#METABOLOMICS WORKBENCH BaiRui_20210330_053635_mwtab.txt DATATRACK_ID:2548 STUDY_ID:ST001746 ANALYSIS_ID:AN002842 PROJECT_ID:000000 VERSION 1 CREATED_ON April 19, 2021, 6:11 pm #PROJECT PR:PROJECT_TITLE Examination of Candidate Differential Metabolites for Lethal Chlorpromazine PR:PROJECT_TITLE Poisoning Using a LC-MS-based Metabolomics Approach in Mice PR:PROJECT_TYPE Original Research PR:PROJECT_SUMMARY Examination of Candidate Differential Metabolites for Lethal Chlorpromazine PR:PROJECT_SUMMARY Poisoning Using a LC-MS-based Metabolomics Approach in Mice PR:INSTITUTE Hebei medical university PR:LAST_NAME rui PR:FIRST_NAME bai PR:ADDRESS china PR:EMAIL 15822925144@163.com PR:PHONE 18522889554 #STUDY ST:STUDY_TITLE Examining the Identified Differential Metabolites in Other Antipsychotics with a ST:STUDY_TITLE High Fatality Frequency ST:STUDY_SUMMARY Examining the Identified Differential Metabolites in Other Antipsychotics with a ST:STUDY_SUMMARY High Fatality Frequency ST:INSTITUTE Hebei medical university ST:LAST_NAME rui ST:FIRST_NAME bai ST:ADDRESS china ST:EMAIL 15822925144@163.com ST:PHONE 18522889554 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #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 - FCS1 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FCS1 SUBJECT_SAMPLE_FACTORS - FCS2 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FCS2 SUBJECT_SAMPLE_FACTORS - FCS3 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FCS3 SUBJECT_SAMPLE_FACTORS - FCS4 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FCS4 SUBJECT_SAMPLE_FACTORS - FCS5 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FCS5 SUBJECT_SAMPLE_FACTORS - MCS1 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MCS1 SUBJECT_SAMPLE_FACTORS - MCS2 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MCS2 SUBJECT_SAMPLE_FACTORS - MCS3 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MCS3 SUBJECT_SAMPLE_FACTORS - MCS4 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MCS4 SUBJECT_SAMPLE_FACTORS - MCS5 Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MCS5 SUBJECT_SAMPLE_FACTORS - FT1 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FT1 SUBJECT_SAMPLE_FACTORS - FT2 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FT2 SUBJECT_SAMPLE_FACTORS - FT3 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FT3 SUBJECT_SAMPLE_FACTORS - FT4 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FT4 SUBJECT_SAMPLE_FACTORS - FT5 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FT5 SUBJECT_SAMPLE_FACTORS - MT1 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MT1 SUBJECT_SAMPLE_FACTORS - MT2 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MT2 SUBJECT_SAMPLE_FACTORS - MT3 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MT3 SUBJECT_SAMPLE_FACTORS - MT4 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MT4 SUBJECT_SAMPLE_FACTORS - MT5 Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MT5 SUBJECT_SAMPLE_FACTORS - FN1 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FN1 SUBJECT_SAMPLE_FACTORS - FN2 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FN2 SUBJECT_SAMPLE_FACTORS - FN3 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FN3 SUBJECT_SAMPLE_FACTORS - FN4 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FN4 SUBJECT_SAMPLE_FACTORS - FN5 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FN5 SUBJECT_SAMPLE_FACTORS - MN1 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MN1 SUBJECT_SAMPLE_FACTORS - MN2 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MN2 SUBJECT_SAMPLE_FACTORS - MN3 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MN3 SUBJECT_SAMPLE_FACTORS - MN4 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MN4 SUBJECT_SAMPLE_FACTORS - MN5 Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MN5 SUBJECT_SAMPLE_FACTORS - FX1 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FX1 SUBJECT_SAMPLE_FACTORS - FX2 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FX2 SUBJECT_SAMPLE_FACTORS - FX3 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FX3 SUBJECT_SAMPLE_FACTORS - FX4 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FX4 SUBJECT_SAMPLE_FACTORS - FX5 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FX5 SUBJECT_SAMPLE_FACTORS - MX1 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MX1 SUBJECT_SAMPLE_FACTORS - MX2 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MX2 SUBJECT_SAMPLE_FACTORS - MX3 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MX3 SUBJECT_SAMPLE_FACTORS - MX4 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MX4 SUBJECT_SAMPLE_FACTORS - MX5 Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MX5 SUBJECT_SAMPLE_FACTORS - FZ1 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FZ1 SUBJECT_SAMPLE_FACTORS - FZ2 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FZ2 SUBJECT_SAMPLE_FACTORS - FZ3 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FZ3 SUBJECT_SAMPLE_FACTORS - FZ4 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FZ4 SUBJECT_SAMPLE_FACTORS - FZ5 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=FZ5 SUBJECT_SAMPLE_FACTORS - MZ1 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MZ1 SUBJECT_SAMPLE_FACTORS - MZ2 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MZ2 SUBJECT_SAMPLE_FACTORS - MZ3 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MZ3 SUBJECT_SAMPLE_FACTORS - MZ4 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MZ4 SUBJECT_SAMPLE_FACTORS - MZ5 Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death RAW_FILE_NAME=MZ5 SUBJECT_SAMPLE_FACTORS - FFS1 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FFS1 SUBJECT_SAMPLE_FACTORS - FFS2 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FFS2 SUBJECT_SAMPLE_FACTORS - FFS3 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FFS3 SUBJECT_SAMPLE_FACTORS - FFS4 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FFS4 SUBJECT_SAMPLE_FACTORS - FFS5 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FFS5 SUBJECT_SAMPLE_FACTORS - MFS1 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MFS1 SUBJECT_SAMPLE_FACTORS - MFS2 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MFS2 SUBJECT_SAMPLE_FACTORS - MFS3 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MFS3 SUBJECT_SAMPLE_FACTORS - MFS4 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MFS4 SUBJECT_SAMPLE_FACTORS - MFS5 Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MFS5 SUBJECT_SAMPLE_FACTORS - FLS1 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FLS1 SUBJECT_SAMPLE_FACTORS - FLS2 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FLS2 SUBJECT_SAMPLE_FACTORS - FLS3 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FLS3 SUBJECT_SAMPLE_FACTORS - FLS4 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FLS4 SUBJECT_SAMPLE_FACTORS - FLS5 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FLS5 SUBJECT_SAMPLE_FACTORS - MLS1 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MLS1 SUBJECT_SAMPLE_FACTORS - MLS2 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MLS2 SUBJECT_SAMPLE_FACTORS - MLS3 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MLS3 SUBJECT_SAMPLE_FACTORS - MLS4 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MLS4 SUBJECT_SAMPLE_FACTORS - MLS5 Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MLS5 SUBJECT_SAMPLE_FACTORS - FOS1 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FOS1 SUBJECT_SAMPLE_FACTORS - FOS2 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FOS2 SUBJECT_SAMPLE_FACTORS - FOS3 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FOS3 SUBJECT_SAMPLE_FACTORS - FOS4 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FOS4 SUBJECT_SAMPLE_FACTORS - FOS5 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=FOS5 SUBJECT_SAMPLE_FACTORS - MOS1 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MOS1 SUBJECT_SAMPLE_FACTORS - MOS2 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MOS2 SUBJECT_SAMPLE_FACTORS - MOS3 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MOS3 SUBJECT_SAMPLE_FACTORS - MOS4 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MOS4 SUBJECT_SAMPLE_FACTORS - MOS5 Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning RAW_FILE_NAME=MOS5 #COLLECTION CO:COLLECTION_SUMMARY blood samples were centrifuged at 5,000 g for 5 min and then centrifuged at CO:COLLECTION_SUMMARY 8,000 g for 5 min at 4°C to obtain plasma. All plasma samples were then CO:COLLECTION_SUMMARY snap-frozen in liquid nitrogen and stored at -80°C. Whole blood samples that CO:COLLECTION_SUMMARY were utilized to access stability were immediately stored at -80 °C following CO:COLLECTION_SUMMARY collection. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY blood samples were centrifuged at 5,000 g for 5 min and then centrifuged at TR:TREATMENT_SUMMARY 8,000 g for 5 min at 4°C to obtain plasma. All plasma samples were then TR:TREATMENT_SUMMARY snap-frozen in liquid nitrogen and stored at -80°C. Whole blood samples that TR:TREATMENT_SUMMARY were utilized to access stability were immediately stored at -80 °C following TR:TREATMENT_SUMMARY collection. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY blood samples were centrifuged at 5,000 g for 5 min and then centrifuged at SP:SAMPLEPREP_SUMMARY 8,000 g for 5 min at 4°C to obtain plasma. All plasma samples were then SP:SAMPLEPREP_SUMMARY snap-frozen in liquid nitrogen and stored at -80°C. Whole blood samples that SP:SAMPLEPREP_SUMMARY were utilized to access stability were immediately stored at -80 °C following SP:SAMPLEPREP_SUMMARY collection. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters Acquity BEH HSS T3 (100 x 2.1mm, 1.8um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples FCS1 FCS2 FCS3 FCS4 FCS5 MCS1 MCS2 MCS3 MCS4 MCS5 FT1 FT2 FT3 FT4 FT5 MT1 MT2 MT3 MT4 MT5 FN1 FN2 FN3 FN4 FN5 MN1 MN2 MN3 MN4 MN5 FX1 FX2 FX3 FX4 FX5 MX1 MX2 MX3 MX4 MX5 FZ1 FZ2 FZ3 FZ4 FZ5 MZ1 MZ2 MZ3 MZ4 MZ5 FFS1 FFS2 FFS3 FFS4 FFS5 MFS1 MFS2 MFS3 MFS4 MFS5 FLS1 FLS2 FLS3 FLS4 FLS5 MLS1 MLS2 MLS3 MLS4 MLS5 FOS1 FOS2 FOS3 FOS4 FOS5 MOS1 MOS2 MOS3 MOS4 MOS5 Factors Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CPZ poisoning | Phenotype 2:Lethal CPZ poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Cervical dislocation | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Drowning | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Hemorrhagic shock | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Mechanical asphyxia | Phenotype 2:Non-drug related death | Phenotype 3:Non-drug related death Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal PER poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal CLO poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1:Lethal OLA poisoning | Phenotype 2:PER, OLA, CLO lethal poisoning | Phenotype 3:CPZ, PER, OLA, CLO lethal poisoning Phenotype 1 Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Cervical dislocation Drowning Drowning Drowning Drowning Drowning Drowning Drowning Drowning Drowning Drowning Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Hemorrhagic shock Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Mechanical asphyxia Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal PER poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal CLO poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Lethal OLA poisoning Phenotype 2 Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Lethal CPZ poisoning Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning PER OLA CLO lethal poisoning Phenotype 3 CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death Non-drug related death CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning CPZ PER OLA CLO lethal poisoning (+)-Calycanthine 66359494.86 55879052.18 66716185.51 64727640.48 65195655.39 19497673.03 44305208.37 36014416.49 55140746.16 37293812.18 5259378.931 2485302.749 6825293.334 5541305.399 2452068.69 6121326.52 1390549.863 8693133.995 466869.8754 7243166.011 21719971.21 37833041.65 32353914.52 44572401.94 36662511.43 17524225.49 8504277.646 17243194.43 18874654.38 16909167.48 34099532.03 32920431.95 23917368.15 19897425.11 26542501.16 31486481.76 35677649.94 29604811.57 30410864.93 29826710.54 41277514.85 33049624.93 7619804.561 39694904.22 31430915.1 22290328.39 25738692.64 30543208.06 24111795.05 28645817.22 59386453.25 63754538.39 68956589.55 78695376.23 70560951.73 50338209.98 52188976.55 76693973.52 58611844.14 46971303.28 54877726.14 62193020.46 50226419.59 51089080.64 62644557.99 54534688.71 29507637.37 51476795.52 19921259.39 44830402.12 27497509.65 63504767.8 38395487.45 38374430.59 35496004.94 23220089.59 35559635.89 29835009.29 38262623.59 42299657.45 (±)-2,6-Dimethyl-5-heptenal 43248910.21 27642884.12 36918161.6 28322137.35 28715866.7 34094968.6 48177856.03 37166135.78 47239399.75 36514685.89 52818389.16 46757454.16 39017058.26 36045222.33 44425541.71 47693140.11 41387513.06 43735334.07 42206450.27 44482283.69 34603724.91 27318325.48 39822579.49 29535563.69 42332926.18 37632794.64 35052289.11 43081033.84 39463088.96 44709253.43 43459728.59 18262965.71 31488941.5 29122179.88 33428329.18 28439436.8 26267423.94 25850111.82 29898113.56 29459912.39 37387374.59 34359548.33 24753642.27 38472148.67 34550349 34316610.37 37087148.68 36857983.56 32928883.79 34900497.36 14639380.87 53390946.93 20881865.24 18723164.73 19471485.42 26038990.35 29881386.25 39956559.05 26048215.75 25203386.96 13125828.59 16875771.98 14419544.4 24568089.48 10803126.1 13071017.69 22297443.79 13453451.13 18160100.64 13871545.49 29380188.63 26731272.47 31138300.47 32297115.59 34791720.73 33404308.18 29094261.1 18438104.85 22064279.25 18602249.05 (±)-2-Hydroxy-4-(methylthio)butanoic acid 1875692.483 1408317.914 2640151.667 1368760.507 1467932.388 1463593.684 3352605.707 2109314.5 2285966.092 2114015.417 1566100.454 1467231.393 3641321.66 2248875.115 1293039.283 2911238.902 3653424.659 2585120.307 1893458.644 2666371.761 1111776.945 963972.291 1254076.519 895654.2791 1260079.63 3151508.221 2929168.73 2579621.503 2007653.662 2747035.14 1289995.182 812129.8307 2608547.784 1733404.264 2922818.806 2107066.803 2647513.339 1714638.356 5770140.139 2273665.081 2196561.897 2581582.474 1620799.178 3560927.361 3377751.98 1992288.707 1826360.441 1824625.839 2087314.702 1928277.124 815482.7039 2275470.123 3011898.81 2880860.311 3090810.225 1961079.934 2412003.259 3198393.265 1857210.172 1731068.09 4109425.478 3264917.172 3198773.645 4457531.636 3453490.652 2374777.276 2889248.347 1512094.381 1420738.27 1809369.407 1483421.605 2173733.364 1771732.724 2188919.591 2678854.627 2025108.253 1765081.844 1516740.368 1972409.309 1597696.556 (±)-Camphoric acid 821651.3447 1542508.746 6116600.629 4134125.47 3857491.708 945080.8314 1059136.834 1409009.327 3425085.706 1469150.304 773461.8286 1122004.953 821976.2747 677713.5535 1093863.403 383288.8165 290855.4008 565910.6744 526722.4535 713165.1962 20320982.67 776942.2906 748339.752 582217.1932 594508.0488 2620751.542 9082077.897 727592.637 617640.0929 733496.7321 170432.0866 378083.1322 333979.64 249669.7179 353746.0188 776433.2824 1701343.016 2150235.163 573779.0184 987144.3243 1451413.175 868766.0835 907659.8972 283592.7843 229378.4298 3052734.792 1128393.477 1848315.936 1533155.597 1584099.75 2813531.658 472412.1116 7236321.492 6868275.927 7470150.933 3910310.309 1390187.83 3065214.834 3849380.835 3926869.874 4760274.256 13896250.05 12554389.68 11451632.89 3974698.996 28170904.4 3260912.5 12975111.59 2291240.372 15645835.88 1349316.065 4278064.178 2469003.901 724502.5204 2396090.443 1641741.439 2086247.656 2722615.344 2753432.916 2521263.809 (±)-Furaneol 632463.3681 641911.8791 1049807.611 271303.4031 1195391.231 935652.1899 1688673.748 1443054.438 274984.3323 337536.8229 463817.7235 488360.7113 451492.1802 409067.0749 578052.7597 316294.8586 506135.1059 466261.2449 505958.7457 653899.2507 1354606.856 666024.9675 777590.9344 609594.2648 783918.7722 449567.0647 1011413.339 764198.172 830934.9382 1066813.471 481916.9316 279601.3141 256723.9358 351880.5414 213288.9546 530782.7039 782195.7224 476252.8502 182389.7383 425057.5572 502826.0708 576213.0628 899084.0181 834862.9321 680278.9211 350106.0033 582616.8379 465110.9865 339180.113 489734.3056 332670.0296 456785.062 525144.5097 534666.1108 484720.1724 638098.8964 1936701.718 483392.8682 604712.6025 865568.4576 360046.8784 702504.0648 651530.7864 641359.0937 455158.1016 352095.8392 503826.3999 548233.1486 717776.5974 244120.7207 472017.9535 560605.0953 911827.2067 473843.9001 778562.7322 181596.368 198580.0469 473916.285 166795.3422 521778.4854 (2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid 14373504.65 21585552.2 19701073.93 37550688.66 39030484.75 186425489.4 89641788.64 143085919.5 76913500.13 140886127.9 11904158.33 7682397.83 11675084.91 9392724.941 7817199.462 111906677.4 215285752.4 181552601.6 188651453.1 183742576.1 12476760.76 16841648.3 27343693.01 17805187.78 27138683 405000961.6 653098796 383802911.9 292009129.2 391500779.1 6824559.408 4874265.929 58335838.42 7149525.171 57852901.21 84297674.33 230180210.9 119837928.7 215217770.5 86230983.2 14031911.19 12835935.35 17769419.03 10773151.03 10669341.01 79649798.95 135210935.1 58532271.38 77175420.54 57758316.56 9458365.035 38116163.29 6785355.004 7348177.794 7144503.328 128017774.6 207123799.7 212068710.6 129578623.1 124728512.4 8789479.013 14511627.88 13628865.54 12388649.14 9342028.847 126122728.1 156398364.3 51687654.75 130289159.3 54598054.54 18365651.37 15784108.99 18222374.87 13353685.15 19575558.26 37775691.29 45993417.34 70021776.98 84923240.43 71225215.72 (R)-3-Hydroxy myristic acid 3969478.84 9364762.409 14995618.25 8665666.987 9096346.865 4086024.951 1479187.562 17966572.06 7493229.101 14781787.29 1924617.995 2279807.571 1984845.854 2161499.668 1611546.917 1075076.836 794036.4921 1606820.459 1778178.228 1502332.19 93554075.41 103636346.8 32385148.27 122199645.7 33071534.77 20981431.89 25262596.85 6887131.193 13000082.88 6352549.966 827509.7428 3784065.22 2988409.061 2513641.004 3076529.974 2131591.892 6885532.951 6011201.655 4174963.625 1906911.894 5402675.27 3724932.854 4544427.187 1515385.622 2047294.656 5974201.165 6473079.707 9237315.029 8795853.458 9404967.325 5535815.802 2696833.046 10807267.72 11242322.71 10460406.47 9354454.015 4110886.834 4444225.009 8294484.164 8850374.614 7954000.281 14077592.31 11611452.68 6062386.477 8264603.717 7492839.59 3636997.592 9190432.045 8426338.612 11708719.91 6317982.468 9952722.987 15382961.69 7993874.118 17163497.81 3132417.089 4514140.684 4639120.544 5710300.961 5488709.469 (R)-3-hydroxybutyrylcarnitine 208268.2777 7637801.4 8632589.259 369149.2916 5804969.021 1328336.271 1016258.758 10562255.68 738110.6987 11024177.4 8421743.378 8324568.773 9094209.378 10412284.47 8396096.146 12535263.54 3669920.927 12151164.48 9462046.011 12936218.67 29937629.86 11471288.32 11973372.59 11507569.01 16623180.54 16261615.28 13597638.19 8188345.932 9931750.033 8923269.19 878226.5496 3233472.098 3226396.303 2263129.119 3517106.303 9606073.474 11124121.28 14575719.43 6566742.116 8897737.714 25078299.57 17549018.66 6359783.751 19573113.25 18430554.55 15629531.18 16175950.63 10716264.77 21536677.87 13676498.32 755799.7259 5833782.993 11282584.26 9788538.499 11833670.37 7381975.505 4376280.572 8160974.9 9396102.023 10587973.58 4849992.23 18233441.16 17388989.24 3294100.319 4704957.274 27717274.45 3753838.408 10820532.72 7787498.303 12038326.06 2726226.254 4060906.083 4808185.838 2704532.516 5001584.229 2805608.147 6066830.235 3605534.081 4441974.54 3508499.516 (R)-3-Hydroxydecanoic acid 1728677.091 4079064.945 4626423.225 4479565.63 4775628.237 2666063.751 1514250.622 6555862.4 3924257.001 6708352.07 11134210.34 15191671.34 15070056.16 12775883.05 14386141.66 10093024.66 5697197.515 8331353.247 8139779.466 9231808.635 49339776.12 29248547.19 16341253.58 31945443.09 16909015.94 18498193.88 16026365.37 8038372.316 8694129.606 9598365.998 4050582.748 3816159.951 4784255.351 5444489.958 5382908.271 2937807.3 3566239.957 2904185.145 4034462.212 2844146.497 5093860.368 2574650.408 1936612.429 1465052.701 1407549.693 9769313.415 11206116.8 7941716.878 11717916.93 8993718.747 4490629.651 3922439.359 6181037.511 6167888.203 6433934.859 3531305.809 3435118.511 3662437.501 4058127.174 3585056.874 10741804.93 12702389.48 10551907.56 8246978.048 10941929.12 5047634.17 5389936.103 6311802.83 4442199.811 6733047.528 6262560.871 7203290.725 9852293.005 10351115.12 10473699.95 5024974.671 5528902.028 5022936.964 6298924.903 6040577.964 (S)-10,16-Dihydroxyhexadecanoic acid 85961.70152 534851.9064 1058659.387 374275.0595 254055.8582 215994.9029 164466.7277 5471665.886 513282.4708 5582381.467 289236.5416 375351.4209 774854.3352 535962.8085 351750.0799 283016.6686 972822.3329 720387.063 633431.5182 687700.5456 6725089.704 8798121.114 2533305.345 8843310.43 1043303.144 877600.4505 1078434.562 471866.9588 463738.1632 428614.1328 419832.3029 256346.0424 493699.461 834520.3441 528681.9036 653759.8637 3264100.518 1582651.916 1358005.046 463948.6837 1413856.305 324212.4303 168885.3775 311456.3846 160652.7614 2430955.13 3245685.503 2311561.535 2920998.37 2580865.142 1785655.041 307895.4535 2899322.195 2777569.201 2691940.461 1906375.412 683940.3418 346849.5986 2313935.514 2518598.817 2611778.221 3162608.504 2910620.041 1673995.351 2635842.739 464520.3743 1095102.464 1650261.842 1700326.412 1554234.872 631868.7688 2418063.453 3562794.261 1230441.552 3202930.231 899446.5755 788368.3493 2085649.854 2227796.38 2480517.04 (S)-9-Hydroxy-10-undecenoic acid 1228448.426 1099143.394 1111146.052 800568.211 683104.5017 277889.9779 262280.4503 134520.9203 266821.5657 402884.7075 420984.9402 741111.9655 755988.224 309802.1727 766547.2786 645563.7063 443706.2467 557128.1691 897081.9234 90693.80241 4402863.233 2875154.706 795547.6805 2553182.296 738116.8655 1648370.621 2781212.987 2144181.991 1619934.21 2431950.944 164788.91 455950.1451 413266.2485 188656.2047 205013.7749 406912.1734 469100.3458 294036.6597 421557.3469 539257.0923 842697.0053 633436.3135 1263853.557 362336.9637 438072.2786 277103.4934 618467.2903 668981.56 390268.3937 515202.5271 903206.5658 188733.3357 821586.9624 784257.0659 761246.5127 759591.2491 388638.1034 143115.9067 840434.9182 628688.3779 1342065.039 2201965.783 2393370.233 774550.9503 1357611.008 495779.1391 318369.2303 635783.7158 107272.0429 766995.1001 615115.6252 1102304.315 957747.0027 339704.1055 1036037.176 220691.4692 93968.08198 138778.5103 149184.4874 836614.7058 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol 14702009.95 14095464.26 15851775.57 14002420.09 11206965.44 11060314.84 16817231.2 15635880.84 16736384.74 17146791.91 23296056.49 19275726.48 22341139.24 21711025.31 19129263.55 22351819.45 16293558.34 15995062.36 26109166.84 18537114.34 43438951.31 13055684.1 18606559.9 13106799.53 13491576.17 57436178.15 54155273.19 56269529.89 44856101.61 51904983.99 55867786.69 43934622.4 52729473.42 56556589.25 44018485.12 16567503.57 49469408.91 52340158.34 42465951.54 20801974.53 41994502.66 49889107.01 56988385.85 54031711.98 57835709.63 61693144.33 56067799.23 72167054.35 41411838.32 58371362.72 23289738.55 23666203.74 14936503.76 12868810.5 12020566.19 22306604.66 15103949.02 15755343.52 18157662.92 25182333.96 18459710.78 15819029.7 18312889.64 15880013.98 19809138.35 18067046.06 16591559.38 19017441.53 12742393.93 20094777.97 25621786.35 14910764.3 10969616.43 17467983.82 12524508.18 26230961.01 17884144.42 22814113.9 25427263.82 26536215.98 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose 4514663.556 5171387.408 3369688.16 5011830.607 5227201.539 2522399.471 11534072.02 10345541.7 13480541.31 5674561.751 3719104.806 3097848.547 3549060.676 4103546.974 4505489.422 3669352.758 7222141.317 4092508.551 4511343.276 4182183.946 1919245.743 2304762.667 5703823.588 2495962.631 6078731.515 2401353.3 1248544.563 6469472.19 3713077.306 6439741.904 8719457.291 5832690.731 7972031.905 8413303.682 8407635.758 6301341.738 1707656.555 2628045.249 3246637.089 7180147.562 9598752.155 6537678.056 4468169.737 8325176.502 8304784.487 1834079.972 2556839.654 4557089.943 1776200.676 5219222.793 1325242.904 11378475.89 5512331.892 5299632.804 4666498.553 2937650.418 10965679.81 11915682.02 2395876.594 942543.6989 3009575.511 1706017.338 1968604.76 5406961.271 2834362.926 577885.2903 2016149.715 1576853.725 4004209.128 1394021.545 3063842.272 2862610.63 5205288.123 4578251.118 5853822.536 4591253.431 6456095.922 5125688.265 5988734.514 7511783.72 10-HDA 7332283.654 13104559.09 12599217.42 12722891.26 13241862.26 4960219.866 8713577.4 12558654.32 11642838.45 12918219.52 37325253.24 43144954.32 45015528.82 30738871.75 48193640.85 19922938.52 25415963.29 21022265.17 20290369.23 19636155.69 76676001.8 62131927.21 59161259.84 56376628.45 67739581.66 35300255.5 20051462.25 33057056.77 33542782.17 35532698.04 24450837.17 11630563.42 22623713.77 23895809.6 24321912.04 4288760.368 4536914.845 6029942.3 6457612.014 5134663.013 14431516.29 6806444.763 5094902.561 6167248.402 5608345.243 17290894.97 20893065.79 20500784.17 14039017.88 21176356.13 7368948.199 21026602.77 19068308.47 20574162.22 17793853.58 10189127.26 11214156.14 10087049.91 8772445.176 9830472.927 24709338.66 24828638.6 20827926.01 27124116.59 26056370.31 4791376.569 10117789.22 9095869.68 8311364.807 10293858.38 17337162.36 14849287.83 25288373.79 35728478.05 29467521.24 8499379.063 11265283.65 15287159.72 15194611.2 13585144.3 10-Nitrolinoleic acid 6732751.276 8114999.753 10072704 9351066.18 9591180.271 6577836.044 6560774.357 10565534.52 7877545.384 10235495.66 18526511.61 11105144.31 12029914.83 12360240.4 12710291.59 12448423.68 9234214.953 7635999.685 17882917.28 8073881.538 8455606.508 6546056.546 8646873.647 7362878.836 11086106.03 11637885.52 18373731.23 13988755.56 10692102.36 10330671.09 12834213.5 10178467.8 10420016.01 13153455.86 9541058.818 18642570.88 14039781.88 23087485.88 14019453.24 17381869.38 7198991.127 15173216.51 17535327.76 14145275.51 9976451.228 12764216.73 13980061.57 15022313.2 7265274.263 13834537.35 11983278.86 20076522.52 9137078.486 9498375.835 11386338.5 17109502.97 10902564.57 8964213.604 12790732.88 17551619.04 17230738.65 10231465.73 12049452.61 10147646.89 19555413.47 14341106.37 16856898.31 15183739.91 8873018.89 16432121.55 18328405.12 11994856.48 15975209 9014897.076 15068513.03 17018032.27 10970847.33 13963572.84 11025288.82 14089814.18 11,12-Epoxyeicosatrienoic acid 1333260.094 809485.4596 2752612.469 5524092.476 4309110.126 11931404.42 2012238.29 22914994.58 4268994.817 24934258.09 13350945.22 1875753.285 1723596.595 1695841.089 1930660.038 961027.6977 740794.7306 1554244.179 803779.1858 1730312.723 8910728.747 3872100.166 2047321.083 2797431.729 1294221.812 17580451.35 8568567.84 2489983.198 2231899.424 2847245.735 14945684.09 54621966.37 57653226.52 28304499.02 49342696.15 188695717.5 266072702.5 209854687.3 113999064.3 208855033.1 4236919.438 10213272.72 7201332.99 20763292.93 20851868.87 5847819.151 11565653.74 15093484.25 11953424.76 16101833.97 524149.156 1055956.516 980149.9764 1016691.017 1180707.961 1751684.585 536027.7827 1266003.113 1469690.412 1487125.305 621358.3229 1124595.121 1365934.022 860982.9599 846293.3149 464185.1043 341293.2942 3927717.307 350338.0766 7419665.047 590739.9711 705365.8402 1683780.264 638250.9894 2067253.231 602195.1286 2617398.394 2086404.261 3255481.294 2448525.482 11-Aminoundecanoic acid 11921369.02 15646332.62 18209421.21 12591200.84 12715116.74 9655375.818 11204890.69 15059622.79 16734552.76 14174202.53 35663581.77 18047321.6 18957784.29 16589103.39 14881781.02 21241487.45 15113523.15 15758414.78 21134059.26 14535747.28 8321861.908 8497252.574 14138329.54 9312939.945 14457587.03 15156315.41 19397498.51 15320651.56 10798606.1 14759375.92 18595742.07 12454802.94 11023017.44 15468227.24 11525333.22 14227197.89 15012907.19 25379679.02 14766884.02 14001537.51 10748838.75 15749218.36 17863601.39 13982942.74 14277310.65 15479644.84 22406324.32 16782702.26 11048075.17 18576096.99 15256538.82 30240947.23 14381677.24 10588324.93 13552099.72 28393137.14 15706731.44 18929896.47 20519600.25 29029632.53 23649507.54 15336588.49 20695568.71 15361187.46 21307009.14 17393988.03 22233425.3 16750534.15 13560240.09 19207641.62 19125507.92 14536954.28 18612151.34 14285140.31 18668043.06 27764527.9 15723790.46 18038696.74 21642442.31 19269089.08 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol 4646278.684 1713192.147 2827638.414 2253901.577 2212732.863 41728.23512 317152.6371 123419.7538 56341.18849 225727.6975 265086.5046 128042.0922 457161.1614 345151.4998 184971.8356 72759.3159 39532.36507 56064.16681 31996.57347 90786.75048 496498.2766 1409348.994 1659853.314 1284086.836 1611461.587 348767.3634 127515.6038 237567.1984 418875.459 224387.5595 1459956.314 1362476.201 800998.1248 894347.0154 667526.2804 87743.10754 119344.6891 135007.8825 115196.7 89237.78719 4228903.269 2239528.292 119574.7374 1871937.376 2229026.27 490294.581 2520528.385 2331684.295 1152756.344 2598526.198 1667239.494 2484631.642 1899054.934 2160879.105 2190107.699 64985.97528 255333.3821 386154.8039 65601.17451 82256.37348 757714.3972 2002930.137 2106622.849 1124828.451 779826.0817 66914.54395 51980.82531 35007.02367 46651.26603 39192.14517 3902179.413 3326420.476 1314355.469 1679209.374 1495414.417 31273.44763 32755.10859 85795.16091 81768.12678 54281.20828 12(S)-HPETE 296561.2777 674423.0566 1135139.223 1711137.134 1677747.031 1650472.813 378379.8826 3258098.382 913182.6279 3638827.519 1513708.458 1345246.965 1254983.11 1484039.599 1380107.336 1309564.043 2204041.515 1090949.763 639781.4435 728904.058 1770045.377 2022701.862 1782419.803 1627286.843 2003822.358 2147606.588 1287806.385 576834.3034 443761.3223 134188.9438 1355834.717 2849571.762 2332290.455 1727830.043 2188006.044 4869046.374 8823939.207 5672840.577 3382411.901 4600285.659 497246.8779 565227.8239 334591.6675 1167919.938 855825.5988 617359.2753 1030825.419 2187844.848 757989.2214 2089030.519 1993217.187 584384.7891 1726204.686 2218479.293 2409256.501 399856.1236 1437309.409 613644.1353 595638.0979 579526.6174 2883128.528 1893783.969 1550675.961 2443065.044 2770402.183 139155.6658 643916.5158 1004489.854 500745.114 923829.8567 1598240.792 1874730.182 2355687.848 1949677.219 3433662.452 508238.034 780451.598 652424.4292 817287.2919 754970.6074 12(S)-Leukotriene B4 319107.5778 1108558.735 1295472.263 1071290.936 1320553.041 557076.028 1009898.991 1627119.939 1006998.769 1017619.038 791971.1251 1003646.881 945327.3651 632198.371 831550.2529 175525.6994 690783.983 896009.5169 490124.7969 572210.123 20763175.32 11879306.49 5576836.255 8704606.112 5655616.066 3183798.054 5936995.597 1349211.247 2202207.313 1460493.256 1303037.775 789610.0555 1038521.023 856107.2776 919082.3085 694488.3673 581859.6774 903064.5377 708017.7668 659071.2038 2528290.565 1461463.905 1196188.697 1634250.852 1451117.062 1042130.398 2087461.858 5906256.884 1235095.876 5753733.158 1822843.461 1275293.793 2572757.532 2273798.659 2312862.248 2519367.953 1013322.175 1337166.365 1816337.999 1628861.928 2240970.291 3240778.536 2945419.532 1710227.386 2127508.379 649238.8989 690866.2329 19224980.73 677537.3625 21209756.45 1067789.103 734990.1739 1727762.669 1128949.694 1903593.84 403875.1294 1057409.371 805056.3853 1460363.626 975553.5744 12,13-DiHODE 33534048.09 71941652.12 99942670.5 88539437.93 87267443.9 52399795.38 37883785.01 198975719.4 77515137.9 163855913 76119169.12 89969217.15 90325297.94 71564102.87 91000089.13 72367688.8 70972653.78 65096680.14 59719570.72 71676342.12 263259097.3 306281746.6 156702622 353449155.7 148274678.3 116239003.8 129124123.3 74121379.2 85433918.7 82291701.25 97723335.01 43587940.82 67148683.98 63220653.48 68115572.12 50541026.45 82439335.24 105108270.6 75623635.26 47120889.93 61907204.63 59430116.77 52227060.5 40734224.72 41510662.87 106088877.3 152475760.3 88744228 103113719.2 100194583.8 120359878.8 84409983.44 98772857.88 143610669.1 104655868.4 143434026.4 102349117.4 59491574.85 126790179 109154832.9 169270953.9 173606414.3 201220266.6 114809022.4 136312870.4 84906742.26 72135593.33 132780624.3 93754610.1 135961876 94919937.96 115733454.1 168649100.8 105639229.2 172530399.8 106617519.6 95825891.88 112699449.5 100010634.6 126394744.6 12-Hydroxydodecanoic acid 8015750.165 17469647.88 31096323.42 16165714.75 17202403.34 6002913.254 1383354.79 46443884.96 16637151.19 46928972.35 4529062.562 4616335.33 4407526.253 3770368.226 4109242.179 2179388.688 1658612.6 3778702.145 3910157.93 3586444.325 214632995.7 286376136.1 108427769.3 272935699.3 104358366.5 56034951.67 61830216.13 21191518.02 34954111.97 21901146.02 1731637.653 6141796.106 5182684.856 5090995.216 5201178.062 5278531.33 22696531.62 14944812.39 8651615.816 5033613.33 9040954.832 6391624.066 7244572.134 2184673.923 2110128.606 12406417.41 14833061.82 15180791.38 17072023.68 15316171.64 14222271.05 3830692.229 29996264.57 26054327.87 29621449.83 22301100.31 8412680.434 7013220.999 25564588.57 22056674.95 24084907.81 41202037.62 34565535.71 14580473.84 28095349.35 26867900.19 10473653.12 26419613.73 18391518.84 28377639.55 12558449.32 26871608.32 42183944.56 13110695.94 39835024.28 10104529.01 13985588.42 14112469.06 15731067.2 15387261.39 12-Hydroxystearic acid 25587544.61 26636161.91 23603343.47 40752043.5 40024922.74 25065525.48 22461228.43 30083029.98 24306650.54 41285412.39 39298674.78 37233109.14 26654138.37 30737035.51 32327334.95 25887394.72 24502187.94 20057557.32 27431153.93 18974089.19 109131128.4 124081089.1 57178544.68 131092592.2 55168564.87 53075868.08 49684150.44 41172594.1 33487656.44 37565119.34 36884146.68 33854064.12 37940157.68 44693118.35 43982074.17 39890289.09 35122955.11 60769669.79 39246457 43402382.45 26777488 38359548.69 31231023.26 32294866.09 36778352.42 41127500.15 57438843.96 45349415.22 44199290.84 53664523.97 31692712.23 35430422.63 26465800.24 25303853.15 28061208.54 39387179.1 29082880.62 30688623.41 37940222.55 36870645.18 49649359.4 55265576.52 88357373.4 33132435.02 42382535 42494570.41 61631789.09 55353590.41 41895657.22 55551473.34 36027533.45 35615487.32 41961434.32 38459679.58 41845299.24 69772739.13 55017905.68 68559584.62 59589858.68 73836149.9 13-HODE 10819220.86 23547884.13 20204095.93 23070883.43 21587171.93 16254411.05 14325022.18 19960733.74 16674889.04 29412139.86 27958198.73 35595875.22 26790732.87 25990202.17 27237120.85 21313646.39 22226319.44 22023298.32 22647722.7 22910178.8 67242710.2 64031106.92 25951331.75 36886783.32 33802365.3 27819976.68 34452468.44 17012563.03 13574965.76 16714077.96 23685399.95 18017731.58 20279036.84 27855875 25316853.97 15586949.67 32721951.45 33364835.31 22937424.36 20200421.66 27795895.4 23569923.5 22577989.18 22405986.78 17248745.95 18271682.27 36025849.77 21529232.95 17068267.65 21286017.27 20871256.7 19703764.13 30936887.7 26184154.84 29302269.48 38561266.99 24888355.76 20031126.94 36389159.7 38771922.61 44246381.01 19747350.36 20324745.43 28334391.59 41715820.26 28495801.76 6722266.383 17447823.68 12747073.6 34733829.5 25263968.02 34006814.17 40139085.06 19249032.4 57625849.2 24094410.08 27835158.61 10485186.69 28861272.49 27974810.48 16-Hydroxy hexadecanoic acid 7541101.511 18891480.23 20105168.27 17151091.58 17477096.32 7566578.487 3155470.263 16445865.16 13343956.64 16079144.3 3517640.404 3762276.776 3727293.402 3800415.135 3374085.348 3282708.5 2044842.234 2546560.559 2591389.372 2994925.764 22567535.68 32635090.15 18948825.44 22421829.86 17771751.04 7827483.817 11125145.49 4388158.569 6073711.269 3762229.29 2677896.35 4292349.721 5221925.829 4884748.21 5091932.39 3824962.961 6086597.638 5532887.212 4765091.257 4146243.22 5839617.614 5989344.675 7292720.764 3369188.292 3580299.766 6298038.391 6969560.506 8577489.89 5953962.869 9254530.77 13927613.79 11463128.91 18906838.31 20972952.18 20596308.82 9959449.478 6703132.766 6921864.236 10422490.34 10904557.34 29296767.11 40953261.96 40307571.04 17912542.45 29345936.74 23007865.32 22207574.24 32610461.05 20275238.3 36507707.79 22774665.68 16317004.93 17184817.77 15821056.41 15176382.03 26189260.31 24663759.96 28236734.47 31003936.23 28578239.92 19,20-DiHDPA 1112210.851 5090356.881 5388502.194 3669811.513 4906217.31 1703286.737 3253727.708 8142082.691 3393446.999 8925881.748 1543613.938 2247455.204 2733477.542 1939625.933 2272876.01 1534342.246 1491482.575 2042782.254 1368255.725 2429055.348 71153163.93 35422615.32 14656000.68 38183743.96 14297177.9 12237128.65 14552632.72 6185841.198 6635968.219 5808000.195 2751844.674 1688413.463 1849507.423 1589846.884 2209443.232 2124702.139 2321228.466 3376404.403 2930040.799 1892184.203 5822964.085 5339157.011 2464170.88 3415372.183 3996755.182 4889331.712 6389994.352 18014092.15 5135122.5 15327302.87 11814306.02 4767515.437 8382025.743 10223440.97 9102644.383 19966371.09 7184532.915 6546663.894 15944136.08 15719592.76 5494085.948 14403892.97 9653891.061 2713121.337 5986122.844 2438681.657 2464632.675 4823325.273 2424576.898 5989480.255 2696374.156 3292146.736 4265141.636 2796193.703 4454244.631 1364656.303 2101564.505 2140319.651 2585656.131 2972030.494 1-Aminocyclopropanecarboxylic acid 13180913.79 17466860.22 15459379.8 13668005.77 16133522.61 10586311.86 18571903.95 5238266.659 11876484.3 7242629.373 17631176.94 12637179.7 10938965.86 10412200.1 16461639.43 9250935.027 7915071.946 8358462.946 11059152.09 10223861.57 12162776.53 14898299.61 9752481.749 10277070.5 14661849.66 12862226.81 9218233.562 10234709.56 20221489.58 7917057.802 9283318.941 6035026.173 9752302.954 12761010.88 8011239.397 6386619.771 9315774.803 10766076.03 5385704.413 7979971.813 12303268.8 9352176.909 15269609.03 18277677.3 11103500.84 14934931.83 13016218.68 13542117.3 13751958.05 12998608.88 9849938.018 7107353.5 14756873.47 19523284.35 15561320.81 6460765.207 10746402.07 6767078.346 6983022.969 7928372.983 2380410.268 5632993.016 4299512.841 9329198.396 5781169.032 8084450.58 4554725.599 5934791.215 7653146.655 6237358.729 8129435.615 6710939.511 8066255.138 8938058.998 8749499.199 5059255.595 4252924.032 3806782.641 2445345.164 5382019.087 1-Arachidonoyl-sn-glycero-3-phosphocholine 2751563371 2490068521 2793229555 2905540388 2987949321 2058100643 2304341570 3897674016 2533201090 3696745376 2611354737 3175596480 2985805464 2545427383 3392930589 2912281686 2505634592 3760243690 3187284749 4096991773 3542307831 4477079254 4564058733 4422703923 4848479829 4059626040 4098319848 4314868572 4365859269 4413366248 2230882369 1815250610 2291753784 2013324199 2249956196 3050090624 2836168103 2530342317 2245825163 2687322659 3134705097 2556757663 2328333694 2270148301 2356496339 3631734411 3042934358 2887201911 2956352334 2940061408 1714269822 2008013165 1789751552 2078463994 1803269755 2028554197 2179422329 2571415357 3023959468 2084961676 3041340311 3801702049 3637449105 2420543481 3124227790 3148254034 1996245520 2089147273 1826202083 2243705762 3325546660 3146301840 3150576337 2500267288 3497692376 1633478174 2011928834 2111933378 1989608981 2046315365 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine 579022403.1 444028518.4 452415246.7 537031496.2 519070650.7 386416642.2 526550272 396377915.8 228612215 374237501.1 348063662.2 442465643.6 453357161 333580350.5 403254745.3 494339577.4 414135074.1 424216896.6 439853609.2 465054739.8 466171003.7 471704518.7 491320893.9 477328179.3 416835295.5 539609654.9 283099732.5 460097222.5 452682375.8 454480011.6 412755503.4 225920281.9 476269933.2 385588660.4 508991914.1 405728307.6 445406493.8 308362008.6 456211398 300272335.6 433343779.7 405038081.4 344231259.1 390671443.2 378578134.7 465478677.7 419290075.6 266136434.2 303718577 261111465.1 314571227.1 599475187.1 603439746.2 669314105.2 545886648.8 500690930.9 330113280.6 387685982 524328864.5 455034460.4 454616594.2 462197870 465080583.5 475476988 446226211.2 454092613 392672625.1 323358599.9 335481191.8 350703433.8 416614243.7 423909029.5 469573372.1 434378438.7 398536606.1 333375061.2 465692629.7 451569620.7 463027484.1 446807069.8 1-Methylhistamine 36770045.48 14855277.51 19091028.02 7066668.199 6471369.828 4044228.782 7011645.678 6971939.715 4936355.043 6295566.82 27707851.2 23970104.77 11124976.48 14995973.42 21893579.27 4546199.972 1166150.176 1087552.218 1136296.5 1115879.611 2159716.979 902522.0048 4613638.846 681547.1782 6000989.148 4388532.911 1460424.959 3174627.21 2299314.687 1922674.802 13233109.27 13601485.72 9680294.622 20936118.91 19339042.71 17451400.43 16709627.11 7852379.095 10951016.09 18084877.78 20154134.01 18165003.7 15822958.56 15138689.28 17760891.64 12892412.42 9209640.159 10171493.2 11008611.47 9907698.28 1474936.452 11398181.89 2816002.85 2610116.523 4061798.692 3008021.965 6003831.773 5076847.301 1777884.576 2730503.843 944833.3533 1359940.441 999257.0934 12596247.2 1052537.251 1209354.625 2793835.679 2233285.46 2982172.229 2203656.822 1261664.183 3194900.46 5765881.445 6195459.497 6417716.199 982338.8985 2791019.871 1808315.473 2933516.98 1979237.531 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine 134061505.4 115236874.4 108500206.2 120404624.8 112327372.3 133124131.9 83777010.46 117240813.1 129050278.3 112633986.3 107528891.8 77578385.79 134246156.5 87928716.44 75844856.46 138183704.5 98871745.72 126250133.2 124756795.4 123286765.5 125580331.7 153314418.9 148098112.5 131194466.4 112956224.9 160727201.2 75224746.14 108256359.9 130051884.5 117541862.4 93196859.55 37149315.5 90935233.47 85270153.28 102757798.9 68339866.57 103772190.3 75629956.37 94689284.06 83274566.38 95299991.77 94153555.37 87396858.92 112040720.4 98182622.26 113756080.3 101949976.3 53312612.3 108874413.6 59778704.4 77432556.56 127251748.8 96127796.15 91493347 84323164.76 137204006.5 164792796.5 226596829.4 158740280.1 157975853.4 132586479 101177412.6 108977388 106189501.3 134163083.6 104897780.8 65162596.6 92949078.54 89819330.82 96980463.16 88730276.67 142802237.4 122359527.2 100811511.2 173119788.5 98836472.14 91442171.32 157300295 105378314.3 90574418.56 2,2'-Iminodipropanol 202876314.4 215053279.1 124661202.1 173580125.1 206369467.3 22879172.85 98556803.96 43917757.02 32861741.28 39572362.54 104488499.8 96323098.34 185220196.6 151484553.3 158905378.1 37254072.14 26517024.16 14693305.99 37021101.04 16470202.64 349318005.5 490739625.6 171712369.9 483321786.1 156020866.5 58403061.48 38887667.23 55501030.16 56527035.49 49634794.84 813411413.8 128792701.3 175591330 272310512 206876927.2 41870896.5 34014164.56 18096282.69 29540919.72 38344222 552563116.4 304973768 181406200.2 429677790 464301043 38695289.16 93098911.44 424349194 35832947.56 430797776.1 51000604.1 622172766.5 81705099.62 91138179.01 102007209.9 32668984.84 40525752.43 89652893.97 21931626.88 37725640.48 257705064.2 42520716.8 47752551.46 409816901.1 226674451.3 12005720.85 27264016.01 10617595.44 43736460.54 12220332.33 252391729.6 613035132.3 366991753.7 564727689.2 307868032.9 21715190 25785083.13 42299162.78 47977961.94 39716429.87 2,4,6-Octatriyn-1-ol 30109912.76 18176375.81 14521179.67 14200361.58 12699341.99 4152099.676 72522179.68 20741313.75 25383726.57 22888023.11 55555026.57 21981583.07 30050513.27 19982218.08 24619834.83 20499820.13 14503309.22 15879707.85 17678248.52 13928329.76 21343924.75 12484811.21 21871712.03 12043678.24 19674755 18159964.75 27944378.61 24634214.86 18709655.83 22843808.4 38150471.82 16565781.48 33789843.22 32809265.96 38986078.35 50279493.22 17209452.05 19703944.52 34665884.87 38949518.89 23165029.2 27935947.06 11900259.15 41023263.41 35122110.56 19079175.32 18409395.06 19472107.54 18518374.76 22268364.86 12115004.86 25778417.18 14263796.73 16333652.73 19636381.49 18899045.49 15628294.61 29032904.72 18188515.72 15812920.43 7865295.314 9503292.915 7487624.85 12432035.75 8501561.349 5784057.882 8980867.599 8031668.226 24790193.48 9509272.14 11064563.82 10152974.21 11941775.45 14527481.98 11327760.1 6780108.723 15541173.49 11842778.63 12161219.84 11889006.09 2,6-Di-tert-butyl-1,4-benzenediol 1291740.594 2432646.509 3203476.889 3518342.418 3158941.933 854908.9396 2420777.734 3128907.63 3583794.731 2727930.485 789608.3222 2078478.358 1794248.492 1479800.979 1041931.327 2926848.01 3774528.164 2607093.525 1863366.936 2697165.594 7152210.434 955733.9226 1478034.456 1602470.777 1462901.547 7866229.045 6468164.006 2329784.701 2032709.184 2743471.248 704420.5794 585971.3422 815746.9078 533892.9649 929172.4575 1565516.84 3081555.644 3500664.049 1712904.549 1361166.044 970112.2774 936933.2419 995701.202 1328437.163 1309623.034 2768762.937 1432706.044 977291.1495 1665830.591 1689873.178 3184910.502 1165682.316 2256556.384 2251118.091 1048363.484 3836720.797 1991808.021 1747751.495 3564810.563 3904449.853 4106365.521 5976401.931 5338438.185 2188087.187 4198375.073 6227583.861 3382407.967 8552925.983 2151130.708 8994898.732 928120.9282 1415077.535 2046707.374 1638948.949 1886990.589 2504588.262 3217920.124 2883105.364 3167848.163 2369711.785 20-Hydroxyeicosatetraenoic acid 97621.86805 150122.4371 109010.0983 713630.9283 97085.57995 453638.6699 192077.5844 369615.7917 156006.8007 1123406.453 400243.6647 430042.2233 570585.8215 322922.6683 398560.4989 153373.9277 45736.56876 266035.1407 375296.2734 264369.9753 9340179.039 4208750.637 2118760.053 7318225.857 550505.7217 1502379.975 3125618.158 492633.9147 347525.4848 248639.1533 254067.0025 171561.7089 188454.0829 219147.1021 431769.0189 914789.0259 672516.4004 611816.4675 770497.5303 762278.8737 612249.3927 185794.2332 226358.1875 526750.8319 382770.0997 303716.7017 1054666.799 248822.1305 247584.2506 1725517.806 194443.527 130397.6265 955436.1618 792198.0689 759573.638 139544.9724 77680.87176 88510.21269 913832.5222 141670.7955 152632.0374 356834.5547 2830083.313 736698.0177 1486492.938 210307.0266 98475.99048 639827.6788 429803.6145 1388589.183 437126.9083 193482.009 1624158.24 561594.3451 578015.5777 447078.0943 286583.9359 478414.0618 379929.6265 442943.3542 2-Acetyl-4-methylpyridine 27425141.3 14721209.46 11124131.09 10963089.9 9361037.771 2107682.044 66816739.11 17537083.21 22464652.89 19826431.72 33521764.81 14876127.08 24175698.2 16096702.71 16077361.07 15516209.97 12438663.6 12925526.33 13428615.66 11320347.56 16926363.64 10315622.61 16959096.8 9759911.5 16248357.54 14391494.92 23376963.52 20404980.36 16694349.25 17564611.31 23403311.37 14225838.42 21825759.99 20417184.55 25084025.09 27243642.45 13943387.01 13788464.98 22297601.12 23689640.81 15397307.92 22607124.56 9660158.296 34106508.7 28624718.9 13176695.44 15614238.9 14604104.1 13376173.51 18419428.29 10407403.77 22250466.31 10579122.93 12720821.19 16281445.89 15056062.09 11593701.92 25576357.92 14503505.68 12289253.17 5947188.789 7591127.166 5713558.83 10278673.81 6404349.828 3759917.869 6770933.329 6428969.428 22408107.99 7502804.286 8501429.193 8096895.375 10264264.53 11958122.03 8959389.059 5555808.389 8444467.608 7975182.559 9887576.433 9280738.098 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin 6819736.263 7568514.946 5958443.619 7284379.331 6484962.356 3986349.618 7897879.694 6837895.287 9565967.934 7324246.557 13143819.01 4994317.776 10183361.15 5384001.549 5423109.069 11494526.72 8225919.92 6951403.345 11559307.19 8514776.326 24016247.02 4436302.453 4538630.206 5006761.46 4496786.862 37629234.17 27127863.8 31009451.81 28234693.87 34480795.15 38901813.67 23670792.09 26433941.93 35953212.42 26027642.88 7805884.386 33885548.11 33366625.69 31015577.36 7717534.636 25733060.21 33080345.12 31949331.31 26049124.73 25508140.38 40992290.38 42725517.79 35235217.54 24944650.26 40430858.42 10230504.14 15328288.95 9076581.279 3516952.48 9330526.829 15614458.41 7780165.686 9348262.397 6702119.974 15417714.43 12415285.11 10271089.37 9130862.365 8887096.007 13045285.02 5982512.079 10909274.62 4785003.385 8237592.827 5279054.44 15733623.04 7489404.932 5114573.26 11248878.54 5398370.954 15182601.7 10209439.97 11973778.35 19339567.9 12978942.67 2-Dodecylbenzenesulfonic acid 38467432.25 39444169.63 46959996.57 37834529.14 35182647.7 20225084.21 27526056.44 38162187.81 31664441.5 36998536.32 29991831.19 9006219.092 12072876.88 55504413.83 8050225.732 28831155.65 50229861.61 28284130.39 58393313.76 38248682.12 26748454 27890128.79 26789041.78 34071084.62 42059675.31 40861907.7 60831313.9 24906096.57 39463398.17 44675547.94 49501491.83 21477643.12 25448690.38 43883172.34 22792123.27 20419372.13 49864778.75 74386980.71 45204365.75 17267168.65 33297482.14 24904479.05 49377815.06 47558219.9 47394454.87 21217857.69 29756218.17 15147041.88 42115728.37 45943705.46 56619647.5 61032053.23 29059956.77 38208447.94 30276126.42 68498241.84 40124580.81 39692636.02 68128409.87 70756339.53 72032486.54 38099389.91 52189518.71 45615279.75 77826252.61 13673399.39 7461424.75 55188856.85 27576095.28 68454165.5 64667715.85 46789853.41 63685165.96 49249738.58 13946917.04 10522154.25 58610299.92 24894770.09 6944641.38 72085561.52 2-Ethyl-4,5-dimethylthiazole 19061958.52 12664649.69 24440027.17 12251412.58 14145571.31 21295087.42 34421588.4 23365909.5 38449179.85 22619053.69 11160591.74 18617315.4 22275357.88 18456920.66 18775145.28 20932738.12 25382897.59 20778422.33 23402975.7 17674108.87 4378823.163 4890499.926 3973120.323 4428295.538 3797741.299 4633801.842 5214446.756 5713786.484 4646013.222 6812380.619 2673832.455 3272770.424 2760063.074 3114405.183 2949469.481 4304081.631 2237471.824 3155847.191 2892199.319 4159157.374 4879079.033 5254759.293 5563287.07 5860511.665 5560475.305 7960194.737 7696551.256 5787612.578 5965706.548 6826331.436 6307039.438 18361852.1 25932972.88 26695229.81 26430013.44 11677883.34 23375670.53 31514667.32 23361649.22 22945374.13 24506333.09 24722609.97 23251060.59 23701199.04 21215355.45 5274273.593 5116385.779 7788795.552 15403569.15 7776629.56 13274264.01 14867708.74 13279966.11 13259100.47 13757438.92 4213072.382 6445128.793 5413694.149 4980343.303 4724965.652 2-Furoic acid 17253340.16 12825032.22 13112892.72 15955225.5 19411464.25 11393795.92 19971852.36 18534454.89 12856301.06 22110702.78 6078074.086 2854608.112 3944774.131 6087156.856 2406100.836 4936748.142 3456525.483 5873270.204 2668574.783 10625405.96 28590147.18 5569247.025 9515102.384 7259942.871 9270532.525 3065725.133 15813827.95 3348835.909 5713395.629 4102816.15 6648632.999 4344077.456 5759222.046 3348380.053 5281793.969 6066389.527 8984771.658 8258051.312 8620252.948 6678755.709 18930078.33 29678935.53 16687630.5 29725277.14 27062492.58 5992896.773 8573713.959 16696325.67 7929285.543 16883589.49 14822737.61 16162798.53 18831279.24 18617554.21 18786860.18 19730149.38 15056957.59 20330033.53 21881235.53 23890341.36 6141511.624 18667926.88 17537462.15 11503666.94 6591263.619 11914847.6 8685815.989 13227414.96 9603127.119 14316213.25 8824080.701 13880723.27 13497531.6 16416892.34 14729237.44 4643550.93 5404413.63 4201669.43 4699789.253 4362216.57 2-Hexenoylcarnitine 95023.44701 435046.0394 424333.2432 191590.8291 269139.0637 1312442.695 2340163.124 1569967.303 1835084.228 1881049.335 123398.6693 114807.3592 94861.3966 64380.90795 126800.839 1034871.939 670063.5222 1357382.823 1247036.079 1120215.527 839892.2041 55269.6463 215931.0948 544313.6565 254352.7867 996105.6687 448089.5496 691615.9345 687895.9888 713071.1208 121556.1114 122991.9188 382780.8435 124755.7447 261683.9481 820304.9982 942631.6284 925440.972 1323186.263 1069480.773 184269.9138 367075.559 627060.7049 401563.1782 438108.6324 980570.4329 933474.1376 556029.5661 656965.2714 537900.1098 164628.9922 446616.3214 329742.9368 365569.1181 347230.7614 2902296.334 2771850.031 1361153.841 2892925.737 2440570.759 229010.6823 340866.3816 434065.6023 228070.2551 223531.4457 2825476.849 5155505.933 1732014.972 1196681.174 1965411.62 148224.2095 281459.0782 247636.0157 309194.8869 293989.7736 974607.0209 356738.7424 825914.0194 888016.223 1082474.275 2-Keto-6-acetamidocaproate 2868698.78 2720667.462 4601798.825 6943310.302 7019489.142 3610635.444 5269937.653 5395607.557 3409063.123 5434940.596 1579192.362 1307427.045 1727537.386 1325077.791 1405718.587 2126424.937 1688315.599 2723531.953 1959880.877 2858896.851 1454333.098 1234854.889 2622052.202 1306034.035 2771443.01 1720267.928 1187570.424 2263013.913 1873662.333 3054918.784 1607214.203 413835.8893 1157078.559 1295416.959 1032313.709 2348354.912 2171515.365 2371787.786 1900514.974 2582631.734 2790735.531 4546019.271 2703825.56 6407846.149 5718110.218 2124319.995 3505687.669 3703356.684 2359765.378 3011811.062 3010757.015 3057613.56 1504029.817 1352395.96 1507871.485 3825246.996 4273194.703 5593434.669 3900637.855 4232041.961 953371.9051 1321244.996 1441274.534 2477574.98 1522286.521 2341627.241 1678948.714 4258991.923 360865.8457 3335525.054 2771635.821 1575308.704 3829059.911 2806168.017 4460393.237 769767.2028 1643332.73 1546461.791 1396249.372 1524222.135 2-Ketobutyric acid 102917822.6 76713086.16 73351054.98 70040157.43 78015818.85 64975051.42 144366968.9 86811676.89 152801565 86432780.24 133427462.5 107773652.3 45656457.6 72226017.29 96064271.68 68753437.1 89696739.37 97750820.91 84944945.8 95680595.2 81640624.51 48084972.59 109480962.7 59136887.11 109327701.6 106721045.7 63034611.03 91474052.95 104389699.8 86428683.11 105961694.8 74355736.76 87878975.31 91932194.01 90542599.36 95137681.21 51056861.74 58321403.82 76702879.4 104179871.1 104028400.9 126146901.8 82999762.02 164236353.5 162054647.4 65441233.69 63152029.44 84864949.92 73297843.55 85433324.9 59900287.12 131790128.5 64238856.57 62044820.04 66499328.42 102896147.3 111086282.4 95278185.4 106170973.7 113028091 41497217.97 59041738.1 56763436.81 62926110.13 52448476.8 65846540.15 60760550.06 69354604.47 66156861.66 60009633.87 68336276.7 62214100.09 82956969.39 78167099.99 83613340.35 58472213.06 78842042.39 77923511.82 58442339.69 72615149.89 2-Methyl-5-nitroaniline 60800534.57 88529980.58 92179721.31 104192772.7 130547860.1 28403107.89 47933746.1 61694309.4 73101777.87 63742838.06 20632351.73 39876039.23 42214567.82 42574348.07 31302967.34 25021847.62 40245977.57 39189982.94 27774998.34 45756524.75 124236454.3 64860057.62 60029296.65 52604283.93 47760933.49 170470396.9 43186649.74 40172680.25 38616002.44 37302406.46 29315050.04 55331660.4 32704245.9 29556438.09 31109491.55 25875680.9 34949811.95 24662875.41 39861350.31 37659653.43 57949491.06 64228333.45 76206590.51 87370418.46 114247547.9 21705731.56 46875171.42 84008503.58 18858434.22 82113221.42 52184098.32 80268055.84 111814319.6 114940191.9 99969670.3 38170302.15 41602368.53 45646383.11 32550406.99 38385583.27 65429283.91 108107055.2 95652246.29 45683123.32 60793631.59 79087190.97 23850037.79 42689236.74 25593026.68 43279090.4 59746524.09 50045890.98 72993266.5 72413138.56 74746107.49 18720628.79 19624692.73 18301474.43 20226098.42 19633291.11 2-Octanamidoacetic acid 4660581.142 12152640.59 21695452.05 13089715.21 16112695.58 18252968.12 18630857.71 73303390.25 19675345.67 76900456.62 1887376.988 3072397.39 5888420.139 4430175.761 2467217.777 3477180.248 6772005.755 11402687.82 11476379.21 9747808.816 49062829.3 21646262.11 22849423.41 24116768.86 23053757.8 31077235.29 72796735.66 17801763.4 18696655.31 20706773.26 876802.541 3608386.927 4211555.686 2572497.648 3974484.906 9702093.905 21603422.43 26466383.95 9698348.063 9888600.96 21010154.64 12974812.93 4152980.667 10681807.67 11190419.32 18959118.98 12716497.33 19300327.08 29854622.37 18635451.16 14930190.4 18655355.45 16740507.06 16720265.42 15581297.62 36795863.38 26019136.39 12416065.69 38269557.9 33813156.23 37455283.76 46222736.91 43531061.52 8964524.95 34599369.31 98301825.1 17965575.94 74894565.57 29867487.79 72767287.03 10172536.72 16889944.49 39549304.52 12338114.33 41447245.74 27876843.43 13302872.08 22461577.09 22556446.87 23535113.36 2-Oxoglutaric acid 107486118.1 99271968.89 84492738.85 79721786.02 80583107.5 116327798.9 108286387.4 154208237.1 118069163 152865953.6 63799553.46 39479644.27 40331331.18 44839677.87 36380873.12 89660789.55 132671394.3 133598548.7 88630316.18 155225983.6 11493337.05 5244589.882 13384046.42 6210860.22 15253752.13 9490986.355 14862414.4 10039512.7 11251007.89 9590038.189 65821584.87 14889960.59 36799259.38 28354619.28 37892224.17 50981465.33 54579461.68 55776037.47 58085794.86 56105890.97 119422075.7 127078768.1 47363714.32 150771606.4 175677536.2 71323772.25 81968858.33 104718586.5 74259201.93 118925051.9 134587905.3 120970095.4 122114755.6 128914302.2 133710701.3 206967800 181052829.6 206567602.9 175429327.2 176018991.7 48661123.36 62908824.32 81792683.65 87203250.81 48310882.83 129308512.5 104909380.1 131404754.9 108144288.5 134368762.2 123141761.6 92921104.56 77017341.86 97256190.46 66512210.61 103164795.9 138760987.2 132459431.7 160548185.1 148137412.8 2-tert-Butyl-1,4-benzenediol 2962774.319 3525926.018 6311433.308 6419623.572 6773181.448 2530872.838 3813350.166 4618896.6 5315913.789 3587953.17 3728101.588 4854833.903 4630404.427 3419657.862 4088098.804 3284034.011 4667030.911 3601560.749 2769964.936 3488862.54 10499073.12 4656457.759 5953186.104 4960615.114 6028240.008 5546142.809 5870243.532 3113859.777 3236646.526 3006403.625 3615359.233 1682452.681 3327820.731 3479185.077 3026971.015 1571631.117 1551250.525 2252950.971 2166583.259 1783005.659 2962024.05 2009222.657 2209356.402 1850280.199 2235048.861 2164926.171 2574426.179 3145621.715 1823887.181 3464209.586 3902245.753 5551040.135 6476215.229 6458178.503 5123634.596 3008128.541 3470825.333 3592773.664 2567619.295 4179295.813 7818177.822 11395082.63 11336782.61 6198451.831 6626485.876 3437869.47 2160768.996 5998743.768 1904447.953 6423333.494 4630638.205 8193465.646 7809769.693 6001693.09 8855920.945 2706205.938 2932934.657 3586975.928 3733939.347 3519990.153 2-Tetrahydrothiopheneacetic acid 2273241.439 4138889.12 8983183.033 7034207.559 6020037.609 1867321.395 3435757.721 3235863.755 3964491.983 1228209.969 957933.4373 615944.2644 635791.2917 1209572.746 916198.5395 1282197.013 1409352.692 1278851.983 945937.0652 1079234.527 3646759.087 446638.6958 663782.2983 734294.0231 394418.3713 776697.5181 2452104.583 793829.4432 730656.4648 520481.8606 248935.2802 1089855.861 1341621.787 792112.7974 905867.2403 1121570.495 2428322.502 2090798.688 1602210.929 928588.385 1452245.052 3637832.924 3158425.856 4587094.502 4123695.739 1548849.975 1963017.503 1598390.29 1781506.336 1859617.891 2016204.45 1861545.452 4690339.72 3065587.519 2377080.355 5900604.668 3154603.427 2701381.62 10183069.71 5988795.925 3129072.404 8599085.486 8953152.375 1037184.338 2434628.118 11671472.67 1807903.94 6885218.745 2466542.766 7681740.956 1636006.26 2009536.127 1825770.517 1283497.753 2113867.639 1320794.173 1524400.278 1498441.81 1406181.297 868768.1274 3, 5-Tetradecadiencarnitine 6989952.249 10046018.98 21851116.19 12753753.41 12207281.22 7911371.589 2534163.248 24087459.91 12476608.58 23253729.04 5497511.775 5720662.854 8069226.285 5936886.434 5059084.45 3606990.248 1362917.172 3690811.371 4632977.191 3485544.033 20333521.42 17302098.18 7035870.339 25387135.99 10282299.98 19628696.45 15333586.29 4825459.912 5501776.72 5620298.48 1918246.998 2190681.333 3063947.881 3233432.902 3397101.572 3821262.263 10685263.21 9323735.499 5857412.866 3832188.43 8176355.352 3725035.258 4249838.61 3095440.988 2008872.999 8002714.018 7669313.388 7913904.441 7586457.787 7143463.364 12796288.32 3027737.217 9239689.798 10268007.78 9380506.075 18313997.29 5549192.745 6510322.223 19540018.07 18071370.2 27416455.65 22364587.92 33968912.46 8246178.032 24644731.54 37278284.28 6877624.444 12768026.94 10322085.24 14864344.07 10887445.14 19842018.72 38227333.31 6991777.932 40361959.57 6599506.028 8962817.87 8465259.225 6545287.179 8700355.233 3,5-Dihydroxybenzoic acid 12414610.37 16950497.99 14666154.17 28046925.23 28166148.2 9583712.386 32169702.53 17903652.77 40285686.88 17684810.22 15076418.71 13059409.54 12378982.23 13887359.07 13713303.22 24131590.62 32260536.91 13077247.17 20394500.95 14189414.68 15584669.3 29381322.46 15611396.59 21644380.95 17604995.01 10303207.04 11759540.17 19979894.68 29033011.54 29278748.98 29490463.27 10055032.39 14546691.96 12666370.27 22151901.68 16534849.67 9088595.828 13145588.67 13365991.27 16432794.45 18215067.75 40188168.3 23773661.37 55278322.94 36166665.57 6236613.761 18611801.33 29467821.8 9188554.311 17220739 1820220.895 26848032.07 6716418.013 7269270.05 7305170.029 4859454.995 24228417.17 33855693.55 5442907.82 5798556.237 14914131.55 9385407.034 8954488.866 21807560.06 14701561.18 2872995.995 21887146.27 5872518.773 17079953.55 6047268.654 11818356.3 15379504.24 19574009.97 36540202.05 20416374.1 26017048.09 28588425.4 31292689.98 33778511.06 26476593.7 3-Carboxy-4-methyl-5-propyl-2-furanpropionate 250829.7627 760040.9347 549430.4858 800813.3931 828832.2904 251337.5034 695800.458 611264.6432 755090.1842 723190.9381 557805.0565 706934.5993 793526.2137 634290.1779 708406.1117 958972.4345 1119519.691 885996.2266 719139.1421 717833.4753 59566.02379 136227.3286 60270.52132 52132.55559 155244.8543 42605.60307 42538.99249 195086.8189 182346.2553 287470.9211 44228.6652 41331.04518 139507.0275 114805.4208 141863.3197 145817.5599 39825.24694 40407.38809 41565.59268 41912.3698 216504.1654 239612.2128 130571.6979 378617.0118 254953.0399 116466.4378 205160.8814 48575.9085 109777.225 69355.51656 610183.1424 1255220.797 950374.4839 990052.2361 1088036.193 363802.6533 584287.9543 695369.8238 344573.3993 437325.8724 901343.3938 465942.7848 413825.0405 717324.9926 814385.5194 40104.88889 32041.16841 39491.81754 28155.16438 39213.8038 935196.5946 616436.3892 1119655.306 1046451.963 1038548.108 35899.3211 49987.15797 40401.36411 37392.32987 37676.96713 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid 2895204.727 3611643.11 3741193.627 5096246.606 5121630.338 2536916.245 6132054.615 3308455.208 4673573.452 4096129.357 3477256.37 2622067.262 3053186.797 3371310.432 2760590.665 4178523.382 4729041.94 3563621.565 3610132.168 3906276.017 1614023.003 1969503.089 1654810.708 1752625.754 1654376.606 2457228.671 1763679.368 2267842.707 1841915.498 2285062.025 4225236.367 3094375.308 3658722.976 3916540.246 4332793.64 3116939.407 3949338.261 3945546.076 4775539.927 3301016.798 3356892.223 3967656.623 3316619.344 3933485.553 4365159.225 1813234.652 3032459.536 2987986.518 1586678.621 2583418.102 1611188.554 6159275.531 3712074.688 2267994.697 3293395.934 4479861.353 4828074.204 5369529.13 5076597.576 5167055.247 3457319.06 4298659.777 3071660.549 3884774.473 3913121.37 2398137.253 4038908.529 3932875.77 5336653.788 3755158.876 3535049.908 4638232.689 3122477.926 4103020.822 2990816.566 4279344.989 6233232.021 4417897.428 5583192.917 4458697.963 3-Hydroxymethylglutaric acid 14409387.35 24466666.91 24437637.2 18792216.45 20297930.24 10054457.26 32801830.01 19622110.42 26213712.46 18615954.96 6394957.404 6938309.094 10782208.32 4909901.929 9013406.025 4084284.732 4600941.703 4450108.476 3385574.365 12703759.47 45868237.33 15552656.4 5893283.286 15752461.62 5599727.589 18643436.17 23873036.79 5761454.124 6531694.297 19981143.36 10479023.55 2935206.391 2163299.254 3366154.965 8282679.853 1445855.023 5676763.393 7901196.597 18832238.54 2643560.648 24231062.04 20066268.37 11144627.63 32728501.72 16670219.56 8280249.385 18804483.24 20038448.37 13770880.73 12726644.01 15529891.19 51093542.77 34195326.27 31217026.76 30619257.44 27619633.34 18084834.86 28491205.84 38476018.09 34502001.56 7597169.452 27617659.74 24934107.73 8390303.198 7028738.123 71924153.54 9658990.616 34020908.67 18328229.45 26343362.63 9930702.382 9171269.918 7740550.995 11257096.77 6879961.224 11735455.54 7009612.054 9731772.833 6234741.364 9649621.511 3-Hydroxysebacic acid 20429316.35 20089947.75 19361538.34 23122285.25 23084189.75 16104050.52 24891884.08 23663385.01 25825488.68 25458946.29 41107097.75 29492504.42 37163481.7 27632594.86 25929148.83 32560152.48 27824177.76 28242259.89 38321612.68 27539807.74 15659080.03 20912755 25590571.24 21855494.97 23525683.09 28233015.21 29107644.72 18244931.44 22822228.2 18128956.65 22417394.6 14965622.02 20395888.92 28181934.27 22368732.06 27691838.47 26182917.47 35316966.01 20974647.45 26745308.63 19594248.23 22957991.25 30308342.04 23896192.42 22373076.32 24515509.92 36355201.4 21130573.25 22070477.05 24257670.02 28070134.18 25349780.23 17130189.13 17451781.23 18507794.65 29820458.91 24397144.08 19559126.24 24445535.22 31020538.1 39338222.96 27970852.13 26474483.86 25002809.56 33543344.75 26406432.38 25932926.35 28893729.44 26251095.68 32390811.39 36747358.95 28416790.24 21328897.2 24546278.07 21148399.23 40808939.24 25293801.78 32737539.74 40404131.4 28792179.84 3-Hydroxytetradecanedioic acid 1513346.952 2085866.241 3321719.637 3347190.994 3351706.533 1913469.099 6925815.228 3671270.097 3056642.876 4058739.232 12458373.12 12143740.55 12648449.46 10459306.56 12145657.55 7522915.342 6757323.422 6021611.086 5810422.647 6058036.646 37477637.08 33520639.04 47004430.31 37437692.91 52159445.16 16480291.88 5291629.051 10457051.7 17769431.05 10327446.69 7842095.151 1333583.152 3394870.343 3668452.064 4231479.696 828088.5808 812301.3964 1098737.217 1707392.054 1025000.078 8717752.889 4680364.777 2793393.394 8013161.882 7610288.604 3252826.278 4654907.085 16505211.04 3184843.228 17243674.6 2747991.896 7579862.083 4122930.176 3834166.097 4380398.384 1845824.594 1227741.858 3117684.888 2053433.721 1686931.36 9040955.051 12478553.37 10353435.83 5592195.114 10792355.85 3014477.975 1912718.385 2749358.956 1078255.26 3170946.926 4522608.408 4039538.261 12319745.73 10836450.4 12424780.44 1773208.99 4674369.426 3118518.986 3750652.051 3290483.031 3-Hydroxytetradecanoyl carnitine 1421604.498 2406365.761 738767.8018 3384865.3 3368451.343 1475456.693 599109.3331 881900.1647 626070.5763 819731.2242 947464.5296 575255.8951 1745294.416 874409.699 395299.1729 1654612.764 379859.9681 895664.6676 1863144.048 979485.7637 27423045.45 16647905.22 5787656.473 15804195.85 7245699.877 11833182.12 31866601.12 3073137.249 358386.2449 2779898.642 364649.4041 297796.2913 314179.4652 342999.7181 315945.3722 244830.5399 1991409.622 1611242.361 358177.3193 264598.7639 1187399.896 396341.5866 401060.0961 396826.3536 463415.9937 431513.3367 1128756.904 384529.4728 1875030.067 397598.1846 3038129.774 794781.8355 988962.8503 999037.3912 876989.7692 2788701.771 925394.4396 721400.9178 3447377.122 3239435.35 8226949.135 21159769.7 20493711.92 5007343.509 8012115.46 23653581.93 4545209.796 7908439.706 4033538.183 8696876.039 3903172.886 6247604.15 8445586.856 2412430.037 8951146.669 2481474.621 2100904.118 3463044.463 3074502.556 3526607.234 3-Mercaptohexyl butyrate 37411809.22 27164441.95 46433503.56 21793712.55 24616331.5 36394329.64 55615316.01 44901552.13 47817656.28 38030866.99 95405243.33 100764228.9 105535637.5 91301111.59 97666159.76 111065340 112496476.9 125008199 106211994.2 120064584.2 107175727.1 103764008.9 111544881.7 99746101.91 145797106.3 109350368.6 65311155.63 78914300.45 91933643.5 86499369.41 54877424.63 45703311.12 60560907.8 70096694.16 71850410.47 58915732.07 83960377.2 98550248.84 70835826.65 67113663.08 124261160.3 101364113.8 58926780.51 89294287.61 90832867.49 71841306.4 74487446.73 65338145.79 92983965.61 71252610.32 52470140.14 26264105.58 54258246.1 57212381.45 59776087.22 62660549.88 42576433.69 33189660.79 53708037.14 50654883.45 51725464.7 88637212.32 73113433.33 50724243.81 55986730.64 136009364.4 58129434.11 97379504.93 49358326.36 120285785.2 29214365.22 34210849.05 59198733.21 31874770.09 59254696.12 41111017.19 51765110.77 43981680.83 48023350.64 43657516.16 3-Methylcyclohexanethiol 1562581.141 1441874.456 1635939.362 1732315.791 2738198.905 1281461.357 1960892.848 1184926.881 1835526.506 1533031.339 947262.6525 664935.2564 946990.1631 866686.1228 791653.6874 1227136.765 1906271.273 1345358.051 1404397.055 2105126.351 1101428.434 483340.1537 999183.1662 673075.6853 987866.8088 255641.9269 675262.4261 538117.2887 726904.8049 954918.5367 527877.4114 740976.1653 1463517.207 982621.6076 1341498.429 805663.9793 170855.1424 1547577.412 1561131.551 1452418.754 1039324.165 789002.7673 1248467.231 1105204.501 1458411.894 1449915.946 1197261.581 1351303.767 1146886.177 1312264.062 1136127.091 1374973.882 1572000.548 1371378.599 1387635.064 1854379.765 1519727.477 1313988.472 1526167.918 1132648.379 518550.3117 2019459.005 1813553.152 1528986.459 1157760.26 1275272.2 952972.2322 651643.2131 1458810.287 1342697.437 1829499.631 2509033.859 1403025.827 575073.9149 1763152.584 1301792.966 510747.8302 1254659.809 1556205.947 1514267.523 3-Oxotetradecanoic acid 23496257.07 49631082.09 149650381.9 65188748.65 66669809.37 12692040.62 5740818.548 104942249.2 32594308 104251963.9 15827848.65 8299121.192 11571469.55 10521010.05 8691218.006 2191671.839 1758832.392 6736929.369 3361982.678 5365046.88 893030593.4 124788765 133479545.7 530927036.1 114713757 344229956.1 466739617.8 55035766.5 61010640.67 58686199.13 2949675.532 15262471.46 13122669.58 8765491.756 11281446.01 7387247.073 52699638.59 34827304.56 15866571.93 7801735.563 34392921.1 14704460.88 13292802.78 4780184.793 5345470.73 23350594.48 32480182.73 52345394.57 40228802.58 69141376.05 97059787.53 8626366.155 80859146.59 86621333.89 93763759.31 59603300.96 16511967.59 14104513.39 58690381.45 58891384.16 114348587.9 215935225.9 238435986.6 70665166.61 99641696.56 135382699 33241131.29 77086878.2 34988896.58 92922958.16 53746026.49 113304665.5 176434708 34279640.6 168600158.7 20040036.81 24312152 28109119.12 29057526.04 36432783.25 3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile 264144.3054 257943.7535 266775.5218 249338.5746 234922.4919 303464.7981 297870.0915 294669.5188 283809.9074 284297.9631 68907.95929 67739.5611 77002.95194 69061.2461 63924.51093 85236.10119 70670.61231 77183.67681 73218.11144 70419.59513 123661.028 124731.4476 120276.9954 120909.8176 114810.1346 126604.1461 266053.1747 587579.2554 116163.2088 766331.2664 155231.688 112792.7778 187412.4737 120413.1364 157988.0408 580084.5306 117610.5009 378125.2836 881120.5414 531245.5093 118944.4264 326051.8253 572783.2838 160797.1198 126217.6648 132307.5018 154333.735 129873.6533 164251.1593 117989.2175 341042.7102 345056.3052 336329.5024 319797.4527 325823.1758 449352.9872 376340.8157 365838.179 359841.3969 348057.336 78852.95424 1376261.874 75215.86502 80371.33801 70373.51203 70177.42658 72913.76834 76124.03984 71269.75678 123869.4557 182029846.3 168587277.3 147260812.7 152916903.7 158459302.4 119550849.1 133856170.6 129424517.7 128890382.3 135617568.3 3-Tert-Butyladipic acid 22871200.67 22304563.59 30241124.2 37986383.71 38512698.69 31285661.29 61360928.21 71667112.27 79290285.73 79669932.66 20284669.14 21547184.67 20890392.21 15841777.78 20258011.59 32503472.4 31571355.67 32717964.45 37767071.07 31625466.83 32085297.44 69488200.02 39206229.45 81413102.26 36000029.95 50306214.78 95613683.81 30832515.22 30216723.58 33711573.24 18067364.13 13527384.21 14905327.41 20273961.91 18325699.83 20882982.66 19939980.91 44154578.65 16644982.1 28225945.37 31765573.68 39451547.74 35074997.78 65324935.12 59979227.43 39379773.43 29288973.67 32879118.39 28364096.62 36659046.25 18339420.1 39190072.88 25993293.25 26289271.46 27747255.85 65300593.06 52358361.71 85315665.31 69797309.5 67096084.42 30659250.47 48912647.01 45282819.19 28329011.52 33832203.38 105071409.2 57501897.59 89528554.89 28856975.19 95375228.13 18597217.97 21069680.22 21585060.93 36064395.44 24704893.54 26236492.83 39655051.22 38645435.29 40734430.61 38049923.23 4-Guanidinobutanoic acid 2318019.178 5363606.622 2947500.263 3304895.264 3290842.573 157666.2824 16628111.01 6589482.386 5008310.436 7259664.501 7054419.357 5498702.457 6776256.312 7784324.415 4526706.785 12840597.16 18912903.47 17190416.09 10135889.36 20053190.9 3349163.632 2742331.389 11987838.95 2418731.943 12171088.02 4522609.677 1348565.876 3774396.771 4878428.049 3549173.642 11383669.31 4744989.045 5674713.412 6728323.926 5112487.129 3657475.743 1719696.929 2763103.477 3067717.723 3618490.568 26796283.46 24046427.66 5423155.047 24343974.44 27540846.8 2823018.584 13546020.98 21238768.75 6641217.684 19275868.66 2536325.121 10568746.74 5212212.034 6827828.094 6326200.291 9791339.239 8974939.201 6251740.759 9678498.865 9446913.106 1898091.724 3179383.588 2320190.529 3611044.967 1967572.884 1025196.854 3943257.572 3403530.708 4208516.756 3838123.486 2543897.07 1108888.007 3126437.629 3633832.978 3098716.961 3354965.223 5535824.738 3950260.099 4309940.956 3270714.515 4-Hydroxy-5-methyl-3(2H)-thiophenone 11412496.55 6341088.06 12848285.8 5564174.487 9802124.107 14189802.29 15706043.69 5578854.921 9140804.03 7964194.192 4996674.116 6982566.362 4448307.501 3714676.122 4971334.961 4843387.152 5974414.886 4671196.402 6764587.179 8707173.302 7027140.533 5543479.792 7884800.126 4175998.3 7803118.154 7387933.618 4814347.126 8079373.25 6499969.772 7134441.155 5535517.855 9846650.96 5406237.064 8093562.17 5334303.999 5863763.025 3565782.664 4135134.819 7702945.115 7351572.176 6814752.828 6948690.896 4256635.485 5465892.729 4277382.821 6615390.832 5444224.98 5354328.285 4483377.06 5825344.636 11882392.26 6422351.556 5954758.012 4544588.349 3459748.834 5153493.023 5410060.201 5717555.332 7493633.719 7315199.415 5442936.406 6509038.573 5679156.541 8169850.232 7170691.277 6360245.137 7700991.47 5154223.184 14146496.02 5059801.012 7197583.201 7761630.075 7598542.546 9416830.812 9509585.849 7808128.083 5795157.491 7515570.382 6165854.912 8524756.275 4-Hydroxybenzenesulfonic acid 39493388.21 77422837.77 51345622.76 98191592.64 104611794 129716774.1 149925636.4 334921257.2 200916356.4 325157614.4 105055.2374 87427.32794 97377.58773 76269.43256 83968.48034 91541.46247 75604.65774 143155697.3 138594.0695 117082.6857 179086023.5 245974924.8 123628420.1 284817589.3 134039327.1 121924328.7 137195008.8 215795493.2 185348551.6 222939809.5 59598274.17 112269.8521 73585985.33 87387729.78 74917216.08 83733051.37 194445299.6 75674605.86 25937092.34 78577071.52 212278880 151347968.1 223385783.9 240637841.1 252960474.4 67740583.81 75361817.51 111979745.5 52358300.15 120618116.1 11928217.39 117643165.6 97052870.78 104042468.7 100913031.5 74659411.22 228717288.4 296453683 83879872.92 86206583.63 84364.14232 94991.02956 93454.65968 95713.22132 90800.98583 138536.5904 97359.20584 98563.25034 101357.0657 91954.37726 53574328.53 20628287.04 127743685.4 107616.6534 113409.5699 89365.48774 73667093.39 96786.75392 107213.6137 63946636.98 4-Hydroxycinnamic acid 291954501.8 215789160.5 173100991.8 135198401.8 137342951.5 12643892.41 672192531.4 266976188 317351672.9 278571044 297151642.1 148545106.1 191779013.7 241052534.4 163569762.7 203595083.8 204115967.4 233282034.5 230025963.2 236070753 219707725 114603114.4 231430692.5 112143673.5 205719341.4 195417197.1 264134048.5 226317508.6 253833368.2 290056637.6 177433746.7 228779045.1 145502515.5 146569884 197311911 200936527.3 164925376.3 121645272 174578859.8 194499305.8 198274472.4 271892916.1 174956741.7 226869751.9 279570721.4 136910494.8 160056683.5 176531726.7 131067719.6 169755895.3 172594989.9 316172783.5 173633961.2 180260179.4 147453462.1 199829654.3 164017697.1 303336236.2 180669743.3 177771318.7 101363768.7 152166645.6 79221988.69 173544325.4 103205969 97442967.95 109005661.9 118232518.2 241216582 113747312.5 123217581.3 108930827.6 158207316.7 150115519.6 150750669.6 103544896.3 97244149.87 88794444.42 138656223.3 118921211.5 4-Indolecarbaldehyde 21012283.06 13846987.49 32473063.61 65215012.56 63399140.48 82671889.42 162110431.2 187552847.3 25585886.07 186053867.1 31813629.44 21163081.02 30007149.45 25174661.78 22138546.18 93861702 141465807.7 67300815.24 69090027.75 70370266.34 108305202.3 87497735.85 97401785.29 92526280.2 99485020.73 54026178.66 68947663.23 50598200.17 59582318.32 53935460.81 45506501.52 36776651.72 43448337.24 36379941.03 41571218.76 68332027.63 72747929.96 52759564.19 45668210.18 72347801.33 122520319.6 183860871.4 143927742.9 238252975 253848063.2 45069309.54 44873454.25 77922367.85 56660885.88 74338999.97 12372813.33 43558032.94 33456593.53 29336511.37 31737436.75 27495050.69 137555411.3 337918769.4 24845653.52 22482787.83 21599370.43 20519624.21 18187783.59 39020051.14 24292227.85 33411745.29 84949918.64 59802707.43 63207879.73 63232769.27 27614175.43 16952962.86 47214160.15 98984795.76 44935512.11 70055807.41 139956367.3 68975912.05 75997881.06 78374198.5 4-Methylene-L-glutamine 95051307.78 95254303.56 83290623.4 100232155.4 104922386.8 91266540.62 198828925.2 101998714.1 129947801.9 99142644.17 164734383 119273861.1 114182184.5 134906991 120383079.1 166756268.6 174494682.3 101272763.8 149747164.1 46890326.07 57131828.11 103987315.4 78894118.45 140044373.3 75062455.99 107004812.1 44399484.57 43705396.75 53065110.33 107944180.2 56973871.55 120217326.3 120666883.6 114496764.3 41394815.58 124386172 61125164.64 62757487.28 94077163.45 81678778.79 52925100.18 252302584 141539589.7 75278840.19 76693490.23 70974896.54 73566310.7 79779872.26 69050078.3 108943080.9 85824036.53 64042174.35 105111503.7 65511171.95 75941296.31 75745762.84 127159851.8 190279350.5 85612698.84 79158684.77 61451486.5 47098621.58 71253324.06 113316468 97616388.18 46922448.51 50851481.03 64039191.09 50818030.98 42042592.69 79822701.07 82871908.24 99465157.93 52666475.18 104930687.9 58596500.8 107991456.3 65022206.13 70141688.06 67152040.18 4-Oxo-L-proline 55712266.88 79739674.49 81052611.55 80974851.66 94126302.59 69428573.05 86506284.21 169441092.9 54837588.77 167753114.6 70052872.08 54395346.44 70416330.49 67681166.65 49340799.09 46391540.5 55400833 71759578.68 58573547.43 78211787.06 95885466.57 58945588.56 52417422.96 59551626.9 61579010.28 94220613.59 83467736.95 107656686.1 84919853.45 106527233 134442500.7 56295385.66 109811010.4 99937242.68 103404983.1 94674520.95 112515131 148354528.1 121357252.2 86355141.16 104580639.1 82852774.88 82093273.23 119770095.1 97978413.29 95818963.81 106427353 128473991.5 90402033.97 126517177.4 44412854.53 81468381.89 68326033.5 69310702.33 61736159.66 102769293.1 73845363.82 98487913.06 96577537.25 105986626.5 45813549.79 72650315.9 75969466.48 63291987.19 45919480.07 55311770.71 59398097.09 36133146.81 52401068.71 57179933.97 52229239.31 43600362.43 58538335.67 58856098.4 62150683.38 36055273.86 47578237.26 43506329.84 41390765.08 43640260.83 4-Trimethylammoniobutanoic acid 17648009 15968477.74 17900289.31 12769011.19 15385298.41 24303669.88 50304865.56 13781203.63 37896938.11 12967996.53 40186988.16 48763645.5 47322865.82 45990395.72 37434678.2 40039254.1 83847750.65 53154494.9 68179773.15 64917281.53 24948762.67 19527043.18 54418600.01 18079068.9 60071980.14 54935987.17 25560489.85 44231590.94 35819676.6 37354559.84 27767990.76 35698552.6 32427678.07 34125110.77 34685363.41 54074857.32 26078498.69 32000889.41 34058372.49 57437288.31 71364713.41 98716689.19 60494230.49 106857968.1 96740819.84 33399809.42 35123445.01 34382017.27 40316885.51 30492021.91 21715882.31 14974103.95 18144747.09 16962773.21 15437758.08 21852608.97 25322371.34 22269789.3 24969725.56 22410853.24 13338099.67 17827544.87 13858929.42 18743453.14 9205275.434 14366868.97 22217538.88 24561898.64 28378636.33 22695674.21 13207297.56 11539574.73 15261145.68 19726403.02 18940843.98 24998369.79 30268561.48 15665651.35 18820195.44 16992080.76 4-Vinylphenol sulfate 3409506.823 4107334.683 3617050.55 3142422.982 3091728.636 835701.5748 3530142.711 2215173.553 4565445.538 2274826.77 2943779.807 2738256.396 3196198.261 2764052.817 2471020.321 1682482.861 3355652.115 1708619.422 1535149.442 2022407.83 3345792.431 1953996.436 3314879.798 1969357.548 3416292.333 1624826.394 2148323.591 2337031.215 2537909.832 2424340.881 1146092.789 753928.8085 972919.1093 1074007.337 1225972.166 512880.6033 436079.0865 233304.6291 562078.951 549691.7439 3044721.229 2704699.74 1522981.231 4474138.821 4510728.337 789649.0845 2218950.08 1582178.1 383970.5311 1706547.148 329349.7791 4104351.938 1647473.936 1744681.119 1828261.44 62728.94509 1970528.319 2304699.096 196598.1798 174687.5406 6457689.045 4259907.703 3466699.258 9007412.804 6826352.481 643511.0533 936691.1685 458501.069 668671.316 503529.9117 1323108.116 1528906.996 2740498.143 4816821.986 2573328.163 835584.9946 1419513.227 935296.7839 992440.048 883040.8674 5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid 1114634.658 776095.6332 373287.2308 1404929.578 1555007.056 445293.6116 2593501.368 1490071.63 1806180.242 1561207.436 50017.59644 50478.69649 50949.89447 49635.44274 49302.46958 324707.8425 52809.71913 51772.10746 53198.07487 54029.84464 10133598.02 7579527.833 10245947.41 6951855.068 10490553.19 3369277.455 656576.7203 1997061.92 3952846.126 1730612.871 12601660.23 2244842.53 3625688.724 3495872.738 3301344.681 1035587.116 650455.3136 1203141.776 1955166.366 1099951.354 10374507.1 7880832.977 4016286.035 9541233.828 8915062.66 605105.8831 1976998.038 4746898.516 946756.1337 5978381.687 212891.5086 6152312.745 777025.8104 560187.7598 743271.6218 140475.0858 1284788.051 2766341.177 161081.7805 139191.9998 60906.88169 59659.59394 59801.5793 64900.25982 61454.23007 62972.87193 64060.01244 62842.91181 59691.24777 60810.51484 542561.0914 52291.53134 50260.82525 54823.93855 51289.89701 57918.83256 55336.95331 1131251.645 56787.53913 1758374.823 5-Sulfosalicylic acid 1191995.781 1435651.393 1386761.682 1264943.926 1436893.839 1978582.545 2599629.912 1846947.001 2569831.841 1915747.538 1797898.441 1098478.785 1803687.842 1914817.684 1365059.707 2280967.104 2432827.565 2567072.987 1757104.907 2345923.957 2457777.977 1723560.949 1488140.67 1997383.122 1641754.991 3980568.827 3067441.849 1908453.538 1572357.571 2011965.106 1829747.927 1373095.278 3186553.516 2086896.647 3112791.145 3035109.588 3230884.801 2679874.479 6162354.063 3349026.037 2629448.08 2964862.763 3699262.469 4910010.173 4843284.793 1893754.784 3337284.59 3272364.725 3094215.445 3191695.196 794798.5363 1380067.893 1502284.933 1609220.94 1734899.668 2548925.401 2342029.771 2885879.924 2283523.757 2417452.87 1724702.491 2455702.886 2089058.146 1602841.256 1769430.798 3222180.22 3508357.507 3271391.952 2681940.347 3174565.995 1750774.713 2425725.034 1564137.372 1845038.06 1471628.1 3936485.261 2490047.518 2826621.501 2833605.384 2929716.851 6-Hydroxypseudooxynicotine 2619659.125 2637525.163 2331553.767 2436409.754 2707455.383 1799892.86 2732164.249 3145040.725 2988427.434 2650817.109 5267112.452 2933888.738 5316221.309 3105410.102 1978632.341 4639440.903 2491851.703 3680177.228 4849597.216 3593648.527 7534470.981 2562422.114 2184730.126 2541760.333 2050576.342 12146330.52 10084843.5 9903386.247 7303996.843 9446158.934 8757042 7097900.377 8926350.836 8250721.538 7022345.033 3145391.292 9850664.85 11024895.63 7356381.33 3159658.499 7020976.025 10797767.52 10850527.8 9028166.313 9030057.71 13140459.37 9489098.844 9386269.222 7770920.534 10431246 3064547.379 5625695.169 2877415.546 1782757.301 2793484.515 5672673.653 2797099.042 3520640.376 2709835.932 5661492.664 5006794.544 4288666.199 3317520.769 4001841.4 4003868.406 2711014.44 4427688.741 1904557.815 2825656.817 1844174.072 5949149.029 3389162.123 2151590.834 3542607.378 1867523.309 6258854.915 4333469.616 4438361.842 7329861.245 4447852.797 9(S)-HPODE 9025191.194 25343006.43 37936223.18 28341164.75 30497232.18 12630042.88 35145201.86 43824395.3 33742163.33 42951242.16 19505966.62 22153695.14 19683270.86 18252802.23 23448959.57 16705155.63 16292137.94 12173885.01 10867082.74 11736500.08 1287287367 631492608.3 149062724.4 644660869.5 141687681.3 141184970.8 152849254.2 27906961.28 48973760.28 28222301.46 43842490.61 15724587.98 20461884.34 19195218.58 18575620.12 15343590 14539465.4 18299338.8 14223680.25 14930126.46 54732735.41 43654085.23 14536472.88 64716440.54 62076146.99 28875534.01 31096740.64 82039478.59 30270036.14 96628143.25 53784695.93 35384602.31 79942637.9 86934159.78 85345068.93 32368987.33 22268554.16 27703046.45 33388539.82 32905516.45 81640052.06 205995990.2 207828114.6 76582475.6 75944550.27 94336490.24 22842856.42 70855412.59 22291901.22 80129574.99 19257972.5 24353764.32 50432808.01 35304374.13 49606272.65 20206839.02 27699791.62 32622827.48 30619366.03 27217153.88 A-12(13)-EpODE 2171252.119 2283255.469 3033055.73 3203619.065 4040636.419 2242005.516 2286702.307 8542166.644 5669631.845 7125606.642 3581105.637 6420001.193 5737358.462 4477106.621 6913411.489 5622324.531 8039186.655 4240295.386 2601448.822 3368619.454 54367659.59 27931259.14 11778264.92 31087473.07 11455052.27 8066671.074 7597156.91 3396899.057 3132646.649 3053344.384 7902738.534 3599110.871 5317663.389 4148521.565 3865124.903 4236843.054 3164911.651 3883953.349 2786183.576 3350372.511 3885651.848 3579351.894 1791915.562 5671317.546 3913041.571 2599764.487 3021165.801 5324680.329 3931494.714 6013356.866 5490961.911 4160547.596 6535324.054 3570992.754 9982628.47 4395340.113 4008492.024 2417098.867 2573633.273 4824590.229 10063276 12560429.87 8390980.312 11426550.24 8670604.596 4945487.135 2085385.024 4484862.074 2641866.904 4257268.096 5028814.735 5967564.907 9258808.794 8807847.745 11269100.25 3506766.367 4297028.084 2467370.173 3552430.903 5487816.907 Acetyl tributyl citrate 1877018.675 1480636.293 2784429.437 1889022.415 2036435.849 278272.84 522379.1388 518039.0118 1045864.125 256340.4555 1485533.534 1108505.002 1665738.795 1155574.426 1285939.766 370075.9721 202073.3358 389614.2798 165255.2181 155851.8502 22142796.02 5434007.344 2020222.388 5611727.173 2980439.998 1258529.761 1180408.029 379035.4206 669229.6181 618361.3442 144473.4287 607143.9369 406537.9056 522959.2584 250951.2682 370311.0549 2067885.626 1071095.172 2519755.65 369240.7152 2045237.641 1351939.753 2103244.957 602494.7207 582454.7472 746886.2527 1636534.303 2051811.463 637082.0188 2287060.377 1291279.101 807828.8925 1595018.173 1796683.482 1659085.17 895729.6545 560201.8285 304523.5627 1414111.484 1542149.926 1220753.028 5570048.362 4765989.278 1068724.068 1445876.188 1958936.418 498881.576 2847224.474 625796.7731 3221681.669 2876278.719 4437257.014 3781584.74 838798.5839 4260578.898 301322.4815 507100.5216 670104.0804 580388.3593 460740.7801 Acetylglycine 30492067.4 25810750.72 30129751.62 20609879.72 22324489.64 62574894.69 63081987.3 36671774.8 36750980.33 40934090.78 32202175.23 19992300.24 24462919.52 23240779.96 19970974.81 51386361.27 47593017.67 50420321.14 31501661.09 42612352.7 25518534.3 12734601.83 22085757.52 15024425.35 23601401.37 36721416.14 30280219.59 18367374.03 18858266.96 18119995.42 22483390.3 17248821.36 20585314.22 20010920.61 19935452.02 22209076.94 17438823.56 23938715.15 18213126.85 21523078.2 33935242.47 33131861.26 28189873.9 40956210.81 45642520.93 50488931.97 34258791.76 33436783.69 39163803.05 43495460.56 27890020.05 31897955.42 19960110.86 18391471.45 16726080.5 52512302.22 31250765.71 42576875.62 43300975.59 59902985.14 14914692.15 28972173.26 35723432.54 20139228.79 15264934.63 30665892.39 17439173.25 28150439.62 26222363.43 32163983.8 18441928.42 22165183.48 18871718.89 24091048.84 21681542.68 16217002.12 38724864.92 25357842.32 25976673.93 27050837.94 Adenosine monophosphate 3533274.238 2681508.453 4786955.468 4133810.847 3589242.434 9868813.418 5348752.259 5165185.455 3370868.292 5602798.007 13613177.88 666889.9628 1598144.828 1469871.25 1502011.979 11665231.58 2740784.385 3648172.806 2062646.315 4371561.385 3106450.324 1813458.47 4204067.207 2275675.168 4866594.767 3066906.573 4737508.481 2580562.185 3911075.454 3536665.208 1350456.734 10688615.38 35398761.96 3714741.99 39941961.32 230745986.6 222914403.2 224106083.6 171884458.5 222771468.3 2986431.271 3191382.712 3609409.496 2548264.759 2604292.493 18452223.59 3305514.744 3335395.864 18126169.49 3063620.645 3054050.772 9141051.671 3344590.042 3833840.771 3864582.477 9428941.567 28107651.75 9582991.671 8250464.561 7674668.857 2432029.248 2606496.663 927603.2318 1786866.607 1851827.915 5299910.987 4435258.009 6336397.842 4422369.585 6646204.317 1546919.194 2567950.018 2569945.771 2462112.241 2661038.474 2629221.549 1907128.893 2623108.981 3063749.017 3032464.98 Alanylglycine 115102452.4 99742342.99 386913593.4 110885984.3 250633817.5 136707809.4 244730926.2 153175882.2 137290007.3 130168093.2 165270799.5 90184259.8 190853218.2 120809456.9 101289904.2 127543115.9 101928598.9 135784826.5 141616431.9 160981154.7 168286351.3 97922157.38 135142675.9 91595664.93 102906793.6 154289098.5 96175763.41 174688042.1 140276144.8 167328354.5 109915752.7 54309166.42 103236204.3 92152848.39 69577263.85 88011163 107888953.6 61328536.3 61556048.02 83390855.67 177459320.8 176703756.8 138396009.7 180325723.4 207775921.6 159394796 206947895.5 207593732.8 127034782.5 229704388.6 154161333.4 178533678.4 296994988.8 295128798.2 165461433.5 194124495.7 109227903.6 176972118.3 160707832.1 342285752.4 107836983.4 131640078.6 120624003.7 158148750.1 101208619.7 106922028.5 132863181.8 91021149.97 139829627.9 119603032.6 85289469.6 76438140.38 120027873 111913157.8 86445336.87 72312001.33 87090979.54 168790249.8 128565872 89852224.02 Allantoin 167669612.4 154560378 162866900 212118000.7 181373277.6 268511901.7 284541541.2 226353367.4 163656426.8 241971610.8 72746424.37 67753904.67 83899637.56 77403340.87 68417067.34 87091255.96 78675957.3 97270600.21 60466476.64 104978048.5 172685570.4 77319056.23 127260051.3 92482964.43 124577082.4 81627787.35 119114157.7 97553359.78 106820919.1 127878185.6 100654804.7 147357502.9 97704621.03 95978406.64 103369597 164131551.2 174817532.4 159260971.8 128518152.5 171191561.9 139199828.8 237689587.4 266186143.9 319575904.7 384743653.1 97995577.32 128406330.4 145052903.7 74371509.33 120130326.1 126680324.4 146983356.1 117643758.5 132749017.9 113952311.1 121169737.3 164416568.4 191847007 113178781.4 110417994.2 130019105.4 153774237.8 147566917.8 167865819.1 116681962.9 193119075.3 170433992.3 127457072.7 129139756.4 122263954.7 121013296.5 149723684.7 127409899.1 120107502.8 123389664.6 74207661.31 85623702.25 100822180.2 114514443.8 103922218.4 all-trans-Retinoic acid 6382329.821 6019330.891 9874074.499 9005853.685 9886515.31 6286187.89 7311026.456 7684064.305 6273083.633 8292811.644 6210225.312 12667627.45 12805289.26 11255327.14 12271161.26 9473095.099 10195934.37 8057878.186 8150900.344 8484149.043 4686474.004 7048607.112 12114110.68 7319171.335 13765799.75 7268992.245 8825282.623 3465463.451 9137492.012 2636593.031 5857324.911 4654614.801 4407328.703 6416087.134 5884984.259 8917593.11 6280415.537 9549400.646 5514915.591 8158655.34 4012262.219 4949326.024 12576458.04 6593328.077 6964810.522 8241695.148 9689407.352 5580839.049 5478671.03 5595744.927 14861345.65 10251800.2 6740466.416 9914970.348 7517652.857 11104345.8 10543834.1 8192859.599 11670955.4 10595481.15 11911038.32 8513273.435 5577307.893 6795661.09 10624224.55 10018261.92 6088194.139 11276599.4 8116287.465 11294007.45 9428489.028 6116648.944 6417051.718 8092651.361 7180777.901 10924958.32 8757335.305 10255199.1 11591900.67 9497226.433 Amidosulfonic acid 15677484.82 15251716.18 17080520.62 13517691.85 19741315.33 9821268.858 19472986.78 13734154.46 11899484.07 16434556.28 11668458.97 5305648.795 4302778.7 7439995.332 5228640.787 5718310.352 4805977.575 7060861.097 3492377.498 11509658.64 16803927.14 5544972.85 10323817.91 7151409.455 9143249.78 5282776.42 10113624.12 2815068.459 4173022.614 2446545.398 8323498.169 7426065.774 6971651.097 5129344.222 6903348.996 7207942.579 7562749.786 8374148.661 9987896.093 6569928.041 17912756.43 20592821.67 11069348.44 23105125.71 25225556.48 5777334.387 6995150.12 13095600.61 6975427.305 12044397.92 14248029.43 26518150.34 16716458.2 16589554.61 19520734.7 26029096.12 27610783.43 20305538.18 27897259.41 24909566.5 11490119.67 19625282.97 18575391.99 21830509.69 11761964.67 10392492.01 13588340.8 15140981.3 9223625.944 13449821.09 10617086.36 8753855.298 14201082.95 13794596.76 13895514.74 7184684.001 14542977.21 11067102.84 10949131.42 9102710.913 Anethole 601398.364 388730.9094 411286.2488 498306.6933 618900.1732 312163.1799 647380.1901 633734.1907 596880.2901 722865.5855 1251051.446 435422.8207 1061044.905 644489.4137 417686.6887 964074.696 871892.5383 744916.4419 1209123.524 649301.9719 2047334.654 367686.5785 272671.5007 454735.2015 351197.0042 3529403.3 2838875.944 2390268.519 2239219.445 2711252.639 2477233.007 2398040.766 2242957.569 3393118.756 2502114.789 491933.7879 2784234.148 3235095.585 2663176.813 621121.9799 1606373.499 2833896.183 3335688.162 2361174.582 2725486.971 3727351.592 2782229.204 3271143.324 2315619.193 3330601.803 536725.3 922627.8997 425107.8543 211743.4115 476784.8999 1246814.855 503043.5489 627343.5983 404823.8039 1267338.148 1262814.228 665580.0482 737760.8357 910383.4713 1018099.706 485270.3373 834124.418 296971.3245 726950.9452 294865.648 1056578.053 534775.6243 504292.9516 821156.4911 407351.0653 1665268.538 926485.936 984063.8181 1593834.513 1057339.609 Artemether 6166220.251 3186700.943 4043134.125 3884968.157 4150445.995 335231.6809 865557.9684 311912.2045 607930.483 351087.7289 154040.8289 645025.2402 473345.8414 369684.4279 592874.0149 149329.6375 225538.9787 224909.5478 126166.2431 174615.1582 599800.901 542803.5802 398941.9752 610705.2555 385381.1786 466524.4032 374820.1519 159769.8515 305936.6206 167068.3739 209492.8395 605451.4793 463702.4453 597453.5509 540255.7608 167152.7171 119649.7831 68289.01744 48014.98837 160660.2427 537673.1527 796552.7323 542267.8169 834363.6783 1291737.581 111183.7715 286806.3496 173452.0379 181942.297 578549.6941 522109.0337 3518815.747 892239.742 537321.4093 502081.4141 270801.9162 182829.4048 1062644.042 254937.4599 352987.9188 275029.4997 250455.9456 577905.6967 1225405.574 154055.4477 163559.8965 127818.6784 175036.5986 116997.1729 317863.0173 1706773.951 751841.7771 803803.4301 1033024.205 728214.0301 398973.8677 1391018.105 305906.9015 252860.8404 333651.6128 Ascorbic acid 123861835.7 203892007.5 188343821.7 55738547.66 48663892.7 19032033.63 210498243.6 119337126.4 172576282.7 128593760.8 15968259.28 143890872.3 42738350.81 39990398.74 135064885.4 136989321.1 160561138.3 221343367.4 98072484.7 247179148 6780203.884 3985051.944 4197522.883 4830766.868 2713532.507 5378196.243 4628911.391 5498644.87 5997346.344 5450138.169 2110561.01 3578244.551 4416702.625 2713048.384 3979336.619 9411406.96 9056653.153 7747529.912 9232345.82 7883311.637 71001234.16 10197598.25 8171974.166 6911041.08 5649254.111 33263318.44 188196697.3 119231290 158451754.9 120429639.3 125286157.2 160330682 181700794.4 195054787.1 183259119.8 317946980.4 171033377.4 303179707.8 401155964.2 243667946.7 83818427.89 113059846 149269784.3 69382804.33 72674594.7 124770306 127373657.1 158609320.5 100906027.1 161089218 71193859.01 91831881.63 74315617.29 62081212.39 59876372.99 65612467.77 84470761.7 58496512.32 49254091.01 54995926.06 Ascorbic acid 2-sulfate 92409722.8 59427172.04 59051045.86 152435079.4 105541735.6 32091062 41557131.56 65511824.69 36895360.18 63623237.71 29905878.95 33529496.74 45089818.36 33968519.97 34237075.48 24032428.31 27920167.96 27973858.7 24922284.35 29068092.8 202830876.6 89604163.75 44883678.69 96950429.15 57425153.54 50083723.95 67839496.35 49582545.98 65667769.51 81982180.21 46841122.66 34302841.71 38608888.06 40373992.35 37578964.85 46481596.73 35292238.05 40681737.3 42970369.33 39047691.53 120428204.9 158224581.4 135501195.4 154905601.4 137245242.5 37613157.67 63384642.54 136244175.6 45375030.2 150514532.5 36087534.35 59430427.99 138105281.7 178216382.9 120877956.1 45710638.43 34156602.82 56761193.79 46183725.99 45742551.06 93546236.28 123611599.7 148400805.3 76534085.71 95103117.74 76042397.06 34596766.37 50600329.25 24492374.94 64085366.32 92179310.22 102268549 70556254.66 64222321 72391305.32 24190188.22 27251233.34 30882504.9 31412816.69 27844735.54 Aspartyl-L-proline 16606573.55 10202893.96 20757894.83 7587238.225 8921736.17 13050026 17300883.14 3893378.466 7957894.567 4331966.997 3621661.697 2449776.189 2727538.941 2539938.486 1977984.212 3298223.845 4077363.502 3600923.727 4569705.058 4027220.416 1471910.272 1670527.342 2468361.944 1738117.018 2271833.75 1394033.568 1052779.025 1301286.27 1629294.068 704250.9509 3196468.117 1923901.165 3304726.873 2334536.821 2554814.559 2405345.663 2476169.932 2191266.805 1857912.479 2114567.564 3389230.618 5534587.126 1685041.317 10306095.1 9644719.248 4106505.437 2105508.216 3678849.426 2351863.247 3633776.651 5697825.017 16738264.67 3105345.2 2735911.405 3380896.614 5591684.359 5540371.089 10542132.36 6665450.634 5074548.507 3699704.268 2333097.738 3114627.568 11290788.51 3366673.086 2713724.002 4941858.537 4178702.346 3917150.76 3803176.989 2926430 3329586.366 3952472.778 4434675.118 5268510.764 1871911.192 2992944.77 3811738.241 3978801.897 3451691.924 Astilbin 1081623.323 608281.1333 2376393.22 4155856.826 3175233.962 239667.0862 4088062.002 5585358.596 1856272.554 5555509.823 5645554.454 2677358.041 1953155.359 1560201.563 2182029.521 10265194.68 7117589.762 1243404.482 4078401.358 1476786.518 4048879.531 1250090.195 2643029.45 1782992.16 2478010.312 6161285.079 2915714.372 3035294.358 2320713.863 3957498.405 392394.6796 284031.9087 2626715.492 2036177.277 2907998.618 2534193.334 377755.3822 972527.9879 1337261.511 2912188.659 2412230.306 3315990.733 1485410.064 3965777.81 4084321.645 1587211.678 2066120.445 3098638.935 1800496.547 3464628.624 762722.0577 3710110.304 559429.5592 594137.1116 674249.7 742754.8054 468984.4935 3442581.972 820760.0499 987412.2355 1478551.421 3310861.63 2304155.191 1061719.282 1032416.227 1641254.308 3084250.353 2189305.2 2562000.006 2226469.226 1084899.441 696626.9493 1666069.476 9817279.456 3754778.259 3896926.54 5911140.906 9327733.617 6756755.775 7233412.091 Avocadene 1-acetate 13191032.42 10626403.61 10563996.42 12599743.33 14878562.92 8420254.814 13447583.51 16098785.13 9524750.415 15612924.96 5188356.896 3429757.663 3917570.644 5802660.81 3219061.616 5119106.622 4219784.458 5658838.582 2966059.188 7564697.156 25754727.43 6332398.474 7975142.683 6112390.026 8688924.706 3758529.367 14365818.77 3467535.559 4299918.258 3440199.504 6156073.625 3592572.8 5394272.787 4413610.958 5657733.941 6671948.12 8564563.647 8608711.364 8487556.413 5980258.545 14923169.76 23654083.61 12274732.26 23909413.45 25701743.74 6697514.881 7954371.994 16145410.58 8309259.681 15354548.14 10670616.09 11758193.85 15210955.91 15615578.72 16503260.3 15856231.42 12073759.18 14298233.56 17154434.45 18352938.26 6220870.987 13220059.48 13646599.97 8258749.557 5958774.361 7377072.75 6248485.124 9444241.531 6563788.803 10104839.83 7899720.712 10815704.98 10595672 9825726.85 10447941.23 4518948.898 4595219.523 4138613.345 5099013.81 4282558.394 Azelnidipine 13614152.79 9356321.583 21333244.47 22960621.74 24982990.41 10449461.48 15139226.89 23762908.7 19851169.46 21806129.06 12485468.09 13057501.37 19116061.91 10358329.59 9327286.716 26203315.16 12922514.95 15924857.8 15819812.75 16624136.38 2059923.109 3253996.116 4657544.968 3627413.896 4527756.606 6363950.061 973896.0844 4383360.376 1571296.739 3620720.067 3416224.301 127892.5556 5778473.39 152361.2662 6383886.227 9391523.237 404482.7667 2187687.142 4934885.72 8766186.852 10333747.89 7977076.744 1401893.894 1752577.847 1533827.985 28854732.54 17144508.65 10914179.97 19218724.41 11920992.94 12076180.27 9665151.739 9346954.539 10300243.18 8945414.937 12598126.05 16336962.86 15122190.18 12392481.81 14101564.23 13489700.55 18153319.01 19376017.6 14125414.37 14251469.82 29154263.84 37661138.81 15408007.75 14577149.13 20007294.97 18496776.48 18121791.54 11874566.94 13205088.17 15026301.36 20602080.83 14428361.34 23607944.45 30524962.87 22905820.64 Bevenopran 242769.7115 159185.8589 324748.4834 380883.6634 205773.1321 1000468.393 2789334.277 1951528.797 754014.7384 1725513.638 640905.5633 362808.742 234596.546 288882.0539 295949.749 1190891.955 1873324.615 1007373.71 1115934.338 1397599.848 707313.9186 633142.5098 742341.615 891990.4956 557048.7631 1258090.131 2541318.237 1167069.498 1309792.469 1177519.943 88638.32019 152929.0969 338987.1102 203189.75 320214.0115 884475.1501 1389028.097 575654.7634 726188.2778 522923.9934 510062.3617 870220.9896 70483.99263 1538715.523 1741350.293 749335.2646 1911053.268 1175776.609 1011857.985 1403031.473 120782.3698 790648.8554 297188.0352 289808.1978 245390.3255 85886.46411 357144.3424 1671743.072 163787.5375 78243.07804 415366.4892 162875.2619 161925.2557 121707.3915 452072.4318 1248144.301 2588295.348 672883.3741 230409.7429 808592.4527 56553.72905 439961.4726 180206.5658 710255.1924 173269.2955 1180373.682 1886715.387 1164864.702 1171182.486 1107075.08 Bilirubin 19893677.07 12366183.82 35994217.56 37305832.43 38103474.36 19613371.93 23641144.22 37956127.24 32445637.03 33257788.97 15597006.66 16878745.06 23109500.56 15487866.87 14005544.22 30710862.04 19861048.62 21563580.84 19563352.67 21785075.56 2943264.701 4345111.441 6094362.358 3817344.118 5064255.982 8624968.88 1131934.58 5832356.368 1693069.542 5407939.998 5249195.209 523097.9099 8234604.474 526837.3689 9100153.23 13500861.01 962977.8292 3351332.524 7721145.365 15072894.09 14846053.53 11619930.22 1729255.265 2047730.22 1362127.591 42439577.43 24664023.24 18452319.12 29761950.86 17766168.38 18204581.06 16728261.95 14125982.49 15175361.09 13594522.78 26117977.92 27302933.16 27011615.8 28094946.43 32229327.71 16942084.54 21155772.25 22754608.3 17864691.14 17539738.18 27215847.6 27577682.59 21453197.33 21975712.83 22615818.03 28803123.87 22967410.53 18311787.57 19350936.36 20679202.98 23846252.59 19567468.37 26955682.04 31049920.85 26125003.07 Bisoprolol 2924759.105 2556218.229 4318106.709 3200873.303 2216951.961 607688.1715 1846090.118 5247306.125 2632538.435 3848089.716 2637338.606 3126624.615 2974707.288 2447040.857 2658934.742 1058670.722 411750.2583 1703302.866 428479.3149 767586.2593 9873550.873 10098121.49 4510305.174 10502015.35 4397338.051 4545114.403 4562554.007 905199.9111 1580052.467 773670.8351 1004969.286 534569.42 1074994.085 1335453.489 1163909.628 1249887.995 1864845.129 958370.6204 1083527.339 832714.3869 1971202.674 1706365.458 821451.0833 771636.5311 882225.9934 2068372.29 1928968.844 2070562.651 1940879.72 2006225.418 2865944.293 2708640.741 3280472.482 3593696.582 3286169.665 2536471.992 2261707.429 2553685.919 2320043.313 2677511.942 7497130.298 11013611.89 8450295.353 4501450.056 7250674.03 7981654.457 2465670.753 3928454.883 2013782.207 4585123.524 4047775.969 9027886.434 11494352.76 2120096.877 11704474.33 1875962.236 1857810.421 2162348.338 2093272.178 2045835.776 Butopyronoxyl 1272900.296 2139693.938 3703430.052 5987937.269 1687226.962 3586115.032 6575550.171 9402137.941 9475986.665 8808475.527 1230675.434 1526593.69 1226312.361 1251264.475 1089112.411 3094569.257 3334042.472 5099156.607 3451181.665 5514654.099 50072016.74 9518426.592 5714192.075 11104327.44 5742145.129 29731733.88 17281199.06 4067694.304 3822397.723 5601734.005 1280400.299 821883.0843 1614513.176 969865.145 1316708.449 2990484.939 6130940.363 7152189.687 2361156.781 3135148.206 2103339.627 2441457.045 1600483.659 2801147.87 2901396.844 3647515.353 3816108.371 3734853.821 5207183.374 3629866.025 3832229.656 5276470.374 4858978.559 4297412.805 3852965.491 18487972.67 9227119.9 17464539.8 19201426.43 18208035.09 7771364.875 15656145.29 16664157.08 4181374.618 8281563.198 26249601.35 9794348.605 23453212.34 5536598.411 25309429.67 1583510.394 3075955.325 4859027.469 1024699.887 4716958.344 3871579.021 5685525.647 6054764.935 5706975.698 6059042.353 Cascarillin 2483771.815 2255101.608 3973539.693 2376240 3206138.259 2691170.929 5075320.287 5187856.562 3296245.64 2517733.754 7343853.877 8401160.913 5754788.564 7171100.466 8900183.816 5974254.266 6972878.942 4282932.22 6324280.425 4692833.9 9286691.356 3986103.288 6630416.989 4172600.639 7742717.086 10965745.94 12670236.72 8990588.117 10162475.48 8793506.75 8994161.574 7604765.418 9263369.787 11964380.46 9515568.043 8960213.633 10923453.74 10706978.24 10005900.75 7371347.343 8477373.783 10188972.24 10803099.48 12835442.85 11381274.14 13509148.2 10427678.33 11605394.42 9862851.67 10540819.77 9024320.236 7036649.735 3723265.279 3274855.077 2219594.612 8924432.519 1928491.931 4672038.215 11762791.9 8368601.995 6903452.287 5154809.318 5697026.427 5029376.953 7500678.145 7004585.868 4206084.327 5615219.814 4085991.78 5678426.772 6648968.237 5204271.322 6979347.218 7056080.859 7046110.004 7629239.407 6176360.519 7279221.51 8839793.863 7409381.311 Cedefingol 21193620.04 23637583.03 20189124.76 19019499.53 18556436 14729715.87 17404603.18 25230371.36 21579666.7 23400260.03 21950122.02 20357047.13 22062684.01 21630663.9 12684841.48 20931781.86 14802925.79 25196097.02 13922993.67 20975296.5 24740832.56 31551022.49 21580357.35 33739183.29 22609478.1 21029438.71 7727978.86 18992585.31 17414115.98 15788275.21 12003936.87 9619045.448 17801402.93 12443640.07 20144880.54 11824678.26 15040725.44 11723457.82 14961528.53 13032518.83 41891614.03 30829802.29 17310435.1 14801615.64 17983094.66 43149319.46 29185754.9 18043431.03 32353997.01 18850311.89 11007883.38 20817956.02 23447853.21 20666991.62 23033145.98 14499014.86 16112972.2 26933708.52 13970332.57 12933098.18 13967581.7 17298981.61 15861789.66 17867574.42 13954472.3 16729625.58 17435759.17 9134536.23 16136979.71 11947206.36 22411382.15 22580690.97 23780068.69 24203325.79 21189195.52 11300410.85 16069999.15 12789790.07 12591297.21 11505464.68 Chenodeoxycholic acid 812583.8308 1611509.989 2594240.01 1015807.441 1566822.634 199912.2174 1501810.525 3092449.921 588295.4863 3371475.624 1156816.349 1605778.092 1085616.674 1004879.288 1558491.293 1967066.394 124919.526 485975.204 307189.5144 374052.0811 25366737.72 2712128.448 1185229.87 2622027.125 1198232.58 1597706.644 12571187.5 417079.3095 666616.3573 462040.6817 300564.006 234906.8372 519210.5556 687702.9085 617313.3448 1326076.236 3235882.426 973084.6167 621037.1476 1350814.978 3404218.322 3232198.835 321312.2787 3812439.91 4187516.805 3666136.411 4452749.585 17016334.55 1976496.87 17962148.57 1489236.341 301434.0184 1141759.693 1523556.55 1245330.424 3174185.22 1250605.002 610520.6559 3031924.364 2505079.897 1226458.362 4590932.335 4507504.752 1180967.078 956074.6043 2699936.22 373784.7512 1336065.482 442392.5422 1589415.81 995741.9424 4585923.789 2216103.745 3730589.543 2223225.209 258018.0403 444078.0526 358776.3261 385780.2976 328625.7677 Chlorpromazine 7314355749 6991393879 7215867939 4800573697 5068226021 6659424218 13866122822 8283418517 11747663691 8855024708 2088352.408 1826840.56 473782.8574 135935.9944 1287292.107 158250.3956 96207.50156 869342.3052 140335.3565 774653.0392 3410610.929 1389002.359 168882.7084 612360.0876 160433.624 2390686.009 503596.0222 938072.7604 8414634.346 1169771.102 924383.4675 150309.567 2626757.281 1364864.831 2573504.845 4549176.841 9755822.396 87606449.18 4657727.338 4256507.223 7723607.011 4579118.637 8606722.453 1665321.958 3162540.445 4822958.805 10566805.21 5057588.745 3363191.819 4329238.173 294734.4765 333563.7706 253158.602 236250.3567 235772.0992 323795.4224 17269046.84 550253.2295 4255540.04 328923.5486 147133.4322 951926312.9 670982.9298 690037.7453 1020009.222 1504107.283 507174.3655 2196329.256 876728.0849 2105263.107 509083.1125 351812.524 106731.1325 113029.3331 106464.9758 3964289.079 7194981.022 3319506.57 3198443.529 3288641.563 Cholic acid 26118085.79 7885445.949 43170990.34 23478021.05 24196320.69 4198337.755 76101429.4 41599609 691103.9652 48551637.48 5235317.205 18953475.81 7093504.2 8176928.34 19995907.38 68029087.85 993758.5239 23617646.92 28843639.23 18796009.18 80495919.82 30831608.39 2519802.639 31393836.63 2610298.975 16549267.18 212152801.8 5880574.814 4983515.812 6632663.877 729765.4755 936612.5995 3813916.861 2483604.216 3602845.212 25523731.69 27537442.94 9866138.538 6249310.252 24596680.71 27925842 73802516.8 3027172.596 111149465.1 118912181.5 142405139.8 24581398.07 194642283.2 24243081.69 220871909.5 14717809.25 1287404.933 7354470.336 7479042.557 8107708.523 39189839.26 38683421.27 37069717.01 39321284.16 32046237.03 8359850.806 42243774.48 42831475.73 2886332.705 8301963.792 46371643.86 8876436.575 27390166.16 3798308.393 28422101.86 2230199.242 25454665.41 1678270.494 32215240.53 1724966.071 1722263.658 853900.0097 969854.1187 799178.7535 677857.6759 Choline 465370311.7 649320376 583104509.6 660037117.3 639921427.7 703455336.6 1143716014 1550437815 776705624.3 1391827711 376171885.7 422238777.2 351396732.9 383099667.6 380019998.4 413109460 375825402.1 549179954.2 418269528.3 530042771.1 439861000.2 378155283.5 598435802.6 508892111.9 623581939.7 720783372.4 676903173.6 670544315 632450701.7 769007916.9 197416537.3 202708485.1 337059996.6 244575118.5 320096817.6 402521904.1 535532638.3 497578610.4 451181766.1 350209955.6 962854834 773838767.4 585124367.9 869410788.1 721124794.8 1155371616 1017703923 859886937.8 1133208344 955242564.7 395480325.9 510574285.6 578758002.6 728218273.7 594067606 809277317.4 632886497.6 727517709.7 974377157.5 921767163.8 367112677.5 593425416.9 626065408.3 391157976.5 345296452.9 563781337.2 373340329.3 638076747.6 612710158.1 660581751.3 331743110.9 266708261.9 567912050.9 364578561.7 506594179.3 287014837.6 473771368 365540211.7 450346006.1 405437674.4 Ciclesonide 2663138.855 3724735.985 5790015.67 2489278.674 2867516.713 2084431.939 4097347.784 3605771.355 4294653.911 4904751.896 6150281.31 5270927.768 5743000.87 7266457.407 5326732.997 6672579.116 3052625.185 5785134.848 5356728.879 3474416.667 2707412.271 2302321.109 3637104.679 2634929.939 6176021.08 2262967.277 3389738.584 2285279.839 3176250.347 2443520.483 2860361.321 1005822.14 1330202.729 1691644.612 1768686.531 5266087.899 1853795.409 5374731.503 3265606.959 4078552.11 3268733.933 2184309.136 4303889.052 2363845.408 1333610.557 4282332.732 4396201.307 3146469.919 2639216.325 2229904.734 8762789.201 7419290.141 4875894.306 4845609.689 1783245.982 7805785.048 4456218.586 3864542.482 6396084.602 7574025.458 2885945.217 2566865.698 5422844.337 3961949.715 5360625.146 8156702.713 3647937.717 5756504.134 3951823.61 6105805.329 7895032.308 3770500.72 2813938.088 2574999.798 2174370.262 5047549.648 4895393.444 4916843.961 7608177.723 3359970.318 CID 12910457 201228.1455 472324.9715 549120.5292 221837.8738 302599.9996 211110.0631 247434.5113 232827.8872 225274.5783 240802.2678 300576.499 271016.2024 238726.4878 234750.2206 272374.3779 239761.874 231334.1695 183902.9195 242551.7604 199449.4624 180763.7312 212825.3681 295742.3337 228770.0437 288203.7631 270884.0796 297184.005 220867.1074 243419.7081 200945.8958 245574.0209 184274.8091 218641.1653 233468.8826 222878.214 295553.8617 267337.1043 352660.1447 209374.2075 245119.3428 208844.1366 254060.1747 327493.5146 253220.2633 234479.4577 268723.1974 340985.5346 259025.871 216063.8021 284062.2112 340314.8216 322322.3104 227559.2732 243048.2266 239639.2377 331588.1898 291085.4333 277217.0476 307263.2931 334051.2409 250028.4453 210497.9677 187977.9467 231585.6716 258327.19 259325.6032 209059.1459 255276.4839 170231.2388 236842.6287 251602.7021 217670.7663 176930.2216 186378.6748 184009.1429 302409.8434 229433.4862 220279.8736 321751.3072 241393.8982 CID 134693179 248524.2869 845289.3044 2399845.058 1763490.081 1696081.693 80914.38239 284134.7822 768005.6625 78804.13103 998861.9674 453057.5243 3904798.513 823599.7361 1029834.38 3729531.106 198954.5264 44711.32078 54506.15141 46423.55536 55298.45566 7802450.738 23461947.35 6480887.251 22105401.47 6768315.897 1091776.251 83118.28711 596975.6046 1511973.849 578335.529 67595.61375 74132.14603 122356.4112 71442.47735 100060.2366 54987.68697 63912.47428 64275.16356 68449.0435 54653.79692 4224195.943 1833343.217 65842.56241 779824.2184 849156.8464 547516.7981 3071443.638 7058484.567 1647533.351 7052377.776 288079.6395 658255.8913 102731.7977 97497.20535 89379.51767 275101.9976 193334.0384 221311.034 238571.4658 291984.7863 391174.17 444991.4906 413959.1077 157746.251 295615.6548 56202.96167 51601.03863 55824.90074 47126.49863 54614.90857 439643.1361 547439.3475 859136.8194 337238.3001 780251.4196 47837.38749 52202.77002 46230.57701 54591.52581 51055.32138 Cinnamoylglycine 16220488.83 12332122.23 31048390.45 47079419.55 47761410.59 89136546.74 190349862.8 213972815.5 25346136.45 215899292.2 16724515.41 13616160.74 16487674.02 14033937.84 14703464.42 120475418.5 185762550.8 84290007.31 84468096.71 86933202.82 108321595.7 69776439.58 81967257.8 74028927.34 79854847.7 56018915.11 81588392.46 47392430.22 54370699.45 51976441.6 11165761.09 7466869.678 26892852.01 18854396.73 24214805.07 73917951.33 80344606.46 53995472.1 39281664.47 77413424.03 97216832.72 141910029.1 116469124.7 191703988.3 205094737.3 43901707.79 54151772.57 83656067.61 65102894.6 77268778.76 6123937.419 39334616.22 29294949.69 24282079.39 28341368.32 28651132.87 156262198.8 385072825.4 27035278.9 22624517.09 12239865.19 17493450.65 16190455.52 15877841.64 14497533.36 40402398.27 101555491.3 71634823.67 80457984.39 73328167.52 14578605.69 13640111.06 50487659.87 103001957.3 50315697.98 90279165.8 178734300.3 87451053.55 93527426.31 96715514.96 cis-4-Decenedioic acid 8936690.997 10401015.02 13848207.85 18956403.91 16229526.07 12894159.69 20342161.91 25183730.42 25461547.9 26532821.14 5975582.525 6471739.453 6068083.525 5139725.33 5511347.358 10530129.53 12829761.92 11438589.65 9287223.157 11627201.3 108818832.4 21955515.12 13190614.97 22678979.15 13465464.93 37212745.81 42344702.2 9540033.21 8992167.122 9663776.97 3352869.032 2351975.072 4756567.203 2676593.218 4753968.279 7166293.474 8570657.072 13270287.87 6003157.43 7340544.887 10605291.08 13000195.3 14398258.82 18172956.19 18143550.52 11384943.2 8902189.622 11550733.87 7898012.251 11188854.16 14837684.04 17088413.65 15860243.01 13499981.01 14338872 42172715.14 29111600.15 45841731 44728618.35 38855144 16983832.92 29884200.86 29878766.84 12837048.75 17637271.83 66736866.19 27225278.83 37353479.74 14668267.16 39842072.9 9257728.931 14448622.65 14941028.74 11648334.8 12664083.27 11391520.04 11510101.86 15929161.09 17011536.33 15762540.16 cis-5-Tetradecenoylcarnitine 21040890.94 46852544.45 84702142.03 46872951.71 45377478.59 23594437.2 15367753.05 161488432.6 82479654.55 162120328.4 11723199.9 11826002.58 17289732.61 11348515.96 12975285.67 6644647.922 3414637.136 8831832.042 9059137.144 10047231.52 124706939.3 126149077.2 46734091.44 109387484.8 48483632.04 59784536.1 82065981.9 21311130.45 31090857.14 21005979.3 2867550.467 7183925.051 9055395.648 6288936.04 10380945.02 12511963.4 39056087.13 24452382.48 15586336.43 12603937.85 31265431.87 16873917.5 17917718 9598420.076 8924564.847 26076525.53 26032529.37 29515049.21 21827745.63 38019872.39 59530851.37 13753608.71 76830582.24 63813275.77 66698154.97 68682924.68 19101132.41 27285212.78 84595807.92 68366584.67 91549632.39 153322775.5 134054613.3 50709410.35 90022590.51 211292500.5 35479283.36 59064595.5 46264780.53 59648913.49 43779573.01 89852676.89 129648502.9 24457422.62 135937902.4 43307052.06 37885723.34 44206447.62 40010498.95 41705016.36 Citric acid 1325591735 1141949049 1148741309 1348018598 1494144033 914360702.4 1666650377 1661346616 1123810872 1735192453 580127523 347629080.5 447910936.3 558749728.3 314077862.6 523202973.6 394409954.1 554504410.8 338510353.6 782166397.2 2303438255 644592493.6 832023418.6 694506683.5 913796160.3 384389038.5 1378824767 405768898.9 507954145.5 373492020.7 638320992.3 355365557.2 534926181.4 412594924 476087465.8 701130863.2 783192167.8 851326387.9 805025726.5 685136344.2 1608322271 2279115740 1295798152 2370324982 2275149118 648436932.2 870430952.6 1532039067 783833088.9 1553142901 1178127974 1388750507 1668298375 1718036152 1637002482 1880040162 1394594291 1714793329 1806959907 2028051628 666764788.2 1411636794 1465666888 1007817441 829603962.7 915097473.3 666342729.3 1195941132 844406524 1002415647 807114589.5 1015777025 1289331185 1402266283 1167685468 575032211.3 497503680 482077363.5 526113466.6 485972701.2 Citrulline 202864141.1 210068541.8 186988524.8 219443691.4 238380549.9 197440973.7 401111796.9 214703243.1 276380482.6 219035267.8 371751508 256774076.1 258802092.5 248095004.9 265176681.7 361714998.8 439593150.9 281960357 341563865.6 292034790.9 365883050.3 237546711.5 408939395.2 251241703 424714207.9 248441540.9 259960435.3 257061827.2 275597333.8 244715372.2 361605097.6 229565337.2 291339970.5 282307416.8 281945973.2 216953961.4 129520284.1 156438024.6 242367213.6 219259373 292491058.6 436425568.9 239605430.5 346420367.3 358250942.3 175710905.7 162582274.2 204091680.1 156391486.4 224366123.8 180925115.4 354815782.5 194530058.5 158110543.4 164454593 179314936.3 273614077.3 339439183 186520338.1 171307311.3 165710590.1 179242599.2 190759299.9 266069161.8 216358400.5 109084489.8 125551229.5 117941465.5 115616092.2 118328068.8 194380744.2 205372483.8 246490583.5 373967781.1 267894978.9 149774554.8 200107256.3 180183172.6 175661729.6 169966925.5 Clozapine 5644817.492 7204856.039 1929066.74 661372.6942 693156.4057 5363188.186 13799410.8 810796.9754 1327849.545 1358847.849 17044833.38 4735281.201 2050759.788 39318102.19 4672138.357 2743045.862 2369037.515 2628210.887 3514070.049 2570694.557 2016037.473 2170103.107 2402275.204 1861145.52 1967310.522 1777158.926 1799507.564 1520958.921 1265077.398 1186080.065 1448085.54 2545882.733 1942872.214 1391939.599 2257399.184 1381892.987 1907868.878 1778686.603 1777296.144 1820312.491 1517092.825 1760647.26 1655927.264 1407270.404 1582638.509 1502793.966 2099771.061 1540735.284 1620692.258 1729915.344 11395937.57 4951286.328 6546334.559 11661700.89 8882240.821 8982538.766 3646876.019 2804854.552 45067797.12 9587258.542 14042598970 14992867718 13419196774 13487321363 14617244900 11890913390 11473934102 9592980407 5855171069 10521920008 2558210.72 3813687.13 2055189.956 7792245.985 2690379.481 85206875.05 11761643.56 13264864.28 12294951.96 16071768.37 Clozapine N-oxide 1053398.701 1213873.586 1204452.293 962365.3074 1006831.35 1043119.246 1090369.316 1216836.891 1111037.362 1210766.056 940191.9841 879960.8322 729956.3367 768449.8688 903259.5051 738886.5233 737108.446 680457.9577 924367.0893 742707.8803 779069.2511 699034.044 946685.2281 786350.9038 1408206.391 1014917.075 1069435.6 839926.9636 941878.6732 862164.0101 978156.8861 756153.4774 976559.9172 1026841.152 1282201.789 1178850.065 1112784.214 2557815.282 1803010.564 1113411.006 863976.7538 1045594.428 1071525.741 919772.1905 941660.6269 851379.1894 1053762.392 988110.1698 773667.8314 948271.5792 1533256.53 1699083.212 1191392.4 1328803.651 1186546.879 1767667.188 1612406.72 1481731.821 1766424.482 1692301.519 756255973.6 749833886 671431883.7 699894557.3 812560426.4 529822945 517471601.5 561388403 223959832.4 615410656.7 889682.9131 937842.0193 667483.264 685549.8927 734247.7068 779433.4336 730099.2943 821221.9729 1083279.386 889474.3913 Creatine 999207602.5 1222518906 829919540.6 755377930.9 768520094.3 975786185.2 1389215502 838982043.1 1171515915 769537215.2 978267259.7 1268745645 936162770.9 902275381.8 1287588475 768100586 661288455.2 946201588.1 873529381.4 884098609.8 563329410.6 289454079 659326874.3 274431212.3 688792955 901803639.5 505447498.1 586328510.3 568124191.7 632555966 678272356.8 591796676.7 975591411 922271720 798788598.6 1037095222 1314241610 1417637909 923814110.5 1032140057 762783898.7 626760321.4 403377495.8 534192029.8 481337420 1319680732 903569507.1 719911803 1126211895 879858800 484277033.9 688935476.8 511403452.1 570316137.5 580516320.1 952153192.1 747329172.3 772454611.4 1020942128 994605456.1 330929039.7 561751532.1 360608581.4 656962941.2 330289337.4 481308609.1 319599546.8 344480214.2 325722143.2 305029702.5 562468349.9 416943808.5 478069067.7 467877091.3 474213632.6 370785755.6 431333645.2 253350231.1 323885316.3 323318555.1 Creatinine 72039382.87 29537412.86 78304970.43 80552854.76 72635853.43 52560408.66 51812271.12 32124918.71 94945890.56 38405105.96 38173569.51 37873866.47 42872153.24 34136807.44 53347680.22 40709389.24 35132898.43 34531819.6 40507355.47 39665113.44 26027597.76 19640477.31 52634953.49 23968801.46 41747110.01 37024575.73 26321260.03 36590339.4 36003324.02 40232545.77 76698485.14 69961646.09 87161524.9 93703408.78 70503248.4 109818062 76499353.43 65748205.88 95543275.41 106572742.8 80174437.65 104000428.7 87796739 94222802.72 84855970.41 34746353.98 54772808.74 49827551.8 38432307.53 52228695.24 58606781.5 67950364.45 56960661.78 25219443.33 53355488.61 67217043.7 75999376.92 93452135.72 59433366.3 38719629.76 62440806.92 79618196.92 48539278.82 106365374.4 63218311.73 66278768.79 50861408.94 53567820.48 46045478.08 50169262.52 48805196.3 59316450.09 60372842.7 61350971.87 59401238.31 48283871.87 64486064.22 51919364.67 65286181.57 65743576.51 Cytosine 32510326.02 34651696.16 36757250 28166810.2 21636219.51 16016148.98 22009726.31 25061446.4 28882461.03 24662127.77 16269215.74 21208338.73 20839852.42 19231666.14 22500531.35 16743582.6 15295644.25 19556881.92 16485372.41 20837866.58 21503225.7 17177222.41 16061494.84 15489956.31 18472571.64 16812576.87 16686476.51 17021676.58 14503556.99 15853732.09 16271210.12 15001553.11 17788250.82 14765903.91 17645783.67 19420739.75 18301846.55 18763607.6 18085973.7 17149140.92 22907407.52 21876194.5 22660216.71 20056597.83 22634638.57 20839579.06 26560800.65 20900287.53 17479908.79 20435813.4 34825062.52 25993049.69 35003523.52 35677871.6 32981419.01 39126591.67 28283419.86 33524769.36 36588386.34 35185228.39 35532786.4 61137080.57 57115302.56 27564301.47 38959417.22 39759412.49 25494237.64 31538774.17 25021149.11 33185028.17 26853568.95 27780429.23 24051401 25408053.81 28578072.52 16389336.83 14993771.55 18994949.43 21689303.78 17283709.44 D-Xylonic acid 79920413.18 98882937.93 78882030.48 122315688.6 131059516.3 75470375.33 222076698.2 107381383.8 238903802.9 99911821.97 83670116.33 78731634.18 101162045.5 68151633.42 102611284 129041519.1 81821594.84 99157314.29 90851338.85 84331407.45 32397349.91 38038815.29 48497288.74 32225665.96 82538373.75 89626743.41 35690651.12 70342666.48 119471241 101770274.2 69831543.95 118619407 106660306.8 94979401.77 102072854.1 162326196.3 77478104.61 82629948.11 108463880.1 145805730.7 117467817.5 123788073.7 139506982.7 152605238 166653939.4 65026573.82 61478119.35 71228315.79 62395308.65 55110098.1 88569167.84 99483533.19 84540191.08 92991115.29 83045427.66 182051378.4 130992485.2 66215822.4 170505470.5 247529653 78582823.21 76965760.13 131863538.3 118633238.2 98413012.05 133350629.2 88644705.95 75962230.06 52350264.93 82959364.35 98158510.72 85463667.83 73308547.12 147088503.2 90123092.59 107835350.5 138300765.8 121277972.9 180973933.4 161604568.3 dacisteine 5415000.399 4912325.649 5868696.263 4530854.226 3992134.443 5023628.368 10466723.29 2575995.401 5175964.242 2724413.851 993478.8658 1395226.468 743273.6291 522175.2664 872857.3342 929202.3982 1191051.257 3441106.467 1430128.999 4911429.767 1823428.155 1589704.236 828619.6859 2127042.424 771890.388 1714078.158 2501074.595 936893.0416 1302028.651 1007235.005 520781.4532 504531.9329 841689.1892 504836.2397 464904.9245 787635.0742 1098026.15 1116898.165 515844.7027 562301.3437 4863670.113 3264450.347 1061109.667 3633228.373 3115668.339 7538357.243 5370774.3 3153135.243 6621096.747 4558515.064 816601.717 5738226.975 2249825.222 2264171.365 1852328.353 8496639.715 8787534.432 16638915.79 9360697.744 9150881.76 2012888.482 3490102.936 3624490.524 3075858.915 2017108.445 4394330.865 3881609.649 8840658.983 16292197.68 9840143.993 3525782.663 4404927.55 7839592.83 7318303.915 7614230.22 4470976.41 8442347.496 3997906.059 3561563.611 3591548.837 Daidzein 3085061.213 3101482.343 2884506.901 2426592.055 2579893.819 3239768.489 14237610.51 8993039.096 7728285.373 9728160.398 3739100.108 2674801.442 4465821.61 3690889.675 2694886.669 14853702.27 6718038.001 9503028.04 11023198.62 9018987.757 798014.4157 1524608.788 3229794.419 1484873.934 3205810.589 848688.1233 317596.1865 2647043.755 2384603.19 2905738.058 10743460.92 1234946.493 5003878.686 4989102.67 5157921.1 2563705.278 1364410.055 2245521.404 5113238.461 2935702.895 7913007.745 5055809.503 1084316.676 7101105.158 6282372.833 1949542.242 2631100.938 8327195.176 1651718.666 7987953.805 1364727.725 3909589.361 1751380.884 1806500.812 1632637.767 1933726.276 3482949.673 6082209.873 2127382.867 2092059.815 2695696.49 1625955.845 1555206.383 2382730.904 2814956.729 281636.6533 4982455.166 1512356.066 1345510.674 1857894.592 2447766.716 1823506.836 3886040.101 5362866.922 4163925.005 2293778.483 4295740.021 4942691.455 4561806.71 4567643.665 Deoxyuridine 19084974.67 27254616.63 25664915.78 16773347.54 15706975.26 223489.829 16532807.59 7594898.491 19336462.54 6564645.27 18491562.71 27374222.52 24645097.28 22549055.77 19391267.42 10755515.14 12530935.68 8440413.725 12060457.11 15869834.77 6850260.806 3906179.604 7897027.444 6275379.215 7042808.605 7719723.062 5242500.759 8422261.645 7837640.932 8771570.841 14335267.16 10286052.26 13389436.96 11973659.4 14966099.54 8377477.29 11578041.36 9531747.109 9392446.246 13656849.13 7125300.184 11326884.02 10579277.47 12373822.4 9170812.383 8356342.47 14855716.69 7518592.712 7774351.897 8220631.191 22813961.56 20852484.19 12850765.37 18661381.84 17039239.42 11435274.09 10976339.79 19629084.53 14228755.95 16040238.13 17772145.78 16054117.83 15030831.17 13230362.07 14495679.21 20070432.69 8859986.465 13467932.66 11658777.24 10750297.33 21131151.11 19899791.07 14325323.75 18589688.02 15583508.23 7275837.04 9387349.015 7879151.263 7245302.864 7067321.927 D-Glucuronic acid 250551237.8 417898609.9 427572838.4 120470119.5 108602258.2 41399145.85 471260743.6 347904760 428389452.8 262202322.5 32585547.45 329391810.1 112150870.1 93280326.22 370991409.5 299731211.2 466198471.8 577957424.8 230913856.7 574706302.5 23833100.92 7426704.691 18082771.54 7485177.99 13697419.44 18353951.34 17228031.13 14802385.33 11285761.8 11910099.14 15604064.34 17534546.75 21302570.88 9045518.519 19241019.89 26139341.98 16591541.43 25317405.4 19669589.94 20606869.86 220819472 23028610.38 26196755.17 19737874.31 23611882.94 68955640.44 535402279.4 399634889.4 346436198 419382826.1 215338546.5 438679275.5 562691704.2 576703608.5 448601449.9 654955113.4 458987942.8 645652172.2 911354591.7 583661581.8 346017318.7 424764034.1 325523392.1 243568252.1 320985438.9 430188158.8 301232412.5 452138082.5 387444163.5 436143776.1 182571322 369251362.5 176992221.2 208522433 197541470.4 186339673.1 243271351.4 169665170.9 175769701.9 172332407.3 DIBOA-Glc 563975.6588 285168.8727 495562.1943 171559.3762 177909.376 321874.2241 1261959.528 428417.2523 799461.2805 450767.1002 4301936.763 2862575.598 3282230.194 2577803.112 2518919.39 2302978.034 3639879.067 2392223.346 3263105.996 2461320.92 481759.7656 1799045.833 5355566.993 1903600.456 5910301.973 949352.1348 135449.834 528453.9391 1487549.342 812643.4379 7994015.976 1199644.006 2622698.767 2550541.165 2650930.458 841836.8103 233362.8772 999177.2542 1527609.913 660309.9524 974734.2859 856007.8073 261181.6613 687910.9538 509533.8063 1210742.053 785211.0767 825044.4877 136009.6567 756598.7723 171122.2617 3396462.035 422520.707 486981.1381 373376.9517 207391.316 1485139.356 1029644.399 197164.3595 197852.768 1372259.307 116703.4633 111294.4896 1414318.126 1146131.933 89743.42159 181543.7924 93490.92221 342339.8741 91519.38588 331734.9736 345427.0861 1314157.943 1513897.743 1187458.243 901167.7978 2024512.8 1752536.09 1761068.863 1754759.584 Dibutyl malate 1438272.822 1469243.961 1661237.546 2836696.747 2436639.784 1327471.328 3184655.938 1986721.915 1965944.836 1908708.994 1309110.055 2523664.07 1427639.054 1175048.842 2499734.097 1566515.31 1359831.804 1400891.284 1665637.063 1209030.205 117369661.2 32017844.12 10524941.68 33954335.22 9657418.545 7075169.54 14147716.14 2140596.017 3363443.493 1864956.714 687726.7229 1179495.509 650286.7587 938359.0419 757549.4201 346134.7101 1094955.158 938499.1862 601666.5789 467257.6511 2076103.498 2006536.315 986294.1704 2550694.473 2720974.415 878092.3741 1975394.805 2688581.691 718241.4294 2712707.311 1118788.198 1536328.778 1500933.392 1611138.819 1431517.3 1207863.822 1000138.595 2213455.659 1619859.403 1273623.018 1475464.675 3642823.613 3861704.573 1381650.705 1571465.146 3609902.103 1268155.246 1721957.455 920277.9801 1706572.729 1493669.214 1334457.999 2849733.825 1820736.577 2770658.683 1196386.835 1449326.356 1228536 1250648.53 1241395.663 Dibutyl phthalate 11464912.5 12953069.48 16120734.61 14434839.51 16556453.78 7245947.632 9758363.287 18347591.64 14407820.5 19811123.21 9685774.075 11629735.24 16352618.96 7431890.613 10257431.05 11146191.11 6040161.251 8977093.332 11261917.05 7745054.129 2875875.853 6502208.747 4780136.941 6853280.297 6226537.073 4097011.926 2553142.793 986456.2941 2182448.19 1079203.331 171082.9008 87670.03211 1315526.651 119383.3669 1259873.917 139519.5564 1156495.439 1237028.746 1198639.947 138928.5274 2160157.054 224512.9108 234684.1552 128168.7926 50953.85326 869432.0483 2821741.939 1787868.309 1500456.975 1754857.596 9895627.618 12686727.1 16232333.06 19229146.68 17970703.4 12437923.51 13914562.9 3853795.692 14214938.32 11757216.87 9684906.07 8002482.242 11443145.21 9921506.669 8929273.219 9622694.576 8509707.438 8254418.197 7591396.87 9914232.921 12542793.33 9785399.448 7364887.417 11085912.2 9023486.824 6673479.791 8389767.857 8280559.848 8086684.451 8210399.594 Diethyl pyrocarbonate 67397617.83 58877895.15 63888137.64 56674511.05 61730968.8 62776666.1 126161883.2 53434551.04 130726078.6 74176577.98 55297908.99 31586672.98 69402717.01 59002608.32 62953781.32 50409018.53 81342758.45 67563091.51 59262313.19 71357992.84 34813225.58 26396582.73 46565958.51 38492495.22 43809064.75 36093506.82 39230569.07 47066699.32 50355712.7 59748216.23 57113369.59 89701428.68 80258703.78 73567076.56 53168166.38 116943581.4 59569148.84 48314451.58 62438896.26 121016045.3 68512997.9 65666261.7 113606267.8 71850200.96 58382381.46 53365100.73 31833328.55 43763777.07 39793550.09 36007602.63 58508002 61954899.7 48579591.94 60041842.73 53553118.1 142072846.7 74108074.38 57650434.07 132806310.3 124811568.8 57237657.81 67640200.42 58336452.25 86587453.76 82051240.52 93881613.12 51820318.34 73602626.46 47472255.51 49949497.22 65979098.42 67236352.33 55373620.75 87575141.67 61355757.8 57896566.32 74322394.34 94035339.87 72923538.6 72390150.04 Dihexyverine 2626589.72 5372647.5 3030276.955 3480554.914 4844546.013 2986214.008 3816048.856 5158149.419 5536178.356 2339888.25 3919009.082 2796997.563 3390104.902 2091128.543 2247840.119 3714262.932 2301609.518 1968060.57 5660002.234 2943667.763 4451258.71 3561825.018 3692503.102 2234715.87 2753676.431 4087298.468 3910736.773 2803438.878 3979196.517 2764653.886 4942364.297 2246045.951 2899157.98 2956568.753 2963910.035 2530257.381 3645656.843 4080092.218 3788713.297 3155770.186 2686071.832 4223287.019 2431568.56 3527949.485 3811117.698 10683636.2 3917379.632 3907274.277 2932442.19 3427905.727 8450818.718 4533187.732 3047388.459 2262031.002 2419458.932 9826557.565 7280681.362 5603919.874 5822449.886 9662865.927 6942934.985 3118921.033 2232157.777 3039209.326 4551269.078 3682270.415 2214209.96 1995914.161 1514002.433 2370821.962 3018622.684 3509304.465 3818969.01 2930020.567 4008158.823 4072670.62 2746842.386 2130212.343 3520628.057 2608944.78 Dihydromethysticin 731977.4875 503885.602 626535.0904 753066.1585 576401.7639 413167.2194 743156.6969 912970.5074 709724.701 967804.7834 1383697.07 1045298.43 1964864.957 1330701.516 962897.5717 1279190.014 1282074.787 916119.4248 1298802.252 782192.7401 2830405.102 542240.5611 697448.6162 612235.544 780597.0826 4652156.72 3591829.466 3512946.868 3355157.246 3501765.703 4661461.276 2941757.441 3507887.041 4515954.068 3557310.998 870117.3256 3801538.817 3938483.058 3585818.426 920449.3745 2646392.609 4039122.712 4125695.37 3846114.945 3862144.279 3828761.437 3984985.92 4046732.787 2668513.365 3679264.86 1154103.522 1674729.467 834900.0465 588302.1754 620983.2482 1662428.352 1323960.268 1376527.794 1294127.023 1731443.279 1623501.386 31184.49554 758959.89 853530.0355 2330950.187 674321.4382 1018431.324 1018250.212 695355.7411 1212073.772 1381312.763 904068.9282 834774.9006 1063504.318 852931.773 1790841.528 1104398.559 1456046.956 1421637.14 1478792.754 Dihydroroseoside 31923.1488 62307.43111 140815.4546 222148.8448 255684.7513 6263004.316 7188488.402 19482570.28 11529945.16 21103893.08 226764.3074 166833.5696 232064.845 71893.67163 157278.9731 3320991.518 4276050.227 11090451.7 11876585 10502580.09 747474.4212 49648.30159 255019.4144 54005.75529 67675.08881 11388826.14 10811031.81 6091362.323 4794512.662 7076802.828 393164.3158 255779.4284 1153225.423 508992.2131 949083.4108 6103450.351 6297520.141 5456311.258 5961667.235 6458572.367 355384.7941 544748.2313 464772.9441 467656.7907 66919.31302 9403026.597 6097808.428 956285.3116 6728546.232 815436.8873 269491.9018 143312.9654 37529.17578 38338.60793 37181.90088 3289923.86 4361594.63 20963889.36 3723597.506 3167289.704 125792.8354 431490.2785 489865.7524 136842.6171 231982.5267 14661100.06 38111883.48 10222615.07 7918132.56 12123673.67 341283.3007 126829.7289 32147.14313 44395.05429 183273.776 13906030.11 10026097.13 17674678.24 16994146 17025072.13 Diphenol glucuronide 985568.7778 1483441.83 525562.4665 4922699.167 5054179.561 4072890.245 4547899.645 6484185.315 2439128.122 6570724.844 3020737.581 2277404.843 2407986.582 2383956.469 2306542.666 8700339.535 7078496.985 3721804.953 3097493.759 3284693.146 4009490.506 7793043.528 3160260.151 8602118.864 3367058.411 1346282.881 1537365.374 3388074.479 2313516.101 2181734.799 7400632.578 1633051.805 4617124.423 4330866.709 4876471.719 5145810.555 4013974.545 2375436.634 4547397.328 4904594.775 5155006.298 6823545.556 4297987.123 7759116.359 7707863.184 313577.2566 1589368.035 5850756.457 621410.2586 4919878.569 133421.6444 2032385.838 425210.9568 216386.1334 206862.1204 547306.9283 1112858.476 5623889.271 281499.9935 193207.3266 372662.28 195854.9495 227557.7039 875453.838 396621.3609 174537.0868 4027082.006 714193.0942 5179037.565 816531.9536 1256846.57 3201678.527 2633525.758 4342431.676 2922978.403 3527058.729 3258975.174 5432116.193 5553582.512 5603072.373 DL-Glutamate 18581624.58 19148223.19 11517174.79 16215247.17 17285411.73 22640049.76 48052423.24 30221275.29 21794796.93 32497241.69 11228753.29 15170973.91 13320927.56 7612138.882 15136132.03 12455929.1 18435421.36 21340544.99 9362879.245 25904852.61 14750130.71 4925687.722 10718711.88 7044728.015 10279101.99 21576850.18 15919801.91 16607123.32 12404660.86 14944984.03 9028100.201 6046353.443 8266992.268 6729489.741 9531418.209 10733315.17 12790492.02 9952904.873 11546467.21 10944049.9 12568969.03 19990485.48 14196625.2 24527387.02 21258190.69 11253471.81 13713772.32 16348970.85 19085429.53 16107903.36 8019360.752 16649306.39 11905766.63 11351174.26 10826341.06 28256298.26 17309056.31 20547916.8 27953569.7 26291171.64 6785931.657 11756781.19 10102459.49 10310528.53 7281442.865 12559553.77 12987998.5 13103660.18 9483395.266 11634023.12 8981779.896 8573539.088 10553091.55 10764995.96 8262274.836 9107666.046 16160533.46 13649894.58 11013960.58 11355062.93 D-Mannose 5469078610 6373407582 6520506872 6841414221 7143045700 5300919696 11461520446 5722947654 13150210926 6025617399 5115069792 5371859034 5267477821 4577819619 5458833791 6775709527 6514439470 8126330768 8493783702 7394853390 2050784046 3309430112 6438650857 2877684207 7217488641 6650085341 3105996921 7351441998 6829650107 7715837673 5140198979 8786204513 6830243558 6605363338 7017299018 11351607445 5365963977 7459135852 9343918088 12689894307 6668664760 8909537310 10761943460 7616038989 8597973630 3644182005 3237552948 3137389525 3948011968 3030483931 5772658223 6619220935 6909801975 6329639018 6315977107 12972959353 8496855736 6083217223 12119892155 13476274445 6639558214 7646611166 6820928765 6650121161 6456817677 7696329701 7341277273 7467212566 3869311131 6966109643 7195615420 6072137642 7277490877 7940624559 6160327227 7099178803 8868797987 10265334378 9308118893 10354736711 Docosahexaenoic acid 299668867 176400694.8 271230372.4 264443792.5 241258241 260965342.8 346425278.1 330850164 305421124.2 340860512.1 142788710.3 164471616.1 153565146.3 196153845.2 153006411.6 106272409.6 87009873.15 142923686.1 135901665.1 168413058.9 421068607.3 326941155.5 214806347.3 311068912 238514485.7 230003818 321154010.3 223317008.2 278445524.4 176140474 150709409.8 240237363.6 282053969.1 253951517.4 205530037.4 222333322 307096667 347799035.4 250567203.4 255805056.6 265965672.7 173453776 196628812.9 116058617.1 114674953.7 328827655.4 301117344.6 335796039.4 226309167 298497881.2 319327951.6 125002213.5 189495662.5 212582213.6 241859562.9 253743948.8 87437362.21 179610737.2 299822684.8 307757517.7 182636181.4 276698014.3 332825166 158032464.3 176356163.4 187005413.1 153908241.5 260661864 133158468.2 236038168.9 141521424.5 267552378.8 264430148.2 124412224.9 275806655.8 114113792 179592499.2 185523864.7 177200209.5 182439968.4 Dodecanedioic acid 17918506.52 24333297.56 29335492.16 25053897.57 35419602.13 18826262.92 51463487.58 45107918.49 36855966.68 42236125.08 24501984.21 24558681.27 24743404.5 21274470.07 30699756.24 20296046.83 25921412.81 16700098.45 15173806.04 16046205.4 173810594.4 98387088.88 49288113.96 106535314.1 50750077.83 42726117.52 53433330.46 22186217.72 26099036.29 24520719.81 16678347.1 4968277.762 10270189.32 12210038.38 11436248.55 6644123.253 6342738.821 12320079.61 6106562.653 2530460.518 47428806.48 56706109.61 22087612.37 68327024.55 64733534.69 17261640.99 51393271.58 57979353.59 24255814.11 57206235.55 25109899.62 38776450.21 33948201.32 32105423.23 34209614.8 33007644.91 15515497.89 31087484.65 28490296.58 30728155.88 29537878.1 47368082.81 49860241.79 27531325.21 27115745.17 24083985.17 22594233.13 34931355.12 14791248.63 34963273.19 22399728.41 21258772.01 30578799.69 41570400.67 27607199.55 16511296.19 24149224.71 28251538.21 24263872.46 25080160.63 Dolichol phosphate 2721259.413 2534259.119 1969833.052 3071365.832 3464398.8 2171743.329 2611046.744 2609886.609 3697362.483 2364957.032 4511293.879 2410276.324 4743848.19 2808889.903 3155654.013 4226084.978 3944898.026 3816858.51 4505697.819 3542971.069 4067780.396 1213116.777 1047647.764 1371536.427 1539281.151 4832779.362 8204121.148 6000542.934 5504007.136 5357691.556 5499718.637 5697334.227 7351136.303 6626698.92 8424226.458 2016376.606 9351502.057 8318655.207 6343280.506 1905402.912 5398572.013 6669092.656 6658900.134 8364612.724 8302004.095 7554507.592 6722074.798 7184823.295 6534087.332 8456353.378 5009269.795 5385024.647 2635892.001 1390369.407 1753427.274 5558948.9 3951725.53 2930856.331 3201304.286 7475199.216 4499694.469 3948727.649 5192210.941 2985772.775 5117916.4 2513524.377 3551041.706 1921847.818 3478970.052 2610052.268 4038611.378 3387208.436 2558046.096 4516375.34 2451617.096 6250209.886 3023428.747 3762765.047 4513541.383 3835784.822 D-Phenyllactic acid 24013315.68 26738920.94 28851373.25 32235418.6 31191709.01 8115326.974 49092765.96 18217792.61 27780330.86 18553630.14 14098692.71 12140847.29 21525504.79 16311955.93 12053459.17 37611179.81 22899034.46 19439533.9 11472624 18860848.11 14312642.46 17268691.53 22823192.32 18858103.66 23539031.81 16177496.31 17239689.72 25233728.25 24275549.5 27211299.36 14633016.81 16215822.56 39943499.35 39185559.45 39974780.38 19298703.57 13326495.74 16794578.84 41474180.34 19008696 47688894.86 58039798.93 31126444.21 85767716.45 78956802.83 14868672.05 15610767.04 39604748.7 18119236.5 39804000.55 22533082.48 33751962.44 42223614.71 42839795.84 44774809.39 38321171.19 29673441.92 45893536.46 36892097.41 37284301.44 31060772 62450700.39 59428274.28 28885194.07 29544254.43 26217815.28 26998956.98 47877036.06 11513816.33 49978972.99 20553962.02 26768314.82 15850249.67 29925418.53 16262815.24 22343802.45 19349781.38 21913383.1 22832831.36 22525961.75 D-Proline 425474490.5 432047271.5 311090829.8 231389170.5 241654359.9 335275802.2 980781118.4 457769143.9 385809674.3 343649924.1 464896539.2 353598078.5 371077392.1 334146914 339588847 403004281.6 421736487.3 154184919.4 178096128.8 390364563.8 295107267.6 252050757.5 267505913.6 248265173.5 632659139.7 363839228.5 227275492 357449598.5 401298301.7 374398298.8 544586739.2 208668280.8 311511567.7 337064022 319180294.6 266058211.4 201025360.6 223008077.7 293428213.1 226132610.5 225699457.1 499057352.1 176901812.1 603271565.9 773072799.3 297893146.7 358617900.1 371612132.4 339043413 389071115.1 129592746.7 488487100.7 184317170.7 183513720.1 197541862.8 247347555.6 285847367 452088918.4 202538054 193296984.1 114137580.3 167939747.6 148934329.6 349551323.8 125731915 122790445 228577675.3 141319094.1 235925284 160435435.6 184455881.5 154706351.4 206838176.9 321335754.7 220910164.8 141577697.3 238805436.4 160423448.9 162447930.3 162729691.3 Ecgonine 2075133.236 3246430.92 6453231.492 5624933.699 5622309.681 9369145.008 17987275.47 24201483.81 7256865.715 29452010.03 898476.0147 838625.3588 1271708.18 1079105.975 1469458.977 2180578.352 1713144.527 6003385.387 3199389.769 6433065.829 18320209.94 4739561 4303370.915 4425958.557 4822866.398 10276425 35459185.74 9317158.948 7314304.038 9665727.784 745019.2106 955918.8462 1490955.5 958189.0396 1362043.27 3119977.634 7411110.06 5917466.291 3264529.248 3290639.431 4315088.566 4020370.726 2560292.512 5079406.059 4703840.301 6313098.655 5681777.133 5765346.361 10052054.37 5270052.016 4607437.666 3031139.113 7477186.957 6890530.211 6559036.834 14274178.8 13774528.16 19165741.4 14398261.8 14415279.57 5320232.258 11284368.51 10528995.14 3711028.852 5552033.358 36003143.48 8808782.971 17352105.88 7031751.399 17992282.59 4711288.518 5091846.812 7213250.612 3531018.435 7667622.873 4494913.121 5072326.619 6260397.868 6666945.479 6580350.52 Ectoine 27256172.86 141268735 64121513.05 161500690 159049325 88399721.08 71001975.22 26524243.4 73233794.22 20348732.97 24735174.05 51920234.95 43160595.22 47513183.57 52448863.8 46264197.1 28693627.18 357824697.4 37465458.78 348997306.7 35545658.79 19086051.9 12779438.07 11171169.44 16184439.7 16398145.52 11233456.36 18815812.37 18800458.21 15588580.49 8278763.704 10079454.39 13461278.17 11240034.24 19320716.48 10175527.04 8771341.08 9585616.336 16777498.58 11147809.05 41269493.16 115190750.9 64544740.9 250073153.7 273332660.8 11083303.77 10124125.98 18552996.49 10617039.1 15194513.37 113505385.8 59805606 18320874.91 19676064.73 18786062.78 17139477.5 31072782.32 22696867.7 15564592.78 23736647.34 13818075.67 14799322.9 13701557.08 23536133.54 14095652.35 14262595.71 38456373.73 30318984.77 27729835.68 26237738.59 241359119.3 12394791.89 53663784.16 41588453.65 70054559.92 27715549.99 31290796.13 28797941.47 32597423.01 27320497.39 Enviradene 310254.6278 259149.1059 379972.2032 283587.3959 268598.1112 238158.2384 273753.5426 305331.6519 312862.2554 292688.3493 282829.5731 198217.7882 245787.1662 186337.1666 295742.3016 260634.5444 185398.7692 174591.4705 254122.8103 189629.5741 304034.8254 208025.3806 293908.3991 186844.8512 223772.0819 345743.5202 371173.6798 323342.6371 231195.5958 341671.5031 383697.7432 232925.3405 308310.0425 242498.9697 311028.5037 270591.7021 370406.5761 398137.4853 288373.2492 290604.8628 240991.7447 289052.2888 352792.6656 343157.1278 257340.5781 358022.2264 424142.8388 297353.1765 294010.9363 279757.4355 389068.28 456250.5029 340382.7402 329794.6889 301147.5126 526122.2772 390768.3215 405702.9358 494072.9321 518057.7226 283766.7411 151891.6311 181880.6689 213816.049 197444.863 286823.3424 191800.4849 182094.2201 155607.0182 261779.6792 213659.4694 202390.3551 263576.4028 219054.37 252330.9433 296217.1018 182629.5563 304957.5656 241963.4636 269043.9017 Ethyl glucuronide 4434116.528 11994728.4 2099363.602 6159790.949 8369946.261 9097445.209 13780463.89 4444528.546 17880921.32 8962888.677 20324744.89 2203609.779 16035068.87 2421646.896 2550485.995 12114899.06 24728229.22 6555505.946 13985859.69 24122587.22 13380519.69 5802765.004 2570296.543 6023395.258 2665585.653 25506730.9 26009931.58 22477931.58 19280767.13 15507356.39 19212056.43 26626853.69 17916420.87 22921446.15 16642233.22 9587182.037 20081607.13 25718597.71 17653063.48 6696055.038 18166363.61 17134442.82 21124903.67 19495320.63 17165141.67 16997715.01 22506317.04 18487139.73 14145593 18844350.68 11490994.55 12080613.99 7160902.53 1650927.941 4815065.357 14093535.44 6177078.94 11003990.86 5750693.016 13886748.94 12540544.82 10723147.62 13581822.58 10735347.42 12881670.5 20598689.69 14380884.64 2692151.445 19193974.66 1168151.34 15548944.89 12095103.9 9433217.196 10801309.88 10420086.97 27207058.52 9219538.716 12365992.5 17070772.76 14622156.4 Ethyl vanillin isobutyrate 5516487.276 6135946.967 6604639.731 4891187.411 5018064.053 4324760.266 5740114.495 6275113.258 7119433.86 5400435.379 13616466.26 9631181.517 9666782.994 7563806.123 7329882.755 9887940.411 6567093.917 7821514.559 10884371.25 6541624.988 16022477.82 4840403.264 5634267.239 5121807.958 6255207.691 26454808.59 21510913.83 20330899.45 17911074.43 20939315.07 20475241.35 16585296.85 20139207.23 26231295.73 14768595.18 7805199.189 23266921.68 24441277.88 22875267.39 9326513.74 15480883.41 22783833.22 24737928.01 18950823.4 19470799.53 25640494.86 24042027.54 24007861.11 17659019.63 22366708.32 8032678.845 10072841.75 5865079.448 4132703.01 5073914.34 9749369.237 6656434.18 6825747.363 7220981.42 10772362.7 8462975.988 7072940.827 8575361.563 8081365.096 7465367.64 7193117.337 8949112.51 8868052.704 5458287.453 9256538.541 13152711.73 7600862.647 5212930.154 7054610.718 5253138.811 11805026.14 8717770.765 9768592.315 12134512.39 10472256.53 Fagomine 48260572.1 52510183.03 56306119.89 60987531.49 63198594.78 36052425.33 67271086.92 50868447.3 63952479.01 46381994.51 34111681.77 40790670.32 47497884.61 37574227.53 41967730.68 45920474.39 38216798.14 53962725.52 38571375.73 49269977.59 43118851.75 35945690.99 35003614.54 32785289.64 35705715.58 33984136.46 31121286.41 34958228.13 23698400.75 33989702.7 49395000.05 30584007.53 44208172.29 38607339.75 46060890.47 51871069.11 32303308.89 35693833.89 45305227.14 41721396.33 37489649.96 45054664.82 44813499.32 52491084.6 50697375.32 32113527.27 43393310.22 36119183.33 24120396.58 38258187.26 38649866.37 58991107.43 56290729.84 54910716.79 53677964.89 50780599.28 54795236.18 49443933.61 50501777.09 44096491.98 41829522.72 61241868.5 40293092.06 46196006.24 40505440.61 34909280.34 40671547.42 46992965.29 35958242.3 48037761.2 48863412.28 36567546.26 40345200.71 33186626.15 42617355.67 29107683.62 41294576.27 41190344.88 40270133.82 40817401.5 Fenethazine 283052.3562 2267079.17 2730130.161 281153.8946 1751269.73 239406.3416 2183365.045 1230664.543 3583408.365 269222.5163 317963.1363 465314.944 391843.6413 400208.1156 430634.9969 368935.6981 317890.7285 286770.8414 339015.445 298037.9762 217805.0136 270334.0301 350997.0226 329635.3171 335061.0175 314073.8703 367101.9212 248615.6648 304573.9081 239284.3005 298307.7001 266946.7195 282379.5689 336173.2098 299864.7677 334558.6096 284690.564 378878.3923 280710.503 339338.4655 261720.8526 299668.2273 376101.9628 359065.9524 352999.4663 346087.0926 438972.2971 310599.9778 288957.4199 297858.9093 399901.915 380113.4062 284073.9262 302048.7521 267490.4222 434749.8582 368511.9666 347019.0673 422261.2281 394192.7539 380795.0989 337836.774 281242.3306 257067.0676 372253.4673 327822.2309 301652.6482 331708.9715 305138.1668 363430.4728 426227.1432 344433.4268 307211.7071 324014.8704 274593.7831 419979.7997 318707 386193.8232 486708.8422 393768.7599 Floionolic acid 275604.2544 199316.2697 315965.7607 320230.0971 372142.5131 233658.3297 473080.195 573731.8289 980947.656 519054.3876 488637.3239 452516.8894 418604.0967 286028.7976 356521.5093 530462.2771 376241.3682 452231.2865 671560.1736 384176.8108 4811006.627 3110020.648 2032237.788 3305313.887 2134972.94 735320.5589 312580.1858 397137.1897 500362.5813 436704.1955 1982153.419 443079.6914 1032160.264 1023155.03 967109.6446 661257.0471 543644.701 466081.09 565828.6779 664190.4406 2212712.985 1339458.475 332383.3231 1220386.219 1247720.815 500019.1308 876186.1312 2580224.789 704482.3575 2754456.08 335686.5953 809920.0851 458420.4347 458756.4848 188879.8684 215842.8202 278476.7694 224633.214 233470.6696 55989.20052 291103.4843 279651.6769 334981.1458 718748.5985 358753.0774 144265.0608 620533.2949 662407.38 348623.973 522960.98 265256.9827 326313.1882 654934.8107 836086.1901 557477.4886 754958.1902 1860787.596 1753359.083 1665370.409 1615953.154 Formiminoglutamic acid 1035006.048 1501206.081 1121622.284 1792607.798 1800779.889 6523995.901 3096580.071 3046084.05 1593952.011 2601731.105 667093.518 415546.1474 1065134.641 675246.2699 445410.5379 4878315.342 14743728.11 2997333.358 3028058.863 3521339.962 293395.36 353552.1092 525743.4801 211786.2519 607254.8603 1094642.458 1375667.821 872502.5823 713839.7956 847325.8666 1101033.927 831972.4622 1871943.003 726230.0245 1735117.572 2119609.891 3804966.911 4026464.306 5845037.767 1960538.833 935023.5902 1056936.998 854177.7094 1880224.672 1539303.566 648494.8261 1985083.885 1343653.926 1371156.706 1105198.274 861861.391 3827209.026 899801.9599 913611.8789 1238160.481 1787335.16 10447518.96 5404335.113 2140635.636 1770095.578 1113390.166 879609.1152 548544.9697 921903.5429 1233027.342 2873139.984 3475915.301 2472134.804 2544892.315 2620781.338 1105750.028 1502558.967 804533.1146 1178649.494 1183562.407 4001491.554 6595537.509 4261671.593 4231350.601 3890589.426 Fumaric acid 37563998 23387043.4 17811482.39 21292631.74 22514084.99 15731660.11 40909919.83 23103198.33 22775398.11 13008225.17 13591039.36 13681984.48 12349561.56 9748933.679 13639953.04 11193579.71 16796093.08 22163965.77 14581162.79 24106176.26 7125909.365 3120884.821 10567843.26 3765517.335 10271051.21 7918965.447 3375844.68 5001757.05 4820360.987 3901717.279 12704271.42 4111206.837 5059044.194 4064322.481 6136599.271 7043659.151 9715192.888 16121242.6 12822575.92 8691863.848 44897501.42 44041477.86 16091610.64 30248749.42 38217629.42 18787703.01 31135260.84 40243945.45 24309438.56 41601350.58 26485328.49 34372814.24 39777161.16 39094936.08 27247966.59 32255723.64 28217613.93 39185656.97 40003442.68 42985996.44 9000847.612 12065260.68 10153846.05 31338744.87 5353046.84 11988354.49 18900103.08 14737835.32 15716822.04 12227174.19 34056763.5 19410806.54 15528249.6 20303726.11 13354072.07 10774879.02 19250258.34 15005743.68 15796385.11 15916063.81 Galactitol 9172272.177 27563785.71 54736361.51 4348596.27 6250499.116 2408870.421 12951206.06 6180929.319 7460265.28 5667905.625 3321281.051 2432244.779 3802501.402 2970807.088 2599795.08 3513976.851 3143104.795 3338166.33 4292766.779 3129756.558 5185683.944 3615737.312 4815651.73 6401608.264 3284441.23 3002683.44 3325846.247 4402435.279 2731958.659 3572480.069 2629509.508 5072309.557 6294658.755 4683519.021 5339004.418 5488602.582 2760014.508 2976495.549 3418281.781 6610028.605 6116406.316 15803913.94 12819391.1 33828355.05 60427370.58 4770866.834 3551704.467 24680878.74 4455931.275 19739654.74 7918660.601 7157433.137 18474260.63 14641996.32 31303327.77 9368260.846 8407488.5 39354852.45 8116328.94 4167983.789 10761141.27 5231425.392 3696569.374 11814772.05 11185123.34 3561303.58 5057816.813 4946781.224 10888951.01 5217794.863 4534084.928 4696325.793 4487822.321 5321661.037 3053803.867 3934800.223 5524499.816 4905220.154 3416597.752 4463088.011 Genistein 1252645.694 1529483.535 1751134.814 856898.9967 954235.8828 1751195.643 11970791.48 4786011.329 6917347.851 5451952.5 1559721.037 1435612.104 1989064.52 1542011.788 1352347.188 7355102.579 3549969.714 3627381.729 3475749.7 2874541.025 735462.2292 1142924.7 1880620.364 1312927.257 1710568.92 697231.1494 635479.4309 1730344.592 1627890.184 1620106.809 3046236.666 1235239.562 3155402.866 2676571.293 3374980.887 2420274.148 1654702.856 1877636.032 3839152.923 2564886.203 3979240.872 3034650.594 1014723.568 4606269.155 5294486.9 2436111.729 1324636.532 3952438.22 3580393.745 3846742.856 776068.0878 1834733.876 680546.1522 1068876.963 928664.4953 1550575.524 2749490.683 4027952.951 2019731.092 1577354.012 1811840.943 1153573.817 871379.1382 1739163.458 1946596.532 246186.3938 10581102.1 1075320.272 1402401.056 1289021.018 1104633.929 1513358.861 2489007.727 2899036.846 2796903.367 1657506.227 4318856.908 8334885.297 8001046.174 9043018.869 Gluconic acid 101619556.6 90271336.4 131322565.1 158706282 152871801.7 204449471.2 293579281.8 344404114.4 149853542.4 294247872.6 28619222.05 31859707.22 34968246.17 40444419.39 31880912.59 79563487.48 94079520.53 79964793.08 56969810.32 97030926.69 109710489.7 36650490.82 65496596.95 37793409.29 55802778.37 74624962.65 84077900.06 54867415.16 51764886.98 55507090.4 46044748.69 45920256.44 56534787.13 36135810.2 54036035.66 85862596.84 91485582.15 97050462.02 68211824.5 85712151.73 108903061.8 103964266 75334828.14 102421644 110013875.4 74013503.74 62064346.29 90224368.27 122480277.7 86106191.08 93566195.38 154020011.6 121821965.1 132830684.3 115469236.6 318398735.4 263192807.2 237186449.1 294164031.6 298571393.6 51133872.63 98259261.13 88941714.57 88090321.02 60569014.39 149793770.7 181613952.8 108224932.8 112462672.9 106267528.5 70334728.03 73328314.8 73537483.75 95395652.06 64420926.8 113188325 218241281.2 142791357.9 133915875.4 145904513.6 Glu-Gly 9880368.558 8831549.679 11063957.89 7598998.287 7668503.727 21328105.54 23628493.44 20073663.64 11692722.37 21036424.52 6282230.657 4103942.391 3715119.512 5700225.301 6139023.728 12109235.3 18355194.62 12204530.53 13394264.31 10608211.93 4734704.728 3538166.685 5178397.996 3505730.216 9239692.892 4603544.523 2696914.442 4509288.358 6147279.414 4537239.277 8069873.822 5080133.596 5673530.644 4846518.305 5444161.493 9112865.203 5073821.624 6946723.387 4140330.429 7844832.042 8845740.341 9893512.151 6428087.638 11442038.34 7473988.22 8314899.472 6710095.409 7846554.836 6049811.502 6160537.311 4820578.213 8898210.426 6217697.285 4577744.609 4760365.297 9943086.344 16956054.12 17935863.81 9482144.492 12429279.25 4822389.465 6629550.882 5046775.061 6637755.475 5007065.444 4049745.194 3529208.999 5461517.093 6770929.855 5223044.936 5473682.31 5558113.355 6233769.491 7314004.868 6846774.121 5486825.314 9394677.13 5275977.368 6005639.471 6518896.338 Glutamylglutamic acid 12937813.02 6834673.64 9677952.107 5881064.497 6536482.579 9783935.878 12788568.16 8074017.491 7673362.845 7121665.848 3118675.249 2145832.203 1549399.652 1903785.706 2315314.435 4057595.512 4882951.221 6372228.401 3552832.629 7342296.465 1699315.422 490897.6892 859393.0507 646352.4792 3549689.66 2656379.569 2473067.543 3155703.739 2556810.239 2813642.564 1897060.477 1958065.908 1678372.06 1543452.373 2155931.762 4881706.363 2718394.176 2459121.313 3466545.197 4622411.41 5835896.28 6124899.11 6362930.369 5416693.534 5364905.834 2872236.924 4235273.802 4398838.607 4797453.71 3356433.451 2985595.45 5676077.753 2241241.267 3640914.197 3080688.35 9583411.675 11408427.68 15972245.61 10728101.41 9280151.027 2099894.988 4151378.274 3600156.724 2278076.745 2019836.555 2085612.768 9882780.657 5720456.213 4711821.464 5868460.373 2120294.016 3351319.631 2233625.783 3584658.827 2353762.198 5492785.726 6764852.819 5969917.29 6357167.497 6054344.491 Glutamylmethionine 38409618.58 21287249.13 29483993.54 19135484.33 16745484.91 2201564.171 38897238.63 33151126.8 53421551.63 31501350.64 41564844.79 26220975.19 26063870.93 26698749.4 34709116.71 57454871.97 74206302.74 54688239.32 40103321.08 59163527.75 14919589.23 6079350.274 27359990.87 6826493.572 29238314.68 22522977.72 15870175.54 13122978.4 12980829.6 10842760.75 27123645.01 13619739.75 13892022.78 16589650.56 17226137.89 19954805.74 5834634.101 10503018.89 17239917.29 18351513.12 28622455.33 28468565.6 18696316.85 26320001.81 25662410.8 25819566.26 25532072.03 28768553.74 23326795.46 33429255.27 4773961.989 67871573.58 11196239.83 12563909.6 11497489.56 19073400.05 45651324.49 76055267.72 21542275.37 21722530.49 6736293.458 14787202.79 13528110.11 19802423.32 6768201.805 13912976.11 12271931.56 13799315.94 17386076.58 14739719.16 24414347.69 24660223.92 27122779.44 36966321.1 27799131.73 13325679.7 65539078.52 35475782.57 22143626.41 19829552.68 Glutamylserine 5323172.418 3500981.022 6034893.063 6590642.778 5729936.265 3888922.077 8635068.31 5868633.015 5108091.427 4941131.74 3278922.01 2694252.457 2690305.532 2615696.212 2160275.445 2253438.532 4349612.272 3858200.575 3760789.56 4347741.744 4104254.304 2111463.43 2690647.525 2185230.774 3021510.674 4640323.256 3313592.577 9687511.2 7432344.441 11544576.88 2927745.167 5479588.224 5125109.573 3344126.469 4583960.747 5000098.513 5131144.487 4365173.861 7464899.493 4705181.216 4057565.689 4785495.473 7374701.349 8580345.104 5920907.583 1967549.915 5744768.873 2295585.179 1756012.001 4587355.498 4034968.64 4100110.648 5722023.947 4757971.468 4209557.287 13603163.28 6393356.237 7922564.793 14197241.25 15113026.4 4228738.58 5025701.017 4309060.685 2734140.75 2705280.797 9056545.52 4413502.73 4483975.309 2886135.426 5399220.897 2973189.56 2740062.464 3583181.122 3566634.744 3786522.371 2654962.135 3518888.344 3222270.153 2989246.123 3240821.314 Glutamylthreonine 3547359.37 2602702.87 1694218.274 1911893.746 1436354.104 3230324.636 5166313.185 5684092.704 3992327.449 6662542.803 2617161.108 2585814.893 2318742.835 2307848.642 3589864.491 4133998.366 5457837.147 3785553.2 3531042.225 4618446.14 1416664.427 925246.7013 2101147.348 908310.0022 2558597.785 1436030.995 812375.5269 922669.001 1018792.589 1036295.062 2600550.224 1485646.851 2020868.723 2060986.341 2067870.787 3799076.426 1643586.377 2228791.516 2165552.435 2847563.442 3080443.099 2559406.937 1072029.531 2807314.066 2923265.328 2819637.758 2450230.497 2224252.352 3417245.346 1587115.214 696822.5368 5778204.999 734265.0499 742575.724 463356.5306 2427401.497 6599278.619 9889205.938 3093154.887 2559665.708 466874.9896 1627169.116 1627229.691 2276681.108 575636.8507 823152.0056 1565831.914 1378823.437 1491488.877 1512486.484 2777881.174 2062533.378 4700894.277 2614160.554 2943996.187 1551319.14 5720813.943 2019406.765 2279311.635 3204337.911 Glutaric acid 3993952.658 4901565.851 4746646.796 5139072.276 5571437.856 3141293.759 3685871.304 5294814.943 3612955.675 5048430.437 2407411.716 1272907.015 2501191.649 2826155.345 1224558.507 1951479.582 1014666.446 1676065.307 2997642.775 1659455.088 4036380.248 1756410.734 1961012.566 1858731.225 1682066.956 2424245.131 4061762.031 3592493.416 3328074.621 3754157.188 2543461.415 2096922.472 2662481.123 3302916.388 3088428.17 4465732.912 3994532.469 3851425.07 3967391.298 4045574.557 3546070.981 2698620.129 3815841.345 2995455.838 2600449.999 2770416.274 4168473.772 3513911.523 2511714.866 3391111.796 3382301.327 2739159.92 4521672.076 3427023.18 4674112.797 5185467.503 3107355.398 3713233.335 4496260.656 4371275.601 3760524.383 4637565.377 4378632.491 2900019.971 3534670.196 2677183.444 2605937.66 2994058.204 2099805.271 3041550.593 3104862.019 3375431.283 3291586.2 2451954.004 2883109.23 1964190.723 2503225.746 1982174.328 2882120.956 2352156.874 Glycerol 13537352.05 21824015.31 15268226.59 16513069.76 16270274.34 10729608.65 15300006.58 12895345.2 11715118.34 6135284.526 6909541.154 6833093.232 7758832.462 7887477.78 8055941.552 8583355.123 5549115.81 5847995.341 6617839.554 2050701.457 8792517.457 8410444.155 9073639.783 10624957.81 7368319.55 7777819.574 7904316.306 7455212.769 5312433.977 5400275.422 5997680.535 5524112.175 7321094.032 6463811.966 6262321.218 5805832.22 10027374.78 9796175.433 5328280.484 2165832.194 8073949.248 7245310.9 4695917.488 8500926.01 10707736.05 7936694.64 7988373.829 13235441.94 10464442.98 11950053.19 10289209.35 9659935.136 8848914.627 8190434.651 12179249.21 9519148.782 10754377.7 15034342.64 7379731.381 10191499.28 7417487.842 15980584.2 18784495.69 16050691.64 9710993.968 10083862.48 7765552.289 11221088.02 14137846.24 9000173.512 7876773.591 12460348.82 12737220.24 15522039.67 10118528.64 7346486.835 10769705.06 9306745.575 7960162.686 10416913.01 Glycerol tributanoate 48515.40773 49253.73186 110226.8668 127486.3384 60079.20136 63053.42916 527391.8232 895098.6985 840317.8428 935378.4371 66086.78515 102937.9241 54806.69865 26603.99237 51215.30163 145559.0254 193064.6581 213969.0694 118815.5525 288170.3752 228281.3942 128695.4226 91386.98585 58501.67604 85253.85635 2333735.221 2427807.704 118069.1885 131000.8321 128840.531 70227.70265 47353.98997 73400.4029 82651.77971 107170.2546 137595.1944 264629.9519 502224.1045 152647.966 273223.864 97310.96078 108826.4746 116975.0599 152682.9183 139122.0823 374120.5338 346818.3376 175765.6262 246467.2549 230621.9388 60194.21456 81519.29299 96649.9526 56701.82978 57385.62543 1016689.21 261843.683 295207.7728 1651468.63 1747634.81 98841.27184 276764.5991 356025.2646 43882.70709 126202.9483 3093110.891 1465813.276 4640978.849 292089.5064 5322921.458 47889.03948 86239.48519 77819.01223 67299.82385 41829.73827 70941.68827 337653.8179 208294.2358 207916.9928 205454.4945 Glycocholic acid 2965771.06 17459921.75 11393334.77 8141089.086 8031469.922 528868.1942 6654128.501 5913204.16 1353067.245 5832665.36 9456183.684 360916.1075 19842870.82 2090928.87 544166.2229 23396232.08 1819626.817 2678288.273 18570819.61 2502053.583 412785.198 904078.7842 634593.8633 2272619.265 524313.2289 465409.9679 626459.3147 692597.0669 448702.6367 456158.9845 429647.5809 301745.373 325940.4446 380070.8559 355762.8665 390200.6581 409478.7549 525385.0695 405680.7159 382687.3651 2606002.419 450798.8372 571498.4241 442471.9415 556357.6787 549536.1451 2981522.344 861803.6299 366312.8976 585014.1328 8997549.395 2409989.526 20356521.49 19438068.2 21656014.23 1538349.943 7022652.682 2270461.916 5173002.405 734611.9903 781839.7801 602250.0165 811473.3159 306967.6214 2539267.465 2540772.977 756750.2032 2016104.196 5148531.022 926079.7558 4909126.948 12735699.43 5160620.166 5283839.415 4802971.178 473221.4377 2184001.363 3173957.901 483780.3254 2718038.264 Glycyl-L-leucine 18671382.25 16929584.29 15936881.79 15781045.3 14835909.34 10312575.25 21594928.87 9454024.683 16419373.15 10920809.8 7270205.231 10339655 7474050.505 10695044.17 7476174.027 6614174.992 9345588.193 7855734.771 7976773.863 10847658.39 5599789.161 2896463.434 4158882.234 3150350.764 5019327.189 3051953.676 3154538.581 3779001.226 3592617.717 3971991.622 7121172.084 5631759.219 7755366.384 4930070.729 8155676.71 7419800.859 4548272.79 5151212.75 5418195.878 6807914.92 8321932.228 9258363.822 8865709.439 11909584.87 10821309.02 4517815.904 6706218.934 7411916.828 4434079.174 7693791.059 8797667.319 23743653.13 12986591.65 13085876.94 11624020.41 14331661.35 15573268.01 21407786.64 13144190.11 12706681.18 6824110.581 19155657.63 10796618.81 10006781.79 7217811.636 7764841.851 7410866.826 9284496.444 7586849.757 25209961.35 10003955.3 9058773.449 10256999.85 9580965.843 10492682.06 4941718.015 7051718.489 17551113.78 6330087.963 6037174.999 Glycylproline 13381036.15 6123610.155 11285185.16 17589293.25 4183432.698 4459987.748 10891857.85 7313006.546 7710248.246 3493878.544 3450454.407 3549303.685 3807442.873 3938990.29 3808371.225 4859105.743 7958611.542 5419058.717 4406973.45 6186414.086 4065216.036 2669601.643 6981295.953 3050256.531 6947514.258 2762693.658 1976549.597 2628392.517 2532541.459 2358776.045 4655637.177 3385495.449 3256163.683 2105899.058 4481382.971 2208705.77 1766216.383 1185912.899 2507404.152 2718080.288 7500465.487 6197372.474 4512046.326 8894344.449 8628061.675 2405124.85 5710455.426 5769129.252 3214097.48 5676529.588 3818744.476 7225481.741 4435485.619 10264563.3 3660834.808 5590583.044 8953539.921 9761488.427 13471808.77 11460997.62 6787785.439 5699988.017 4814306.279 7161105.026 5881392.63 3784786.345 5183883.373 6152171.929 4760851.785 6092580.797 9247012.709 5212318.231 6484799.313 6574589.403 6338565.294 4024272.233 6444541.808 4906624.275 4622603.952 4362231.094 Hexadecanedioic acid 2954961.497 12000931.22 28776992.63 13197353.58 15956373.19 5673256.074 8103553.47 22893052.61 11858781.59 24982660.23 5265393.241 3687681.858 4599785.951 2934892.495 3243128.817 1606037.122 1635610.568 2420462.053 1294894.85 2955340.157 659327571.6 377498688.8 71211162.32 406677289.8 68079629.09 70985732.21 70249033.79 11335902.16 22291405.03 14007628.55 2822113.655 1976603.954 2587305.274 2712131.355 3096489.601 2169084.615 4358389.63 3742178.462 2113913.091 2306173.561 14270913.36 10308957.44 4414240.094 7207612.174 7494484.678 9420654.329 13474175.56 20894536.47 11094270.57 20806268.27 30313255.93 20760277.41 50216152.63 53192812.02 55817458.94 26353375.29 8022249.058 12686876.46 26201040.42 22459635.53 43242447.13 107486308.7 101434044.9 25002454.92 40911973.13 56727847.86 8283544.367 35231722.94 5799502.558 41314337.33 9242611.682 10611482.63 18967144.36 8617297.815 19672215.64 4822939.181 6943541.517 9350529.77 10122542.66 9289540.735 Hexanamide 4890015.415 3334843.305 8123187.65 5796941.213 3711526.999 4318985.181 9176259.816 4699585.004 4068983.029 1331799.628 1150952.759 1012234.794 1208730.291 1362350.795 1453511.586 1668868.972 9531250.158 3061259.956 1581135.634 1429119.877 10788017.3 2257163.473 4391928.603 2237374.399 5156447.357 5209574.169 3115535.736 3988062.877 3814515.323 2711825.102 8716972.324 7492745.033 7682345.237 8525031.302 8371431.03 4380015.958 8108747.067 11593094.52 10663012.67 6238009.812 9690980.861 10664017.59 4749379.673 15301706.21 16007184.83 1231650.878 3790372.612 6672617.689 1985611.138 6704981.456 1953279.832 1451422.158 68285234.22 68761165.84 68593549.76 7834721.506 4704962.787 9580340.932 7083263.659 2038255.441 27344135.27 44655199.41 45489933.87 25773902.15 27204544.55 16238641.04 17208941.27 32398211.45 9104244.045 28343886.4 1696034.456 2031837.015 991803.8558 1373344.989 1095322.603 15638650.88 15784261.27 16899586.93 21860389.94 19520585.9 Hexanoylglycine 22465904.64 62981391.56 95475000 77133895.4 73518011.5 136098689.4 143600156.1 308092246.4 136139282.4 297076293.6 8473771.389 13108903.97 31247497.03 23871190.01 12785512.73 57945506.36 133735338.2 151567145.9 153579597.8 151154043.9 169876942.7 90473194.62 92493679.2 90536201.25 96155602.22 223023255.6 465071863.9 142202274.2 122213495.2 148291558.1 6729480.804 22908064.88 35767986.47 15534773.27 34428868.64 87761657.34 181441422.8 274398778.7 96065104.86 89646218.97 105545706.3 76725956.09 32372008.06 94288170.25 97127730.41 150382202.6 102173603.8 145078612.8 232963663.7 134477534.5 114525719.4 134738515.6 123954404 121021780 127362061.4 351025974.2 307214608.4 113111720 343003634.6 332534303.3 153105203.2 256439160.2 238767443.5 54156795.69 152218587.7 752811893.1 172134505 621695779.6 212698099.4 667955129.6 64395464.98 98271344.29 224848748 69627255.9 224279940.5 222990566.1 175579547.1 212343897 192404650.3 206777292.5 Hippuric acid 158890183 96203940.8 117944883.8 236985262.8 248336501.7 136297624.5 498724463.5 371921449.6 79253093.33 360332778.1 190704551.6 149923066.8 149852964.7 121477600 142988962.2 310248042.3 275693928.4 132931951.5 133346383.4 134723720.3 511202057.1 394452428.9 318029703.5 435183705.4 338156735.7 185808541 122803652.4 191987564.5 203608448.6 195299657.1 128687385.3 46515290.82 232114935.5 257265351.6 237802517.6 141191620 170698437.7 127141158.6 124697068.7 141382842.3 470591150.3 915832463.2 757235859.7 1385781990 1416430353 76914410.03 217938739.1 422233250 116436902.7 415866368.9 26573846.25 262636172.6 94510374.85 95713368.33 102088525.7 60471615.84 186442451.7 661165688.3 60569591.63 62182717.88 63556406.29 78440371.47 74058373.13 95698576.96 62733968.53 91983411.47 319890446.7 136447765.7 137130614.2 144141028.5 74134631.62 83341451.55 209859023.6 417483618.9 206318316.2 139308990.1 285162633 245661581.1 252943479.3 250466150.5 Histamine 11489091.73 1614111.247 5161032.358 1240993.793 1695900.61 2164117.847 1729899.717 1301128.95 1378623.393 1717141.157 12219856.1 48453692.85 10886781.34 14675303.72 46756123.27 15506172.33 1485009.944 2066464.743 1426204.256 2445801.557 1574815.961 1620226.757 9114080.222 1113930.545 8304159.669 2561440.294 925675.4159 1797586.05 2055260.391 1221212.963 11833109.18 3614409.971 9608185.667 12221320.34 11694908.26 3574642.957 5476133.431 6168016.606 6795697.287 3342744.259 3810992.035 3186043.356 2377579.93 2625756.27 2226843.679 2101307.23 2547733.569 2272805.63 1308255.13 1974485.775 1706186.584 2810991.332 1377234.815 1441076.811 1644505.179 1888331.993 1928682.402 1901813.736 1723646.387 1931744.573 2119543.337 7706687.626 8047545.088 4980308.07 1820175.828 1551333.598 1600631.767 2097135.218 1294838.163 1594411.742 1414095.449 5184938.862 2505992.933 2759680.238 2859903.621 1045165.69 1309902.685 1727821.186 1311469.977 833660.6892 Hypoxanthine 25799916.19 43428302.47 27256942.41 34675585.13 33633819.21 18101861.88 24412619.72 27771697.68 18583503.27 26832805.01 30586352.27 42134126.02 30382800.81 29664566.47 41517926.48 20015412.4 15927892.73 20775804.03 15679713.35 18422468.1 18014209.66 16995824.83 35827333.98 15071225.1 31230138.54 20149869.51 20895466.74 13560388.5 115809926.7 16796726.71 43916476.11 31984348.56 44376881.54 41392981.39 51210848.35 40506190.32 38958022.92 29019622.89 49624967.23 39231427.41 76541428.26 60479793.21 12624347.57 14777095.15 13753604.23 78029264.35 32211045.28 17155189.59 65520995.61 24309152.02 15538717.85 91378312.26 27597651.93 26816699.32 25908402.03 55438417.39 100000454.6 122623996.6 61986446.35 50045208.5 12845878.13 20594423.58 15656691.3 88055440.14 15403240.11 14679786.56 37045441.39 14735222.27 65854235.15 16505762.21 26143099.29 13398048.16 45000236.2 82517550.26 41004030.84 9105755.914 26143861.65 12614596.75 14933223.52 15442720.1 Indole 2384889.385 935551.1842 1948707.265 3908369.467 4018419.704 2240359.171 8098332.696 4503193.059 1414644.367 5847974.083 2568974.111 1737142.965 1955807.58 1571117.731 1661238.361 3864750.81 3944627.316 1866465.943 1717668.608 1841717.079 8615639.096 5589029.089 3757582.484 5413695.542 4598119.53 2771845.337 1840081.987 3400672.859 2938120.677 2770652.935 1753795.812 514098.8517 3090754.637 3971836.095 3665192.949 2257349.78 2460691.274 2121151.937 1908622.299 1914147.745 7480074.171 14895004.18 11101565.12 20764156.09 21561499.21 1646680.258 3637258.129 6896411.138 1460600.068 7098041.235 2712428.699 3538642.227 1252451.6 3187332.347 1341366.93 2677735.022 4683386.662 11716901.58 2656586.774 2771405.502 610181.7403 922947.4398 855532.2758 1338245.107 700351.0374 1072915.515 5130825.183 1417237.583 1533932.801 2043150.811 863797.8757 873493.7598 3170741.152 6713226.072 2869949.53 1800132.994 4147549.78 3195369.67 3315526.313 3022251.365 Indoleacrylic acid 4010800.065 3206624.648 2309236.57 3394502.902 3503055.168 739191.8241 4436443.58 2546104.995 4651044.936 2395482.948 2905888.224 2020065.266 2200845.414 1873672.229 1931607.166 2823895.38 3387997.749 3253480.238 1914595.73 3652769.893 5424673.644 3767621.21 3711562.634 3499463.675 3745836.893 2424160.667 2617955.094 3300498.806 3440096.993 4124836.414 2404876.958 1763409.706 1724988.974 2183660.074 2160103.185 2008456.112 1528940.326 1617043.753 2507549.564 1879867.528 9003812.265 12200200.59 5955163.307 20484160.88 20143136.09 2200639.289 2192032.089 5765196.563 2907038.404 6883396.365 2316802.305 4493588.56 6402097.316 6125104.527 6627163.107 4245909.475 5619991.345 8121022.372 4806575.928 4809868.924 5019322.589 5209854.181 4857595.844 5464744.44 5149592.123 2601510.757 2686183.88 5079926.871 1897938.699 5535833.529 5385722.161 2748121.814 4112516.789 6145477.956 4487559.468 1984641.866 3608798.847 3593765.469 3557163.216 3115195.649 Indolelactic acid 191111877.4 166798934.5 182217079.2 185796261.5 187970699.6 39121204.42 189479720.8 82271010.51 161406630.4 79838301.25 58335574.66 68221808.94 83961006.11 66929776.53 63002248.17 54691195.91 50365498.84 59262116.41 41032482.9 54294241.98 126337430.8 82175742.5 88777487.54 85015300.89 82962666.97 70568919.36 83979462.76 65529841.1 65782677.32 65250060.44 104530443.8 108211353.5 118438011.1 113510392.5 133075315.1 97995389.7 62970735.8 68922404.22 144774089.3 92743013.25 226748655.2 350871347.1 187572179.7 571666872.2 549803625.7 49558044.35 62112211.17 165749386.4 58594688.61 172053473.1 103609187.5 229122665.4 239816631.7 242736315.8 255873987.9 133352940.9 136671302.7 213637963.4 140347688.6 130214915.2 238034877.1 206464790.5 213528781.1 157608827 225992765.1 96474389.19 128876419.5 108114606.6 53468963.08 112177415.6 147617396.7 148751716.1 104413559.9 131086366.9 116719548.3 88114411.82 67724664.05 81962410.95 86086485.9 77112446.99 Indoxyl sulfate 259058412.3 150089092.1 193288500.2 489121210.6 528142489.2 269850084.4 426256626 311061416.8 235659116.4 307942926.9 154509.9224 227860.5938 378391915.6 121075.5939 325800072.4 123234653.1 86987.11273 114157495.4 103043052.8 90100.4685 461125887.5 511590229.5 419996181 542426377.5 319854103.3 146406489.8 155128943.3 203693122.8 196407718.8 242089511.6 234208293 2595004.572 175765251.9 256095750.4 219738628.9 85171486.67 124836916 92196521.02 35284257.95 85670391.09 247025385.9 517056889.6 353414489.1 637039366.7 573246528.3 150822243.4 239148516.1 606226841.5 133883941.1 443856327 23647874.59 245273944.9 151254407.7 152086463.6 152945941.9 26235490.84 88385800.65 232536845.2 31328534.21 29809245.61 69832453.22 49321506.19 82343.61658 207937640.8 87201.99756 32158485.88 97935.35828 84992.38236 88253.63685 26925660.75 305337541.2 266937001.8 279041611.3 516420662 266764913.2 99572.62318 102725824.3 103889670.2 113276187.7 119775655.6 Isobutyrylglycine 16239175.57 44753688.65 35477852.44 43664749.31 41490461.02 86881692.41 311083526.3 167598209.5 69605212.65 158881465.5 7941356.87 11068989.99 18515921.14 20491833.52 10694175.02 35361677.3 123041451.5 120672746.5 71671966.86 129718782.7 64418284.36 58694591.24 60042849.09 54919003.49 62899554.01 116618788.2 39635973.83 72603147.03 66215845.85 74023339.6 4764989.417 8794614.623 10142977.73 9345943.878 10695166.99 15456309.18 21098483.32 22799652 14563828.81 15130046.43 263359578.1 216654477.3 60368813.77 377453673.8 322419389.9 29542716.58 105183528.7 156070028.5 119219951.6 168146193.7 46027257.02 216029759.7 83217818.8 104022059.4 87968133.98 108436698.2 123327775.8 56537498.34 103859828.1 110274731.5 30402840.28 89908287.04 89489892.41 17413685.83 34093501.83 149817553.7 80480630.2 155288021.3 60175087.12 165135055.3 25869975.59 26153214.37 47688504.29 49198885.51 46665924.79 68290989.84 80505347.73 166922239 75877284.83 167839799 Itaconic acid 263404331.5 434027781.9 443319396.9 123603891.6 114606997.2 21958263.8 494668664.8 360487642.2 449816123.9 268640081.1 37507912.44 339921763.4 121323494.5 99608712.5 377665555.2 310536295.6 473256061.5 593276292.3 238728450.4 586028769.6 55517527.63 18472901.77 25733669.17 19767603.72 22285710.56 30701979.73 38863214.02 20273690.14 25140874.45 24986775.15 18040229.12 8597771.742 13892537.58 12656848.36 14089724.17 26996301.26 18556018.75 20905093.76 24126747.41 33874625.55 245693399.7 42696177.87 29496625.06 46349247.09 48163567.93 84217263.42 553234843.5 419511971.3 355672083.1 444423233.2 225582216 466113861.1 597841668.6 616341551.1 480538546.7 700529201.8 496243867.8 683485475.6 954238360 615507858.7 368430080.4 450802022.3 346644664.2 260998408.9 341598175.5 456261869.5 308918162.1 466252400.4 390826100.7 456372008.4 192847547.6 393179279.5 194453134.8 227392849.8 220345040.8 189179552.1 251648877.1 177536694.2 180323189.9 180823583.4 Kyotorphin 2309200.356 2541782.567 2351544.359 3091359.667 3009661.081 2130883.133 3392741.621 3871768.115 2624555.206 3890225.247 5595165.409 4198268.324 7161809.333 3646700.651 4029461.832 6551702.215 5185344.637 4570394.26 5536571.505 4299819.438 6577222.885 3030488.31 2957312.391 3045710.239 3288478.835 9100601.887 6872773.646 6244107.318 4481977.62 6051763.565 6880060.235 17793751.08 5776413.697 7034983.463 5173823.41 3050991.934 6125057.836 6373778.301 6282182.788 3368325.526 5624532.084 6936995.483 8575520.814 7078707.853 8648619.921 8762620.571 11778018.27 7963422.31 5663290.493 6400035.963 4354654.414 7286084.483 3122234.948 1779612.905 3119746.866 7383364.693 5196873.482 3817569.833 5001367.04 5936804.32 6590147.344 5019474.317 5237762.246 5414237.503 7078099.113 3032329.138 4627394.203 4586003.496 3724783.367 4311466.504 6740977.93 3764555.557 3568706.405 5439988.393 3546922.97 6885283.061 5953843.818 5449248.467 7793190.459 5712142.434 L-Acetylcarnitine 253249927.5 184461533.2 290130464.7 198564311.6 171181403.4 219339577.6 368468610.7 273989427.7 219515067.9 259680234.4 592867698.8 790278751 691460973.3 711207294.5 718329476.2 560060421.1 507961378.8 633538501.3 571239225.5 686542104.8 597397424.2 603352765.7 626109300 606943965.1 694249145.2 480948473.6 308583411.3 384053663.9 443503419.6 390873675.1 336555680.3 243627080.1 332271977.1 309439615.4 341853980.9 311591218.3 499595257.3 523850559.8 334469830.5 332465929.1 754019923.3 579689245.1 645719622.3 575751193.2 452639920.7 502334279.3 462995372.3 407607848.1 505088444.2 381539259.3 248910551.7 160778542.6 274170325.9 313914978.4 277952706.5 259139983.7 156627773 191460351.8 270441308.9 247993568.4 266057669.5 332523527 894460172.3 233200738.6 242937023.9 551296707.2 254736126.2 411725741.6 640668355.8 391188225.3 230267590.7 208612480.7 293899689.8 163985710.3 294970893.7 182400453.9 264046993.8 213521895.5 203977595.6 176043947 L-Arginine 529504529.6 454033173.5 408466185.7 449712561 340668993.5 242455473.6 684944851.2 180303118.1 409261875.8 152397891 668668837.6 454275714.8 506330930.9 456415911.6 478700518.7 375976212.2 378451412.1 408735487.2 616024784.7 360402945.1 401355643.5 312726420.5 571774401 342552598.3 642659074.5 195571634.6 309667273.4 483283834.9 476261140.8 491746618.5 701226693.9 480990626.1 647762462.4 651662993.1 642614589 368175322.8 183624603.4 114638989.8 145992308.5 321009896.3 385573641.8 411565645.2 426090228.1 600589679.3 565927594.8 234598379.5 268681558.9 345831467.5 331870389.9 335605180.1 188760149.2 489838064.5 255299601.8 273060441.2 283523352.5 210690470.1 256699126.4 388031301.3 179287261.1 216040206.7 247054642.7 251607937.1 231712352.4 411582336.8 314203953.7 130632525.5 250773725.7 122409728.5 178657567.5 154396512.5 405936591.6 318807765.7 366401082.3 523336500 436154059.7 187684231.2 219923622.9 238336556.9 266307734.4 247628704.5 L-Asparagine 45196111.49 38477878.31 29952361.79 42308257.41 41674666.86 115961372.9 75953267.58 57142444.9 45836245.04 53034672.62 40284421.27 14232293.48 11721938.52 9440553.533 10899472.06 18386942.33 12004777.15 56732766.45 19450601.66 61678564.31 13841559.91 9084154.266 73403387.61 14351849.64 67183333.06 43866756.87 11334080.87 62727208.31 52009388.12 48915923.95 31411818.43 22863426.94 14206783.42 43447144.96 40337811.27 33063235.14 24130959.59 34608809.68 30030362.78 47480947.45 54284359.03 57981407.4 27355531.83 53282475.73 57863282.7 25642370.91 37380031.99 52331380.45 40265960.97 44671705.85 35438568.88 43361560.91 139357394.8 95421153.62 115459599.1 88354211.64 92209193.14 63933108.43 89495314.17 78246594.83 40900724.47 21510028.15 61312384.45 19442405.29 34505101.13 49657286.49 60166048.62 18270439.06 10285135.26 52166127.96 51568578.31 22819715.23 36349978.97 40606755.22 43225241.49 41330257.74 95086034.3 45260032.86 43370969.02 54702291.16 L-Carnitine 350755838.9 275409913.9 249120686.2 219019362.7 277014511.4 456476753.3 418729284.5 284537276.2 599982772.1 265957520.3 755127340.9 957421056.7 789241281.5 780837091.9 830901258.2 1241207389 1188149973 761231019.1 1293652316 806689391.8 227704564.1 251227413.1 564398510.5 260360597.5 668871316.5 495656760.9 256514540.9 640812399.9 759431138.2 593736533.5 382863675.1 619867333.8 615524515.5 569197389.1 577750333.9 921184251.1 547060750.7 615232210.9 749212672 1030876482 541259467.3 528252464.4 607916985.3 452522766 441577613.5 530143514.3 445248589.9 352963458.8 361686381.2 318631732.5 428323804 244932002.2 393957217.5 414600049.4 355685950.3 400038141.2 395806588.6 295966666.4 406169692.8 339674682.9 234468889.1 300095539.5 242585976.8 331921375.2 386022637 475239900.2 537978237.2 416881614.7 503661145.1 447282757.2 368173577.5 280952908.1 322773276.8 433194145.1 362604440.1 532227775.7 562220664.6 552178443.5 543161176.2 562710227.4 Leucyl-Glutamate 33386992.08 25708682.28 25454812.98 19580664.33 19568048.41 39535219.2 72823212.55 62880042.38 49784856.39 59860104.04 30221821.48 34260723.41 31917561.81 24948035.33 30744256.23 58070154.35 62763422.74 57302209.36 43388421.87 55003702.69 25623487.36 14541501.98 22959669.35 14093886.43 24596954.26 22743986.5 19105074.5 19669439.81 19087717.59 20980365.19 29355715.06 14609912.54 24223802.52 18489396.27 23021073.18 41739161.01 22731311.41 30705127.55 33835233.91 44407467.89 33473779.08 32430285.42 25751262.42 36464630.76 35537218.22 37347758.46 31307734.5 29906081.71 37945190.9 29155402.79 13551405.98 68362766.61 18936972.04 18498259.01 17701671.79 39688300.48 64987380.57 132401304.9 40803506.63 39511259.65 14669153.43 23737993.91 21681171.87 22635057.45 14618547.58 14359525.38 20206671.52 25849752.11 23814035.26 26835716.8 22595479.1 24116475.49 27531127.09 33826485.01 26039798.01 17439495.56 37037125.83 28018635.33 26384703.96 27335949.9 Leucylproline 24760669.01 8242583.623 21831682.13 3745597.112 3918435.128 9891508.926 45650602.29 2872318.943 14977563.29 4416271.051 686064.1853 553190.6359 540821.9406 509349.0729 519364.6532 515321.5585 454448.0092 448418.7134 575287.9251 507390.1523 691177.2168 1358775.983 4553101.013 1406047.524 549257.9602 867132.9265 883641.504 742990.046 688517.6678 761573.8173 2923730.043 1100048.479 651483.0939 1729633.746 2738127.16 2311922.196 3049055.607 876783.2435 903247.0692 3014446.573 664368.0219 839291.4662 1723396.733 728006.284 14949336.5 1123115.475 873548.8245 5968968.473 1648253.98 4884870.53 1386446.154 9963327.716 4910737.971 3951105.824 4255510.606 4903619.551 3660234.078 4370408.686 5059664.605 5963607.837 541823.4979 530202.169 509052.6647 510681.2628 512119.1268 515186.6518 601019.9895 546029.4549 500078.3664 512888.4907 607756.1456 477469.9246 448939.9665 441631.0203 426835.8059 647654.6325 489441.9976 562368.7591 673719.8246 540551.5088 Levulinic acid 1505155.92 2279328.511 1594296.639 1150523.12 1931567.392 2245265.565 1402385.544 1688920.641 2335348.965 2066907.476 4951976.964 2326628.373 3655578.398 2440311.443 2567172.961 3393916.267 1879604.152 2698883.274 3858593.663 3026386.176 4825311.958 1690886.227 1600132.297 1568938.179 1555925.873 9214935.087 8624445.263 8419802.788 5618961.453 8009059.207 6683618.291 4571158.945 5356054.688 9011618.099 5726539.003 1769711.441 7434556.244 10625530.27 8432551.489 1472131.759 6146449.155 7216019.597 9016529.511 6140549 6246371.803 11518997.6 8513546.349 9593907.633 4762693.391 9881905.636 2302033.953 4056977.818 2311505.3 2701352.858 2770188.155 4086738.663 1809544.2 3819284.991 1847445.909 4095889.906 2712962.985 2810418.792 3962861.06 2962441.667 2474203.54 2801417.21 3462952.763 2036656.896 1939393.083 2022687.459 4917663.673 3022771.738 1950200.122 2345923.404 2067733.738 3801214.821 3724983.149 3119916.511 4931652.391 3186372.967 L-Glutamine 395168180.8 442515398.1 421517978 446711788.2 323835763.8 503297563.1 613214591.5 389770068.2 392298403 345726986.2 619237960.2 487820013.4 517128083.2 484630399.7 541440994.5 448021609.5 486219675.1 564525024.6 561970245.4 525444830.2 591534831.5 470251951.1 551500106.3 526030715.2 603221215 725891668.2 460856415.2 568511517.3 584724268.7 598938121.3 464439388 315496215.3 427415926.3 477958244.4 434129608.9 283262638.7 275102190.2 392164805.8 240342995 260048018.6 631787152.3 561888054 526128407.4 875217397.1 584495823.4 807502790 520704685.6 753925934.8 771332950.5 671958341.8 445027348.7 445926135.3 376257810.2 399615898 393354109.7 493003223.1 294824461.9 457909070.5 470871260.9 433085300.5 273747875.4 414161980.9 501182944.1 489728526 394470669.9 333877030.3 321071620.7 311136229.3 405663246.7 346205094.6 362780679.1 327996743.3 274153722.2 421911512.8 391798935 286772163.1 284896363 312982678.7 333581737.6 323574556.3 L-Histidine 220144134.9 129090249.7 127098520.5 165269234.7 133088801.5 86055669.22 185785770.3 136101451.7 126159698.8 127563661.7 109796839.1 131706091.6 113870205 105339256.8 94182538.73 116930727 141002972.9 135170949.2 147212841.9 105948465.8 169443669.1 123947599.9 178053168.7 137853720.6 96647801.47 84209839.66 95263766.9 161470735.1 151678926.7 186034440.5 127143565.9 103635816.6 130489494.1 139173563.2 120432552.4 91508740.36 77811941.24 94891080.05 72664316.19 76137950.57 157479970.7 122875469.9 73542668.02 199728534.2 160256631.9 100339711 108618034.3 128384811.7 73488366.88 119384719.6 75103786.74 129330466.8 141904914.9 140403701.2 128671302.2 159847462.1 97678889.05 122131076.1 139853574.3 126252548.8 93242068.9 111218311.7 117281785.5 105224823.5 80168068.17 86712218.98 90742062.99 86012345.17 70346703.19 95151803.45 65266427.03 65624505.83 72838972.8 83785529.17 44674593.33 77486196.73 84710701.88 82047597.11 77272729.09 85393586.77 L-Lysine 886593270 612664170.7 572164466.2 509184425.2 510326011.9 313956565.6 985876143.6 447033888.5 693092135.3 434426252.6 876421931.9 609464272.8 716045294.2 691593949.4 635146064.4 475256794.3 398057340.4 517547117.9 564333294.1 475805162.6 1107568649 611376225.6 928754919 642916239.8 855662711.1 802638931.3 699841651.9 899273569.1 795617581 924425365.7 867693608.3 461852166.1 668799229.6 689626311.9 683777008.3 311184139.8 256013869.3 255933959.9 307455108 315957183.4 829427773.8 812206646.5 546820986.4 872069538.5 874797418.3 409926546.4 595414949.8 686716643.1 486471354.4 652590724.8 247442013.1 775209467.3 390461108.3 408849974.8 503760206.6 426985061 415460602.3 554168155.4 398897417.7 391907261.9 295768772.2 447139321.7 402522827.7 458602353.9 291270321.8 284925191 435836430.4 237514561.3 342075522.9 297744376.3 402936352.4 363442609 477791266.9 487351675.8 442434994.3 199274677.3 357865419.8 315699297 319788662.5 291936129.3 L-Methionine 1049274328 670616623.7 857190250.4 698749224.2 732013735.5 849274998.6 1164541038 906005914.6 1112508694 894841136 1341097000 1120300823 1001692193 828712184.4 1003034418 1136713005 983542985.6 1041369986 1153164963 1012370353 799018083.9 648633928.5 1049201242 687197374.8 1081000829 1025672963 850422892.4 982357938.8 914537655.6 994908013.3 1015290351 466321168.1 740092511 746177687 749103715.9 655752468.7 594841173.9 674415006.1 710745043.4 666464567.2 838582700.4 878439581.7 556525500.2 897251996.5 805361090.3 805387546.2 943811000.7 808252162.5 717644742.6 879902513.2 349486350.4 1273655549 461142467.5 453468319.3 445410849 644948913.1 750551041.3 973104733.5 655053422.2 633874604.9 291593244.7 404068012.9 344093186.7 537050296.3 272330596.2 419618657.4 596737992.4 318835512.1 1043640555 337425701 701827798.7 560536427.6 777542186.9 770844167.5 754771202.1 392222772.2 751167055.5 459122475.4 515946693.1 449189701.4 Lopinavir 33191949.22 29693776.39 48921709.45 15434742.89 53476531.28 19061462.74 33026457.76 20940552.34 8569082.621 19207166.11 18098902.36 57702653.51 57698471.28 46464662.25 56608511.83 51713863.57 6626132.158 30015080.15 39225693.82 31961018.67 22217658.31 33793752.88 64647460.29 44196493.51 11314702.67 45565098.61 37334685.77 14100049.49 53167053.51 22052746.83 31297973.33 20013828.54 29834228.88 35267408.37 16558639.5 42139268.07 30856942.07 43688019.67 18680858.44 19524231.88 25336873.66 27781411.48 44388589.01 31575011.54 28392255.75 38490912.06 47769615.26 26173782.33 32372682.58 27528984.31 60624762.78 13681047.45 32479397.13 40904824.97 34330754.98 56850803.57 59189889.38 44528342.56 62948517.73 7250855.801 51890180.42 32384185.91 24624969.21 30334668.81 53119006.86 38682694.18 29842292.87 43297649.34 31937834.77 45605000.26 41550683.15 35074436.45 12003283.88 16337877.54 40223120.34 47685935.83 36894039.67 45111701.68 61912297.65 45289414.3 Loxoprofen 10653980.14 9521111.737 23727460.27 11729706.94 10269278.65 10534340.45 15002012.26 12935577.77 12642999.69 13799657.35 12412688.3 25016195.64 16281896.67 40464112.7 24192772.65 9772754.198 11142376.01 7899162.516 10916590.13 8155758.111 11450637.66 10821968.2 28226857.13 10406541.81 27947169.41 24633005.18 24929060.47 6757551.979 15385386.92 7935376.206 9354205.792 9955374.612 8745662.659 18281800.15 10401001.22 26955899.33 16190630 22273641.22 15247095.94 28816467.62 10168618.69 11115759.52 22104554.41 14311723.14 13863300.59 24131535.98 25691714.45 16850616.21 10540960.01 17565423.37 36892109.06 18105011.26 16055929.01 25706158.97 14520649.28 24043351.33 18861272.9 8126774.112 26120153.61 21763851.58 13430005.51 16071711.56 7028138.92 8203747.007 14031810.6 14508118.34 8500841.164 10025056.42 15214820.01 10623581.73 17309035.93 10502085.52 8127462.543 12174774.56 8827047.038 11364678.1 16953587.16 14876277.6 23223006.9 14569518.3 L-Phenylalanine 621721.8187 560524.5276 485188.37 618572.8776 509059.9221 385012.6757 1026242.407 529217.4165 1066181.283 520412.2007 499943.4083 344059.8827 548372.7829 402859.209 229024.7763 381572.4482 581916.8284 571856.8757 368408.9595 559929.0761 1837285.497 1072392.869 1201182.061 1203084.32 1282355.926 450633.714 555360.3933 1214539.921 1234263.175 1377033.579 444529.4027 270039.3175 388866.978 368885.5119 352553.4567 219884.5764 264818.2807 257510.0409 199278.4986 241957.2866 777096.3419 1036217.742 1026371.314 1233602.018 1299706.003 480372.0986 483476.0889 811977.8165 334083.7039 927042.5082 380965.7501 1572134.672 1158739.211 1134981.553 1275359.225 876856.8678 421305.1877 802743.4416 799112.4509 930780.8168 935453.9462 1667580.669 1616113.643 612332.6841 1064587.835 1111251.887 447709.4533 922954.7615 158270.8427 1127282.888 573439.3858 607612.5025 501293.0798 648264.1431 531845.33 280903.2286 586217.977 572287.6555 489541.4448 577098.12 L-Prolinamide 627695875.3 520700536.4 400062190.7 379666638.2 365335453.8 219078045.7 731928654.4 343173784.8 588442422.6 329153588.1 640775432.9 447044567.3 517967822.2 504694824.2 458088175.9 348706933 293185232.5 383485639.8 410236009 357271590.3 837327805.9 445099796.4 677561211.3 478043772.5 636665267.2 591438575 515723414.7 649866682.3 563885278.7 655723967 644466145.1 343858059.7 504258685.3 490764967.5 510740144 223947899.7 191720341.3 213159210.1 226270821.7 235888794.6 629480091.3 609346933.8 402643880.3 657254339.6 639957100.5 328532033.8 427948948 506728085.3 363113629.8 489102846.9 174672016.7 560175013 259599649 292948084.7 371776197.7 292377033.2 299516505.2 397867044.8 291499147.1 294751608.9 217178070.1 333199780 296676623.5 337232047.3 215329783.6 205341749.2 327886607 194378229.9 252991918.9 227462338.7 305758608.3 263735078.7 357394674.1 347830778.5 327965483 150103276.5 271546948.9 237360161 244203586.9 220489210.7 L-Serine 257929054.5 304731108.5 286648152.9 320286736.5 223289889.7 335679883 418157187.8 253260720 265533586.5 230235724.9 418539993.2 282120551.2 297848042 304599976.4 346670133.9 267332855.1 299127244.9 380845343.3 408336813.8 374913683.2 317220574.2 309718753.4 370990055.4 259502965.3 402697380.1 506944153.5 284603045.4 375403059.2 399612400.4 392400803.7 322936163.7 232703893.4 312165066.9 346821405.3 304867443.7 207568996.3 180406644.5 257081001 167136363 182030013.5 405188933.8 396635083.7 370861359.1 605284511.6 389327445.4 504246223.3 319818224.4 451682252.7 416473436.4 393335474 311315938.9 301639423.9 253255604.3 265742896.4 277387451.7 348658721.8 205840407.6 307581886.9 308740357.9 290788212.4 180693799.9 275255949.3 341496434.4 331916333.8 276316672.4 226092785.2 217922219.6 211214733.1 258070174.7 246242963 238846981.3 215790416.5 190942067.3 291179679.3 269367809.6 199936375.7 198569544.1 209538444.3 227475111.2 257640889.9 L-Threonine 65790197.86 43865375.49 45469196.52 30621885.74 36238161.18 41203227.95 76460065.27 53729485.17 50416154.82 48590263.37 137955910.4 102747782 59955253.13 55696749.76 88541890.56 45396762.22 53215743.4 53196000.43 76148627.63 54330909.44 76157006.13 44527692.89 97192473.75 54417558.47 99290868.06 98324612.07 53598988.07 77758812.99 83200797.79 75110030.5 97514232.54 43898530.8 64780542.61 84171543.97 72752330.29 41845239.23 31066291.53 33398029.83 36449885.15 43513547.73 75086285.1 72591823.17 37686971.76 73620339.52 66633731.1 47297088.38 53930110.16 54493026.08 55230922.44 60224027.23 21766227.04 90792655.85 22379000.71 23348731.9 19949072.02 26567952.56 46673795.4 49480328.26 27965585.85 23127671.89 14493312.68 20591238.08 24844773.13 38675414.85 23220379.65 19965836.91 23318065.33 17340307.59 28446166.33 18842356.56 45596091.41 31266655.6 47820223.12 52113186.62 64469356.43 21782293.59 29024594.67 27942163.48 20458239.23 28230053.84 L-Tyrosine 293753692.7 220310480.8 177790637.3 138248856.8 140099066 3433467.762 660764906 269163505.2 322233756.9 281335094.5 303695274.6 152859514.5 195315136 243706253 168280881.8 206201393.8 206748905.9 235227716.7 228344257.8 238252139.4 217199701.8 118597327.4 230767448.9 120594611.3 201240623.9 194518500.7 269065968.2 226042084 257521362 291847246.1 178326836.9 225620538.7 141953342.4 148789619.2 201376244 203325399.9 168321975 122109696.3 171978898.6 196239603.7 197539217 272658331 177437786.8 225321039.5 282878666.4 138827656 162005886.2 178405765.6 132583903.5 172149334.4 160752520.2 318891178.7 174547530.4 182307856.6 150189037 200998049.4 164576518.4 308483512.1 179291186.9 174987889.7 101625220.3 149805079.5 82251855.8 173134774.4 103198493.2 97617026.9 107254770 117913653.1 236665410.3 113146923.2 127064333.4 112664402.8 157296116.1 153622761.3 147113105.5 100514662.3 97409581.5 87599339.92 138950526 118863887.6 Lunacalcipol 14597896.45 21862080.79 34262092.85 18849032 21024276.62 20215970.57 21339591.35 23373058.36 30436719.48 22275712.38 38617215.77 35926284.28 32555166.27 35289713.43 34873340.49 30157689.59 15530428.14 22944473.53 32482115.96 21377477.3 14797764.85 14716515.02 29241669.82 16586656.95 30970817.43 26565209.62 37010685.79 26185240.82 20035979.61 26071034.15 24997905.88 14573911.85 15537405.52 23819109.14 17862151.01 27489051.9 26782246.63 40697592.28 32749619.15 27706180.23 20074829.82 34129708.36 36019935.36 18734586.45 21358136.32 36212339.42 39050291.58 33516394.49 20371614.44 33821663.47 39486635.43 49561544.83 25763863.94 30263772.71 24713507.47 46695897.16 28676931.61 30322786.97 36798199.69 47979525.31 27141185.21 25138174.71 28097100.41 28475487.54 23600845 34633436.64 28003914.34 35595141.75 19145245.99 40370889.82 36007498.23 24664546.05 15719749.17 15521464.02 17967476 36489429.3 25652935.67 25273090.28 41503676.19 26609037.38 Lusitanicoside 818629.9667 910670.2364 1177210.68 955282.3535 1224404.177 555978.7771 3276115.259 2340578.064 1604324.41 2229235.325 1060918.031 894105.369 990615.3298 823851.4827 786423.9552 1783193.758 1927012.337 1114239.663 1069263.38 987666.0504 7610666.205 10473429.64 3416699.036 10606982.72 3796051.466 2711429.82 2999100.284 1808178.347 2060779.234 2099454.886 1230299.65 839527.8215 963978.5322 1141376.089 1002380.219 457077.8029 1041489.316 1024545.513 918588.842 420313.3093 1091617.133 1539101.76 1012100.693 1452860.672 1665357.156 2346124.634 2344579.131 4779059.746 1119691.532 5277190.422 628578.4136 1957651.401 726811.092 666437.7901 667585.1709 865476.0279 1644646.23 1573188.988 772301.0408 629168.2071 1248985.346 1094170.295 876268.2546 1053688.235 1045205.998 501480.7352 871649.0625 423705.0176 653483.5903 525032.79 1009074.172 877183.0562 717535.6592 1277546.704 695736.3768 1254509.46 1275982.848 1061763.723 1318451.601 1200698.604 L-Valine 1811125965 1071462006 1420410035 1144521074 1289493153 1300980398 2651681566 1485754985 1982184300 1740431965 1567674850 2366465812 1663471711 1666986000 2353797860 2386006312 1799353823 2691471671 2085111376 2136034637 1490930233 714124057.7 1979720377 700557456.5 2047804322 2590462174 1896428470 2532964774 2332504367 2141216020 1374290827 1301602047 1447252990 1232012154 1647602710 1155294434 1081281738 1540323383 1223147084 1560863137 1594401115 2051357775 1686503866 2374437924 2634549638 1307093441 1423003190 1633179440 1229271504 1609111438 944447344.3 1624706622 1112047554 1035271760 1154507601 2265473479 1664236822 1768681805 2233601449 2232701252 695632076.8 1298412115 972707275.7 1196127499 717099579.9 1244505044 1113778292 1510182098 1257562555 1218859040 1121359371 500053447.9 909386163.6 1312731936 874807099.5 1335850945 2079648487 1365663515 1384372460 1368484037 LysoPC(0:0/18:1(9Z)) 542805251.4 489058442.6 236373057.7 356454721.7 362999073.7 394349946.9 728127850.7 559312506.3 479016354.7 630506687.9 353999500.2 448964405.4 325924550 334011206.5 485770881.8 747766384.3 635075206.5 766649659.4 467110478.5 569591920.5 496335866.9 430450262.4 641309335.8 490309803.7 556797353 661028114.5 451191214.8 599549219.4 490224070.9 724711720 655217041 524489327.8 622896857.1 505718327.4 385953025.9 711021478.8 543775301.7 569688127.4 633297399.4 706726556.4 643663063.3 564637483.7 515945375.6 848047993.2 746346583 555871838.8 486262175.2 789189697.3 743733060.8 786917186.6 419641055 609850000 743613284.6 756727871.5 730977912.5 835110653.9 524587892.7 477154432 759858989.7 795346053.4 452141690.9 596227474.9 602889531.4 657510450 734854948.2 829958034.7 1088645845 629936895.2 540562606.7 798799561.5 523183016.8 433203335.4 602137678.7 398346626.3 378099977.3 459399738.8 1301520013 798743522.4 760791156.9 939214544.8 LysoPC(16:1(9Z)/0:0) 755181550.7 874946209.9 463788182.7 579563491.4 483715743.8 685350716.2 660701723.5 902761428.1 753735307.3 989245868.2 294857304.7 367361390 402970253.7 324309005.9 370628930.8 810634908.7 632496061.4 743612519.1 652428128 793236320.7 707884002.1 560355505.1 837673534.1 553716053.8 813541916.5 761702734.9 819631103.4 559638694.7 585331238.4 533140757.4 374337136.1 339582203.9 424696324.9 329545103.4 443810408 688630944.8 518524315.5 455533328.5 662951174.5 668432135 225823856.7 675347278.2 680175114.4 843800486.7 773994894 689318541 557935833.3 810798247 383379103.1 852818075.9 567229805.3 553948561.7 802073739.1 788790256.1 905925101.1 1023733928 575473686.9 905577312 1027168766 984591091.5 671490416.3 1046199048 928496874.6 535052271.5 771858434.7 1302406337 1489682017 1038931937 828850769.9 1155400488 446332940.6 608060704.9 488913931.1 480743537.6 541966938.6 994367817.5 957027182.2 1168379292 1132756577 1259546545 LysoPC(18:2(9Z,12Z)/0:0) 7825502196 7460803769 5269936751 7298298117 7208943103 6644426169 8337309577 9484145161 7962508967 10114774459 7587956296 7629686290 8319855887 7551581117 7784680962 9219640663 9730624931 9192777452 9307601839 9509894392 5682251328 6917599806 7584913768 7164578962 7819265432 10017297163 9878316765 8974720885 7574818649 8711564299 8671221401 5691510134 8023973997 6881872466 7464780121 7119992002 6512380511 6212943263 7664795173 6754378627 7346854303 6860116267 5325314985 6027381461 6891341314 6959816654 7280786530 6042164467 7280313249 6796060719 4299796499 9244321154 6837081686 6719373473 7148219243 7169439094 7332181341 8714645579 7690841665 8235977773 8380427870 8596310923 8063520454 7504950443 7305840244 6986226545 7040107331 5758487881 6356618111 6107858217 6954636410 8171535549 8699734749 8840836305 8233438558 6256553056 7632268875 8216392922 8316654864 6765734941 LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 112062612.9 150180712.8 71770051.14 149834094.8 159986961.5 80104898.15 182020514.5 240826180.5 141801886.5 264779230.1 111647865.6 159095296.7 133770878.7 115848884.8 130146154.4 247287842 179839086.6 232254610.8 175338202.1 219272091.4 209871124.1 277781391.3 411831912.6 298146736.8 366832492.5 186153712.2 200963989.6 203199762.4 219329358.3 184953086 298479877.1 221610913 255906706.6 266931952 211720855.4 264840131.9 100462152.9 124987863.1 161246028.9 286493476.1 212863022.2 284000855.1 202123459.8 262298723.5 253038550.1 158647748.9 161556291 280084148.2 92038956.8 282841308.4 105989856.5 249413677.4 150097560.4 153612204.1 165237520.5 114372290.9 104002123.2 81398860.94 107438422.9 114602842.2 142128355.7 178158423.8 154005067.5 135964897.3 146248934.5 109263162.5 260404163.2 141285244.1 124012354.4 145702291 185911791.7 230422572.1 206670021.3 199481319.2 243437361.6 179388687 206619208.1 284930941.1 267412449.5 314021130.4 LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 79954193.85 93368146.08 52522907.07 63692284.8 76035861.22 47535582.67 99169209.27 65343894.96 63124510.67 77863362.56 31121067.46 65058342.03 42100710.1 45850234.11 64332320.05 105206883.5 55486211.45 54118880.58 89577581.82 46943170.96 43739640.34 36235668.92 39223865.36 33851408.07 33083290.94 76361199.91 40053601.78 82350285.53 65240959.38 66013722.44 28631556.68 23823646.53 29098616.65 23633191.2 40229933.45 56249406.57 22934669.26 24953824.1 56553883.53 56060174.49 47217834.48 49753181.1 61475757.73 68926421.35 66466098.53 45350814.2 43507831.37 47769249.44 33002486.11 48485187.84 25368314.39 23054921.05 20123746.34 22008588.2 24640367.41 27919438.88 33467922.9 42600284.65 33648024.37 26767482.67 37785912.38 49574597.35 54802058.09 43091668.53 42421859.36 109054037.6 137332404.4 60846378.12 96261974.21 66567841.36 70740162.85 34089249.7 36906197.41 39223249.08 35927158.44 44269402.18 78508326.42 105102732.7 98659702.16 108131468.5 LysoPC(P-16:0/0:0) 19332702.73 20056922.64 33368536.66 25117970.43 30349328.97 16721615.18 32611787.51 17752237.14 29271809.83 20916174.28 18737746.51 14545803.83 24037174.62 18582350.03 14535713.97 19923527.35 15218094.15 19497102 21755961.89 20045118.44 20356417.38 22632885.85 19077217.03 19199208.04 14995161.39 23608522.43 12150123.12 27383777.7 23982158.37 20965990.83 19609903.57 7350201.862 20999426.65 17625855.51 20659592.73 11611013.48 19663308.21 11841670.14 20669593.21 12545842.97 19464907.69 21961931.79 16138762 18077540.21 17394505.34 15515977.59 13392077.25 8019661.335 19212622.54 7526701.415 15560529.95 29726532.12 25814397.46 26548197.11 31139223.09 20736512.62 25329155.93 26622422.5 24498739.36 24283194.11 27164102.79 21275268.01 21421108.41 20172128.18 25401142.89 11149370.72 11582092.99 8089805.028 13218498.17 12082104.66 21472172.16 21257979.38 19410364.89 20478118.8 17051180.28 14265388.37 16630500.39 15438291.41 13951882.29 14945843.52 LysoPC(P-18:0/0:0) 59979701.18 65160114.43 66176646.4 71644257.23 73637857.83 56069505.4 97390567.14 78681955.37 80390582.2 81578446.67 49333069.09 53600789.82 63670826.5 47610638.37 57494435.5 73833837.29 74325644.43 75548264.61 73319509.53 72418341.61 52314695.75 52521022.26 45252757.55 56003881.72 42820045.88 81089509.85 72805073.33 101970120.5 72224779.66 90460957.4 67618854.68 23931541.74 55960926.97 44261366.68 56605852.86 52983229.92 53441473.79 47622489.59 53171410.93 54187308.03 52463803.76 53622869.98 53627746.64 64635354.36 58542178.66 61344991.62 58753539.04 49184773.18 67015375.77 57347095 38482208.02 85376497.08 67116400.5 60352869.65 72184162.66 79650237.33 65093402.01 103689753.9 81351145.16 77425491.14 65443586.12 71246434.38 69025934.31 55152704.71 68617605.02 41098102.99 41176308.4 28443633.8 34425984.13 30303486.51 67819731.68 69042436.8 62024921.77 76122388.41 69003003.54 37895282.31 60474195.61 54703239.27 50650408.63 60820344.62 LysoPE(18:1(9Z)/0:0) 275389468.7 173673495.3 182042561.6 236638532.6 257769385.6 234768566.4 283062747.3 213515773.1 209598908.5 212336672.2 146276762.2 185211504.3 188540248.5 144313088.7 177132263.7 268470248.7 211161712.4 207544954.5 239740035.3 192805456.5 168841693.5 177895471.3 198778928.2 163483546 167328137 268640939.5 202533906.1 258769277.5 219567263.7 246391144.2 220117476.9 117422349.5 185169443.4 167716676.6 192243711.4 162253086.7 159222679.4 166191269.2 164122194.8 166471167.2 168559136.1 150372165.9 117762924.2 155923166.2 176500099.3 186613883.4 163407101.2 143307589.2 164031521.3 158394354.3 140354684.4 184949880.9 183908143.6 174382053.6 188177937 285926376 164323838.8 216422568.4 309922900 288542820.5 149816023.2 175100960.9 183735975.4 147992485.5 167391824.8 177318366.9 169722278.2 107460515.3 121913063.9 119086665.7 161446600.4 159555944.7 184161095.5 199561028.4 209360382.3 124393272.9 175273872.5 157829918.5 162403590.1 171645183.3 LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) 251410346 281608681.7 309853788.5 372730167.9 336511285.5 270586973 200433529.3 449859147.8 182327505.5 421575607.6 232714415.2 276478167.5 259133562.7 243987478.8 271611787.2 306988917.2 316887211.9 203216621.3 233361153 234547946.6 329778044.3 368581079 232572258.1 329435494.5 235987957.5 415227114.5 385561345.6 301697079.1 285156554.6 306044594.4 399753537.5 192944355.3 330734833 336128608.1 363775241.8 287236460.2 283182786.7 355420384.8 302493374.5 250186158.7 301792230.7 261472461.6 215714663 236010214.9 218633829.8 408677259.2 321555429.5 324958419.8 339980040 366336751.6 143020989.9 193054477.3 201355920.8 209471044.6 207039801.8 242504439.9 220392277.2 200109015.8 253231169.9 222719915.9 227155411.8 385705061.2 369029242.8 207147913.8 201188066.5 343446419.4 243922456.4 218474825.4 227192015.4 241853299.7 241299399.2 230236814.8 359560885.1 248368752.5 327911918.4 171294341.2 253760286.4 267087446.2 252935358 272188524.7 Menadiol 24661895.26 23798664.7 34371655.39 28575826.93 36250935.73 23422953.27 28424540.02 31358657.17 43446175.72 32776833.96 74803850.6 36693852.68 54001784.66 43006373.35 40526492.32 53250298.46 32690187.54 38308917.59 60868434.75 44495760.59 80819126.42 30594604.1 39845966.68 39593481.5 37615578.15 118475917.4 149034621.5 96204832.43 120138770.6 106260010.6 98769578.81 80354343.91 77640461.73 122011231.3 82931981.93 37711409.74 97076913.41 113372054.9 119596836 37356997.51 85605499.29 106797936.3 116679783.6 113169326.4 102549091.2 177547004.6 114876519.5 113435055.3 101400472.3 149429934.2 56004916.67 88014501.41 44665003.91 38492539.39 38524198.97 85985267.96 46349024.53 50225210.27 51494699.27 79259977.16 86707891.46 41098939.26 51691657.03 42486639.77 40754763.94 40592486.65 42802588.41 47662609.61 28694634.65 45160033.17 52723719.63 47844516 25151269.57 40849055.36 25461637.14 56092092.6 62467938.5 52842833.53 67644070.32 52233900.62 Menadione 2347762.148 1603600.025 2601430.595 2473877.606 1710723.202 1342435.686 2611930.552 3540457.257 3409083.012 2200915.232 9377741.78 5449747.418 6358438.667 5969653.94 6481169.319 6757701.555 5432185.893 6828632.14 6887419.999 5212681.69 3951400.152 2456634.393 4356052.598 3087388.267 4060802.981 7322311.42 6611930.51 6137729.903 5722455.609 6531888.414 6118606.842 4726421.381 5706966.648 8297270.482 4849594.948 4800152.91 7209078.292 7978307.158 6596810.837 4811133.075 6343926.52 10830482.89 7974058.451 7781310.761 7775106.419 9910454.699 7771830.997 10620515.12 5517810.263 8043718.182 2729836.787 3862944.506 2423942.585 1570545.231 1675005.051 4236463.135 1829743.448 1765033.402 2738739.535 4882626.196 6495224.416 4516082.631 5871778.24 4919333.085 6793810.647 4873309.077 6537990.69 4711426.05 4801502.763 5957727.43 7841383.484 4245955.537 3837054.905 5490892.412 3499886.189 8051185.343 5557052.702 5964436.683 8405798.656 6435156.715 Meprobamate 989121.2456 1471844.099 990466.076 1052532.212 679744.3173 430117.8716 1936548.112 275094.4437 1830664.173 551549.5211 677115.8304 1403163.608 677866.0519 495513.151 761658.243 1857500.372 1814562.538 1494054.048 985662.6855 1148868.436 268814.6819 156365.5678 468117.5272 520648.3864 567058.3189 830182.5802 168505.7878 547341.0373 504215.9366 491967.8872 1482175.836 569590.366 810840.3845 879041.4238 782956.3491 1168268.322 489903.7669 723193.6401 578376.4456 1056259.776 1335669.283 1225312.874 441253.6384 1323769.975 1740290.593 797682.5683 1002743.994 1217314.689 528959.6478 607966.9251 130024.2068 1873232.63 609460.2913 214884.2207 673425.3659 1328464.948 1828159.678 2380824.283 1509897.289 1393255.666 994104.3316 924068.9833 849870.1851 1721414.366 846749.8757 381770.3159 1046752.773 519918.4215 974412.0792 985131.484 1464600.907 876782.5753 1172369.581 1393782.789 1477637.267 991901.9145 1601538.63 1342976.181 1782826 1210006.309 Methacholine 55387689.91 59667784.27 52813349.76 64484386.64 63028104.77 33963172.76 42729546.27 34082023.38 29414164.68 29514623.11 102553040.9 169423862.2 86230317.13 116766507 161792274.1 76979669.98 48752537.99 51573355.43 53438560.15 73183642.89 62659940.91 43935228.17 52632028.28 39603258.11 55910814.75 38977335.82 48759555.25 36048918.74 33961423.97 38205460.43 35062230.54 30268129.1 29253552.56 28877237.2 33930702.37 39888043.56 23181731.71 35675067.21 32811463.82 44667119.67 65176491.04 47724954.76 33345470.01 53644114.97 62558471.12 83879302.11 56058080.64 68736522.24 39141642.15 68582928.65 36515262.93 39219378.42 46105887.58 46411237.86 42425591.48 41927871.09 26201144.63 33811025.48 41689238.37 39359585.13 51623626.69 49471807.4 63806632.07 20899276.01 61392233.72 37225887.79 17236808.28 25647144.63 17532653.55 27272934.61 33422352.41 43251672.12 24499962.8 34204871.95 27542337.95 19544085.78 33074103.52 25341924.79 34561795.8 24438340.32 Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate 1444087.51 2101510.098 4529889.976 2619837.727 2948237.175 255892.1001 457216.7814 441973.6021 880712.35 483983.289 605559.2199 343130.951 623021.4578 479291.6366 310601.9692 125670.6042 116979.3399 261242.2043 312257.4697 260170.9935 21438195.27 2882068.81 712241.035 3022356.179 803723.505 3974719.539 11137538.32 1013994.622 996477.3867 1101420.752 279835.4088 436057.8195 560223.1823 322698.9225 493918.1385 420811.9256 702347.2664 899646.0999 373350.496 467124.7359 1537272.098 1055546.158 1337565.713 524263.5956 433138.3917 629736.7674 808182.04 644572.4568 789055.456 781477.0518 2118879.254 734868.2673 1978210.977 2064050.115 2209812.466 1343086.645 766964.6813 860027.5 1667464.351 1484682.415 5095041.23 12752256.75 12293616.55 2790862.322 4398901.872 3606568.652 508129.1711 3968770.231 630847.6458 7134389.895 1321690.236 1342516.913 2033146.453 950953.9798 2103393.231 324082.9759 358770.7517 696421.4116 719270.7983 734153.7989 Methyl jasmonate 4075989.572 7427902.887 8432736.861 7414820.702 8909192.897 2041497.461 1748447.482 4398892.586 4232595.733 3033485.829 7811194.382 5576834.993 7541348.359 6375681.748 5380613.297 3579965.057 3228711.818 4436826.355 4678687.324 4468974.049 25392193.44 10166716.92 8405566.266 12371222.28 11358359.73 5529251.851 6404763.896 4268309.381 6121611.665 4673899.334 4759450.465 2906623.507 2724785.375 3826401.292 3134188.72 2877412.2 2360189.175 4524190.18 2844480.436 1664350.47 5129447.926 4469689.688 6214638.387 4214161.701 3404252.651 4039785.572 5129240.691 3874691.566 3908169.801 3945942.225 7352029.49 4403794.809 5854972.148 6008471.564 5476068.856 4649506.942 2991115.784 2824457.973 5322174.673 4713486.048 12427755.84 14873876.57 13705066.84 8625730.021 10727235.45 8054608.121 4843099.699 8527703.691 4693344.183 8111853.851 8512452.347 6852488.647 11128490.27 6400787.153 12666701.58 4930278.358 5912934.65 5408238.17 5661019.44 4937543.196 Mexiletine 2277034.544 3110132.216 4001420.763 4219111.586 4188777.429 6354663.132 4551022.352 30068056.05 11713143.19 27499020.95 1872758.241 2076938.558 2243464.37 1957257.468 1997087.102 6210830.073 4940007.343 8048948.081 9786220.325 8068815.597 5098559.63 10731361.36 6538311.003 12200400.48 6950086.718 8179294.987 12293970.62 2626528.929 3371267.316 3072356.95 1203402.14 1079825.883 1840253.779 1255696.306 1832733.484 5981205.607 4485499.836 6641205.799 5893593.951 6319346.692 1961513.26 1844886.757 1946846.201 1091673.041 1217670.9 6929758.211 3453674.972 3258013.213 5233167.917 3456236.065 3882231.876 2778547.445 3530229.485 4068312.36 3419442.432 14880400.76 8226493.324 7404600.09 11693915.51 12483227.94 5298188.091 9449794.008 6002463.318 3557148.709 5812572.98 10384095.21 10119632.21 16096184.03 8670703.76 18832143.22 4159457.887 4269874.941 5010386.585 3337718.209 6507675.727 11433839.05 12125483.98 9019460.457 12211196.5 9287840.875 Minaprine 234342.4492 631282.4684 319717.0791 634660.9657 744683.4708 394449.7679 1184345.064 468735.6568 895346.427 603542.3782 1066714.446 1950372.163 1154330.526 1147544.763 1956807.036 1645183.168 3168102.952 1208108.588 725854.6028 1233660.986 1031507.503 1620204.811 1353288.25 1628538.571 1641556.171 647831.5507 334167.1706 621119.6292 858104.8248 674460.5436 1662236.488 518830.592 989513.942 982893.5153 1261757.367 564253.3191 537175.4654 483532.4392 622877.6692 731795.1347 561468.1299 577878.2575 374972.0214 650922.712 559609.6899 320126.2268 779575.3772 595120.3937 572766.654 746148.9108 415213.8164 835875.1003 717107.7848 530896.8723 704477.389 1003023.226 637926.3869 323743.4825 1056331.103 1050140.196 1426597.114 867133.4969 972636.0236 1348692.578 1399687.131 392680.5383 241466.4749 248411.7521 384381.6147 152455.0989 473351.3626 987821.2644 1527667.676 1486782.612 1403901.308 491700.6599 738103.4501 706709.8769 539782.6863 650734.4723 Muscimol 1076924698 1300382771 1059787906 917340151.7 852210658.6 1176431824 1677694302 1202298761 1036658948 742357224.2 1467380520 1234870876 589462796.6 1011996374 1854728046 832923716 679017692.4 1162070607 1183786796 1167108377 683848895.4 555167246.1 922312251.7 447433484.7 837988453.2 1134027785 695639780.2 695729593.8 892250395.7 906867645.3 850234691.8 459815888 1024199249 1081175259 1310571014 929422862.7 1334115465 1360094421 843233534.6 915331755.4 843105710.6 895232114.7 840788299.1 801148902.3 628727998.5 1552879043 1155000842 581678845.3 1274504414 1215132585 561591554.1 899130454.1 713959135.9 753937827.4 642699838.2 917067185.1 665638016.7 785712083.3 932107880.9 1128630616 351507515 577630943.6 583459933.8 719668940.1 403315219 559923717.2 494781162.4 463093126.3 541557619.8 486120588.6 525672028.6 460296335.2 838027376.3 490758460.8 482162894.1 426045333 441588801.2 449065905.5 207314251.5 324228843.4 N1-Acetylspermidine 37572264.39 38918356.41 45683418.52 56918792.44 62744398.66 16727248.64 58674951.51 25357061.05 41596194.32 23886442.6 5572884.576 8159276.846 10352798.2 10473721.09 7140598.938 4185763.773 5890489.618 10467131.25 8478057.804 7559494.026 5336669.429 6885100.052 2830592.801 5760020.243 859060.7038 2891032.287 5666041.254 15674687.33 640935.0422 14744712.68 1310236.327 1132760.836 7325887.335 6991078.066 5743808.019 7037461.569 12648961.91 11533552.07 6712850.707 8954602.279 16256142.09 20363296.5 23368352.35 16744869.24 17776318.09 6784810.584 17169745 13183050.1 5593938.871 13222622.44 20128863.14 18632198.59 28014159.66 32853012.58 29147309.97 26610117.45 19982637.5 22160982.05 19394254.68 22186173.26 23890078.47 31767928.35 41582579.16 13489865.33 23072549.37 65829286.55 22455113.83 19516943.9 11553100.23 21645725.89 25297412.68 23745889.77 15019754.63 13358876.85 14141345.15 9039490.1 9350752.02 11075753.8 9092994.469 8509856.015 N2-Acetylornithine 22490462.59 19418293.9 18218717.58 8341749.983 15813535.83 28898782.09 45492430.06 30303746.97 37161987.26 28204679.85 23315912.53 23066740.23 33110568.33 37295207.91 25997687.33 51283959.16 39868350.96 38341651.95 22472634.27 33578309.16 31852012.05 26822778.96 20386131.71 20824032.1 20484968.58 19647813.69 15644042.05 26684869.85 24566730.78 26654998.76 20232528.47 13475937.46 20088800.33 20264138.19 23998945.97 17763328.17 9578603.537 15448229.64 23995651.81 20240778.93 16447124.76 26284526.51 10771593.5 22874462.71 32402668.89 15377002.65 15299957.97 23179933.19 13739777.96 21514936.65 10252436.01 32501692.31 25537859.55 24369070.65 23264310.86 14265469.87 33678245.66 30721806.48 19600820.34 16467100.61 25125777.79 18875532.44 18993830.17 22839054.06 25786483.79 21102627.1 37550429.11 27912467.42 37235479.62 31099107.71 15193079.53 16258108.54 21140474.43 19399815.82 19579199.06 27983426.97 32368081.73 28107119.89 35084617.58 31852783.86 N-a-Acetyl-L-arginine 42876126.59 25073242.57 19626902.39 17950123.71 26464759.84 41272588.54 78215896.68 34704578.55 55890139.03 33403737.47 43543524.13 45042040.21 21062151.44 21451249.7 47598399.03 21260292.03 36277510.81 41971545.62 31896407.4 39075645.7 46294168.45 839225.0787 28907281.45 1057794.622 30540227.03 41213879.89 41305385.46 30984639.01 21715057.55 30513166.35 19155303.57 21266934.72 27986733.07 25578906.56 28732431.02 26311804.23 35538297.42 55175285.84 30404304.76 22791536.81 23606398.64 30558936.75 17590021.56 20056241.97 25952583.24 31082423.61 14347007.94 19765492.07 25825798.9 23618339.37 14546398.89 15112907.85 14245470.01 13432925.94 9844119.326 97177468.17 65355516.97 31734641.36 82490104.23 86215745.95 8568404.639 19352975.49 13262846.95 24682820.99 7545706.772 1359588.502 18259625.47 972687.4627 3151873.264 1812269.125 11794272.87 6205776.805 15035321.88 18664648.37 12006463.95 13415395.3 20619802.61 11022191.85 1812647.719 1992873.558 Nabilone 10968200.71 1885606.328 16463103.72 8636688.505 7485268.77 992448.3256 24023475.91 16477525.08 440238.0904 17484306.42 1362924.513 7016869.975 2515247.589 2030144.415 7951956.815 21733283.62 367475.8631 9908541.525 11671971.7 7643473.603 32059104.31 11392016.6 805018.8521 12750328.55 750133.9458 5702608.24 68964265.95 2252182.617 1670623.209 2043334.228 624146.4858 451397.183 1120712.916 1005618.538 1086918.974 7923038.476 10010255.8 3240770.961 1966085.038 9329718.609 10346858.43 29192123.44 798426.8173 32862801.4 42970002.95 53771099.51 10311617.02 65759623.63 10738794.03 72451968.02 4602142.301 734037.7447 1798035.458 2215020.937 2778014.518 12605156.6 13836366.54 11114451.42 12715493.49 13662786.03 2653109.455 15269800.99 12067729.4 894145.4413 2879846.51 18807582.21 3937615.347 11094533.2 929534.1409 11349772.72 744218.2328 9719910.832 702787.8363 13384241.84 474308.6918 647460.195 539508.9501 578380.5381 863279.8361 536149.7853 N-Acetylglutamine 13489195.51 16011114.46 6887753.294 12272513.39 11310494.4 15789906.31 40151613.74 27213272.08 19535616.66 30042254.53 3712998.255 2374511.357 3881235.298 3246337.824 2108432.879 7573564.394 10546891.31 14716374.74 6260694.868 15380750.72 9235421.707 2824558.104 5532469.932 2682282.217 5089260.975 20698897.71 14607216.67 10966738.74 7690286.944 11498363.18 3411859.355 2920136.608 3806872.592 3285228.175 3792582.392 8251552.414 8736599.634 7117960.668 7246363.444 7585140.365 8789031.562 14633171.84 11136496.45 14629695.7 14863405.48 9619446.833 8822451.051 11637410.51 13822621.14 10595963.92 5270309.75 13556734.59 6972929.043 7622145.634 6915795.178 26004362.49 13838932.51 17414504.92 26366717.17 22418633.82 4262553.675 9544554.269 8407170.614 6201247.476 3975969.567 10393474.93 10722598.8 10526807.51 5413754.546 10942256.33 5447176.967 5900440.425 4890701.569 6495101.021 4301403.238 7549681.358 13873579.85 11052756.36 10323789.97 10438109.18 N-Acetyl-L-alanine 15572578.86 14608518.47 11446823.33 14876278.37 11805008.73 17993453.88 27310330.49 19458512.69 18690466.81 19387200.61 8150453.545 5950900.622 9525433.962 10458375.42 6026620.322 10433078.76 11377299.28 11444035 7541501.448 16131275.62 10823121.37 4353169.635 7070533.148 4859222.764 10070903.64 7091347.421 5688876.993 5732378.96 7703641.429 7601790.214 11431745.72 9845145.108 5970575.264 4829141.37 6153100.251 7175184.622 8638962.773 10046306.15 8591731.115 7930660.765 16999569.59 12877639.65 7739171.641 15442560.17 15104225.11 5585109.183 10084417.91 12607100.77 7755986.522 13286633.13 12038202.68 19353201.04 12673355.54 21480363.61 13606636.88 11646099.42 15465378.79 19505815.98 15951612.63 20678088.34 8207630.237 13327271.45 12644556.4 9258205.206 9960226.022 8683418.3 9337203.622 9387800.562 7582160.756 9788138.027 9340293.263 11893617.33 12614731.23 10183808.01 13928995.82 6550266.529 8349835.141 8967533.893 8508663.631 11386262.06 N-Acetyl-L-phenylalanine 65924397.9 52585992.54 38098591.02 49422460.36 47278012.96 29848422.96 99940676.27 49600118.14 86601140.47 50497524.76 44444974.99 23995607.37 53409991.51 38990738.82 23645166.23 37733344.15 50952771.53 51194325.18 38723206.51 50876376.26 150366055.1 108900247.3 116915492.4 108107581.6 120270536.7 99081317.19 61308120.25 112039389 110562980.6 116764737.1 43799650.06 23451832.7 28001690.01 28873630.07 30244173.7 22289611.51 18195662.87 23482220.83 18673125.74 20281633.96 74793439.15 87403033.45 96713981.59 117168676.8 116294340.3 37440703.79 44093066.86 80538504.8 31702546.47 83181723.64 32253088.14 154855736 107122313.2 105977361.6 111260880.6 82021250.11 59296781.57 72594924.22 84103592.27 84448089.72 85988496.25 160745244.3 156611096.6 55602506.74 84176224.34 90475091.15 33858440.29 86853270.83 18773204.61 96684975.39 49649068.6 48811276.99 43969097.68 67198118.54 48138136.82 23667532.07 48821781.52 51816609.8 51541886.01 52957808.8 N-Acetyl-L-tyrosine 17328071.83 7298419.187 5511634.416 5467398.627 5492935.28 8432364.781 19943992.32 10420337.41 15769712.38 11342855.35 12530269.55 4892757.014 10087047.4 8934542.024 4154157.668 3857253.582 7536123.483 5932866.299 5154488.188 7359011.811 49981188.08 10847694.21 16997025.02 15348663.99 14937197.83 41901168.24 49585621.89 27036638.98 25228314.63 39174442.69 8120121.306 3149389.651 7248057.707 6661339.71 7739771.071 5159133.402 7152852.292 4877678.239 4652719.447 5290425.932 12020239.68 23569979.97 15215287.58 27723437.84 40786356.09 5560516.486 6209586.489 15470438.08 4233862.889 12316854.49 7229321.29 29448582.01 18488661.62 17925852.59 19236632.32 9222402.521 6877225.575 14481141.67 10219336.93 9481934.433 9416013.205 24883474.71 27958106.35 8868590.922 9649507.119 9596900.6 5438447.948 11044609.59 3484401.933 8635923.862 8567483.26 9693219.31 5492928.586 11174926.16 5695474.283 3241786.828 3822878.035 4722657.612 4339593.395 4437518.175 N-Acetylserine 97260251.2 84789279.88 88840466.05 72102252.54 68982572.2 123163011.2 152755496.3 121368824.3 102513546.3 113460784.7 129250257.3 206840349.8 156485772.7 147532452 231890826.8 123630788.6 175823875.4 174290529.9 137238116 138071576.7 113809629.3 94592094.57 109955526.3 162230917.2 143444304.7 138808614.8 110134596.7 120067427.1 106687519 119457253.1 99397897.4 69616999.34 104902853.9 92908347.74 86296975.19 71062886.28 73954713.36 117339672 70140934.82 71486468.01 157302210 111010385 120021599.1 167521946 118338502.6 171044457.5 111339199.2 179453729.4 261516389 162452207.7 73228497.04 82569021.04 64166343.95 71816681.64 62668585.36 101449457.2 58757908.55 103385560 105758936.3 99983484.69 46767343.9 63530058.04 69943380.16 73654022.91 67895938.77 53914877.5 55006991.93 67789762.78 91012296.53 61083201.33 69692926.77 73533408.31 62002560.5 88000656.57 79518752.94 61353632.2 60515647.34 66675172.09 68337581.53 60825594.07 N-Acetyltaurine 6895130.803 7458579.682 5391021.09 9890048.973 10230603.97 6214982.585 11230254.67 9581259.364 5259706.076 9295558.605 4904737.89 3447094.83 4828385.623 3302095.846 3843863.575 6502281.58 4747155.931 4757561.058 4695570.71 3815452.092 8192898.169 5004549.926 5499158.506 5774390.171 7007564.769 8074709.91 6234886.902 4550270.568 6193643.761 5679973.732 5427460.375 3617310.414 4998464.623 4402644.357 5701341.641 4888702.791 6862507.848 4978413.891 4150764.963 5344561.438 11957803.4 15633423.32 11673346.2 19064261.3 19842125.74 3529164.535 5364344.577 10140804.47 6283075.881 12034447.21 7633252.924 9674303.157 10758135.85 10881219.34 8795420.288 10891927.59 7657666.571 9547901.898 10166096.64 15274738.99 8061571.591 8041188.56 7292222.895 6457460.1 6893421.618 17867728.04 8096289.518 7012282.705 4891029.445 8602257.097 6955550.952 7066487.374 9998638.797 9856099.711 12069697.77 5220873.827 5530720.858 10253548.58 9349583.47 8444490.009 N-gamma-Glutamylglutamine 33673799.65 25136006.34 28931769.56 15733923.68 20485109.41 70730626.67 62315921.42 31947313.08 37136057.19 38666326.05 29947431.38 17530530.28 21789573.55 20749829.99 17538711.42 50031826.05 46442728.97 49128973.28 29357261.74 42230707.98 17854778.68 8542442.101 17323854.69 8709143.38 19011085.39 24359755.79 15198933.92 10835940.42 13507488.8 11869619.6 18307351.43 10970763.16 15825593.11 14511859.14 15208158.5 19895863.08 10066305.8 16768255.39 13945674.41 13528913.54 33744011.72 32385026.36 24752716.26 36119480.58 42387760.03 45779303.93 31952437.22 28761686.21 33304445.71 37758762.38 26488469.34 29129771.01 16415214.06 15622310.18 13719210.88 42244047.61 31009695.63 46633850.33 34824199.13 51571475.63 8708291.207 24559820.59 26592997.41 19205659.7 11316460.83 12536759.23 21352774.99 24455974.92 24223035.61 27613343.79 14438087.42 18572252.83 15685260.69 22623730.02 18758330.45 16838286.91 36333700.26 28028253.39 26909790.63 27269865.82 Nicotinic acid 1933895.224 3158624.551 1718040.657 2217338.165 2913707.043 2416772.883 2769851.472 1391279.115 3460342.638 1653039.121 1397389.829 1387108.008 2266766.47 2043358.261 2291404.73 868496.8419 1003161.2 1379685.247 1477102.406 766868.186 1674394.901 1711942.806 1105711.003 1177803.629 1208718.196 1657987.543 919140.8747 1055371.975 857557.0795 1822622.987 3839365.277 1739066.161 3209277.702 2583003.664 2138707.98 1408253.671 1703833.784 981904.4139 1816838.516 1610809.237 1830201.19 1798861.578 1509367.567 2003166.303 2600345.036 1661567.442 1040903.506 2151956.858 2042807.426 1740314.064 1654787.752 1673035.006 2158052.075 3467087.351 2569212.659 1434230.401 3200869.093 1441796.065 1231020.396 1249164.494 2795296.58 4356241.784 2230562.173 3168239.545 2517926.2 1639418.666 2787651.414 1602500.757 1288534.033 1982995.244 2180150.661 1741500.492 2135491.034 2020538.574 1677734.033 918404.9773 2205115.916 1497055.06 1297694.436 821860.2293 N-Isovalerylglycine 50344392.07 39993950.8 55821630.08 42831577.22 44415611.79 54954070.9 219505045.2 191700244.9 74278560.33 192799553.7 14996444.88 16717155.92 24234383.48 18344825.76 15198579.93 63142634.12 72072524.94 134258913.5 60147566.23 110466180.4 37319586.39 29962546.59 69611030.52 32442294.28 71318502.4 52202056.93 37903579.08 85875292.38 75569208.53 92017847.47 25780589.13 21332914.99 24922159.69 19825032.72 24946892.95 30216544.28 35196528.21 46981943.86 37105395.24 31077906.95 80060999.54 94024020.42 53966770.5 129574752.9 130919288.3 44876380.73 86128070.79 128735057.3 60883197.91 133107121 24176303.11 105966805.5 105554564.5 107647041.3 109312575.3 59170374.36 97076728.31 156328015.1 61744636.16 55778273.94 21795763.99 59616499.73 56469611.38 39062095.11 20858240.75 67795122.34 44998139.36 101869442.9 26209765.65 111181508.2 30469982.23 18661859.17 48787719.38 51696917.75 49488266.28 39040865.37 57183917.34 66748836.17 66030008.86 67946012.63 N-Stearoyl tyrosine 16264822.57 21726819.38 15238258.92 17031597.81 18005329.48 15700108.03 323090.4157 26507792.12 22431592.93 28198443.31 7488454.757 12950179.51 9509447.927 8763356.51 10039941.09 8560713.768 2904669.047 4744659.304 4451243.184 270255.8178 26772323.19 27562842.68 15035288.96 30176376.95 14106549.91 19860994.39 20281311.72 10021169.44 9486524.49 10999136.24 1384111.179 2773181.149 5438215.28 2637454.539 4909308.41 3286698.213 11903005.81 7858445.359 9608859.242 2763173.227 10725665.52 8888379.322 5974695.081 5662394.483 5903062.396 17374966.01 14567419.09 11802853.71 6527175.754 12788443.51 10517332.2 7343185.057 6225952.558 5737952.798 5961187.441 18449147.58 13439583.95 17531933.84 22932778.19 16833136.32 19148496.94 42211841.27 38224535.81 15387842.51 18438102.93 14612782.32 3738365.752 3706895.515 16796817.15 4282461.212 18263811.68 23258208.88 32161067.46 13210825.41 32556935.36 6133414.888 11450701.25 562199.7965 2477583.391 3985272.401 Octadecanamide 13783623.43 14202619.01 16477290.3 13563138.1 15060132.58 3076517.269 5036396.106 1607652.101 2704755.392 15676427.29 25471913.4 30602329.6 20507456.53 13800413.91 30230961.87 16307841.64 15687564.21 12842477.63 30634621.22 15870493.85 197359655.4 10181100.6 23862341.83 10008139.29 27998825.4 189057533.9 243983359.7 261468314.6 184605866.5 189136899.8 257244036.4 90406712.83 284831836.7 182403592.9 202798322.9 16372703.56 225267779.3 293551233.9 263653985.2 11842154.06 267585951.1 223183218.5 254570635.1 412522289.2 258085889.9 288131643.8 249490452.6 111351145.5 191984430.2 105269697.8 34281190.18 5747254.705 1916935.561 2683012.505 3534070.928 8394232.445 5394900.581 5910722.123 9049647.726 45420692.83 23203353.3 19532573.49 17264472.79 18766479.71 16721401.53 26741309.27 14331212.15 21724154.47 13646711.02 13809452.1 19032568.67 15531026.91 18357243.11 13243919.57 17668537.95 21525756.72 13533441.36 19294852.01 27245901.07 23241560.98 Octanoylglucuronide 29824753.23 23811230.37 15033779.14 32502365.36 33057845 16778820.45 41327567.69 45162207.85 22529712.7 43396997.86 45375396.04 29039313.78 65858794.62 27563164.66 29628219.65 58238404.01 68933548.6 43791204.33 41882226.71 41265770.25 24204681.34 26757348.3 19920510.69 25950548.87 20585559.85 46089341.41 44339873.94 25982557.65 41641948.34 26233203.99 22588874.4 36779543.67 46977918.26 48738143.43 50665352.16 40371170.44 43242926.46 53873541.86 30389802 49694500.92 28539179.45 38680143.19 52492007.85 51557400.72 55285562.07 27784079.2 60364601.23 39072450.41 38324984.36 39392332.11 27830985.88 41842442.15 30674241.66 14611340.25 31775805.47 46491576.66 40459673.34 40046395.61 27118097.95 45214746.62 87023628.52 40391259.71 29731319.42 38891824.68 80009457.3 19491971.91 39428375.9 17233428.94 37989050.76 17407536.49 59306664.21 34658446.65 28959169.72 65638973.71 28588353.68 64290905.36 44177862.59 44647706.59 67065569.21 44902391.75 Olanzapine 3850779.499 3309370.32 3642076.308 4173579.53 5610088.326 27340126.87 26251134.76 60548241.81 10070390.59 63584014.35 3834168.753 3143442.285 3005211.701 2925863.741 2867180.934 5627382.071 2570899.572 3169917.044 3020393.629 2931205.639 5193839.212 5301860.401 1361236.685 5188988.557 1359718.699 3703016.548 83538482.16 112082783.5 3708727.207 118026290.3 27276085.53 5963429.096 51562377.82 13036125.23 49315008.81 65623579.28 10265151.96 89460564.74 144213985 65253863.4 30668857.06 50611991.35 81609097.83 21215809.49 22967959.22 16845273.44 25707450.16 13439699.68 50034120.29 11655444.67 10430796.39 8215276.628 2400420.309 2562055.803 1905066.473 7407355.906 8648612.022 54748344.07 25676461.96 7456433.527 13251857.4 219874799.2 6217946.996 16318616.53 13064321.69 13940350.02 4318238.275 12885061.57 3238904.94 12950146.88 10605814730 9969047047 9127864400 10346584565 9183082659 7553552243 8312415728 7964861950 7704654782 8031267457 Oleamide 262632331.1 256366990.7 204171465.5 324638219.3 291713808.3 147842615.2 192694171.4 277569351.1 170800240 213365397 261018405.5 294879370.4 199168709.4 157078428.8 287860510.1 165344721.3 191798144.9 151250153.1 144043120 136441832.5 277202647.8 278343349.6 343526158.5 257871869.7 531449276.4 224691285.1 276736189.4 214732411.3 297676982 231300646.7 27489400.89 181379208.2 237992291.1 206589778.9 342165036 28699887.51 183531938.3 349780363.2 198505940.2 187791021.6 28553709.81 124912560.7 164778812.4 123744616.5 122420679 186490535.1 195256098.1 196975893.6 205366824.2 208538841.7 235561145.7 215974586.7 75183092.03 183967275.3 334517886.2 296423306.2 216296574.8 166412531.5 414533257.6 287756336.4 197813036.4 169195106.3 247761212.9 154657972.3 190438981.2 226937034.5 208875963.9 189570617.8 171837424.2 204959769.6 213465853 222924291.3 306403866 245029230.3 280403408.4 228540005.4 227566575 209325741.4 199280342.8 196866423.3 Oleandolide 681879.0801 788475.9486 1094849.349 692446.9408 733580.6901 138056877.6 211415578.5 377833262.7 125200515.9 352580034.6 200944.1305 45595.83627 319055.8773 178720.6766 56421.60791 168811876.2 84589155.42 169552426.4 169150175.7 157526482.5 488202.3918 411657.1754 767073.3821 334360.279 424416.8643 250557017.6 150208424.6 86688969.63 66392398.43 94694848.34 357709.4482 291099.0079 82617009.07 354512.7881 89953691.99 138483241.4 205372746.1 182934129.8 328547262.4 135724030.4 721106.4603 723397.2559 661635.3058 1105762.225 1091267.499 109980665 184159193.3 62092066.62 89517070.01 61977184.16 626419.8893 961125.4907 167789.5183 158758.9744 292355.0356 153865366.6 118864398.7 99228040.5 148120260.6 147845309.2 1207286.189 1290461.343 918412.0733 377050.0623 1133791.071 114510122.1 201361518.1 107585616 79725998.58 113646747.4 356015.3277 1993961.49 668881.6386 614338.2268 648350.8927 127418250.3 97321884.71 66054179.01 78928211.46 81090259.85 Oleic acid 893388.2387 1119048.787 2288114.711 1223702.97 1640082.596 1235339.212 1021851.535 2994148.482 2424372.586 2758193.871 757715.8962 613583.142 1001602.618 568953.5912 624888.7954 458558.6696 161489.298 394559.3386 452806.5968 422612.7453 6256230.629 1666768.1 1325399.749 2980522.766 1598923.764 7255555.63 6830766.527 3208892.799 2491871.604 3172092.476 67138.20501 424748.1372 169313.0443 274967.66 250304.7473 567560.309 1820684.967 1318053.97 541257.4854 194593.5184 1155809.412 1090097.483 952998.781 594133.5805 614941.943 1240127.132 1083118.96 919765.5454 1211584.749 390158.0371 2273765.338 678770.982 3022882.614 2412090.12 2632266.951 5320635.99 1488874.19 1285767.789 5168017.129 5022178.616 2516896.276 2588999.467 4967623.893 1492046.118 3004763.938 5771621.858 1325083.962 1568869.36 1733471.49 1522091.662 1525917.461 2658153.353 3153096.138 824783.4579 3773962.758 913315.0581 825221.6478 863047.4949 831097.0698 743551.7432 Oleoylethanolamide 3950274.616 2751486.523 2267432.536 5037339.64 5529406.646 3531741.579 6177790.873 7941691.487 3442351.036 10047918.61 9255669.622 5676190.074 9740569.121 5446419.889 5509435.559 8117953.185 10262739.59 7113457.614 9446982.356 6281888.847 170425606.4 5186324.485 3153501.703 3155860.094 2076947.162 67043656.7 164346545.6 167584372.6 183550495.5 50747285.33 229045669 132965192.2 181822286.5 204219337 204866575.7 4024470.308 230053531.9 160279574.7 181765261.2 4718098.216 172750156 232656043.7 233454570.3 234871347.5 249669783.5 228921301.6 224922557.2 152340830.5 190998327 156721140.5 1361139.116 1468629.948 998976.5055 1092355.398 1065908.103 1403967.663 1055756.121 1141218.334 1255915.909 2027192.803 16469264.46 9230508.116 4957229.227 5622729.267 18521736.37 4727286.392 6887057.867 3939160.826 8058125.073 3359992.179 7906218.864 7802222.871 3745253.743 7585450.319 3943377.081 10567754.84 8510480.687 9862961.492 12277186.87 8607744.189 Ophthalmic acid 2911621.259 2594196.031 1445699.098 3735291.542 3797267.391 9041755.806 9294421.719 34585420.75 4481635.837 36809179.76 3867404.611 2166369.653 3678359.19 3530797.1 2136160.829 9906637.862 9042543.117 11557553.76 6820494.519 13975380.22 2338871.208 1627251.95 2327045.923 1423431.576 2035820.367 980970.4323 831327.6496 1304140.885 1506265.316 1476143.332 2016606.432 675511.2519 1291523.653 1041438.224 1418274.416 2059813.243 3352779.284 11081921.14 2019457.206 2068789.494 3482001.815 3189237.903 1837832.076 2692246.453 2531992.717 7930883.739 3918110.443 3116209.932 20216412.71 3109667.808 2656896.017 4853380.753 1371091.504 1649302.406 1402471.975 45041353.2 29080685.23 28415687.78 42842102.67 43070894.53 1176132.9 7766396.388 8195033.66 2760524.606 1257023.12 7353488.477 2946354.767 21510151.53 1179376.957 26468825.06 4779920.328 4117099.635 2493038.034 2750675.232 2453545.574 3220936.252 17822711.43 7383402.259 7199909.329 6651352.608 Oxidized glutathione 265598290.6 250880925.4 228136839.7 426019877.2 420008811.4 417646566.9 962862196.3 689564191.4 661078593.4 712389116.1 170380746.7 157418310.4 137042696.9 157849896.4 149277271.7 524155088.9 371241761.2 579885794.1 307185429.9 651144291.5 137191314.2 97255269.43 160883284.4 89569264.94 160323806.4 223224143.2 149398845.6 150168062.3 160679079.9 150412120.5 49563300.08 81928885.41 81843547.35 58298788.22 85709018.85 174611716.4 109430821.3 249397112.7 153866395.1 190679674 366173682.1 443109278.9 307235836.9 301525322.8 274761629.7 315616225.6 248429599.9 256749130.4 504455436.3 244750625.2 152967934.3 266589571.1 187960454.1 212076071.7 210509485.8 1484275189 1308019303 869005728.1 1564948100 1565352405 64846726.8 316691514.2 318367969.1 156138593.5 51466663.28 279253219.1 266744580.1 735480595.2 57085375.72 704434743.7 231546794.2 96269941.96 105306498.2 211356166.6 102976931.4 280591101.3 906238825.9 495963356.6 458844265 458248075.2 Oxoadipic acid 3985538.478 3275956.038 5057869.505 6645684.643 3859261.471 6818915.159 4557667.07 5318355.15 5241370.091 7320595.509 6834956.709 9966061.066 6897458.936 14405316.43 13420669.48 6056899.088 10000811.66 7012977.967 5936611.937 5804139.952 9728778.326 3756524.468 3212168.84 3657915.882 4087904.905 17391929.7 13570223.57 11853758.78 12771467.94 10948073.04 13946845.12 16845417.38 21168965.62 27237638.91 21819299.28 3261505.252 14157010.98 15652900.4 14195346.61 3614347.389 11175542.42 13971002.02 15228127.1 20818408.83 15459133.4 12958398.83 16078091.98 12322703.71 9461729.232 13731478.94 41652416.62 15135999.67 8441854.642 2263257.089 7214846.717 8387835.912 37209741.38 8815332.012 1706849.326 10806942.12 7506832.731 8799126.013 7919692.306 9361518.852 7650786.552 5476523.205 5867299.488 5090959.145 7429172.546 4809694.934 11458795.18 5878791.293 24121049.33 6640554.847 30419182.13 11129518.17 7341878.549 6658940.787 11174685.28 6551650.531 Oxoglutaric acid 30052545.63 19133863.84 20416035.01 25198999.66 28288615.75 14033783.94 25487603.38 35327059.62 18742441.71 35346618.46 11112438.79 5398358.208 7071520.355 9688595.883 5632309.641 11461017.51 8520157.018 14852208.59 5031193.598 15553965.54 47759875.28 15094965.27 15086902.59 18080823.29 18991281.92 6551168.023 30446414.12 8337491.327 7726082.065 7961817.863 14439612.64 7541324.555 11458769.56 8752340.762 12265484.11 15427289.26 17258191.83 18740110.23 18409124.73 14596424.31 30092058.17 40659322.86 26739711.97 45302807.84 46715838.95 11879296.59 17591972.29 33042409.15 18237550.93 25337652.83 19823236.52 24495623.78 27847774.57 28633997.02 28097795.18 30402158.83 22158945.36 26549405.52 28947389.4 31986678.03 16621119.62 32658846.17 29205543.65 21098659.7 11524603.89 13937141.34 14455517.02 19872048.37 12032319.94 20494268.06 14943347.01 20260043.54 22249805.13 20417940.62 20462043.25 6975316.857 7443143.694 7540377.148 12719710.19 8516479.688 Oxybuprocaine 988184.3549 1690016.817 722004.6519 1233593.322 1386030.116 809129.5325 5183864.654 2010629.28 2230148.506 1993983.957 1600784.13 1488359.957 1789893.82 1282174.269 1249362.375 1584733.834 1619853.877 1143842.899 814259.9128 1232654.318 1879134.539 4574597.662 5516665.952 4572507.676 5400402.136 1407572.528 658848.2721 1761431.124 2095613.93 1601730.628 2871847.122 1477771.169 1330818.579 1351446.805 1613610.874 1348307.217 625959.3386 1006547.076 1024212.221 1637126.837 2412511.03 1789336.246 1022310.718 2602337.452 1970675.488 867826.9719 3181058.043 6248341.046 1729477.097 8878322.239 690565.9947 2862116.866 939348.3145 926885.6634 1020017.252 2983148.287 1747404.449 989575.1795 2667538.465 3364555.554 1732272.008 868543.3551 745759.6045 1710423.4 1729512.237 408412.6498 1222548.907 438288.7128 711842.5556 682964.658 1218120.988 826757.4748 2073134.779 4989514.831 2518697.885 1268209.448 3094662.642 1839929.914 1721984.754 2164211.676 Palmitic acid 4323898901 4195661687 4189707741 4761684824 4226092063 2875931660 3023134457 4821713170 3292487514 5316810938 4578943095 3802622792 4709220061 3426022696 4020502710 5268679912 2955957339 3312702310 4770303531 3406418014 769785518.2 1658508770 1817144313 2576301905 1686439613 407695835.2 45947653.67 272346375.5 554936914.6 283083028.2 67955419.63 43648306.17 469710903.9 63773827.6 511647802.3 79046677.96 156720482.8 305954052.3 461882674.1 74753832.23 661495137.2 107661636.8 54322264.82 54514732.54 54158448.89 206615776.2 923430879.8 450473140.5 486639742.9 437122848 3388553714 4850125288 5965150397 5892349883 4697432986 4245681580 5550295366 3499339488 5233648914 4633760507 3342500264 3082472747 3903690945 2978951501 3518090723 3771793729 3795065238 4060126394 2964451470 4290528545 3827640709 4885783867 3156230793 3676214903 3596666736 2343688001 3787964041 3448192606 2984296589 4052720141 Palmitic amide 37834802.27 28603421.9 75231536.93 29209679.5 45138754.58 40290405.27 65373120.05 44571413 34868329.36 36206734.93 36909800.08 116081305.7 50582347.79 65355027.07 115620603.7 33382021.63 23710828.33 26790767.97 66866078.37 23764521.74 586574574.4 21593577.37 66263984.12 30441407.05 57641981.85 648630514.1 525614000.7 638131630.5 440741390.4 625422645.5 205419484.9 501088254.6 535920546.7 753835677.5 450525948.1 37263427 672303087 479633815.2 444935834.9 39021748.65 712796937.6 669934983.3 609897706.3 883498507.6 597063344.1 535656928.1 1213445207 756139793.9 531298483 343805223.9 89145191.38 68153228.76 39772445.24 32961629.48 29673823.91 71955806.92 72382251.5 73168915.28 115520300.9 95014044.8 33899498.63 27451149.51 34678277.32 44472549.15 46481488.39 55182158.78 28584827.76 42130463.74 27770673.28 61427692.48 43741458.76 58505334.52 39003073.64 34724391.75 38964775.84 100359858.5 40893741.28 60361107.41 49574455.07 39521232.76 Palmitoleic acid 43784555 32237121.11 39443690.21 29081497.33 35237217.17 28346642.7 29123590.53 39758013.14 44687234.2 41137068.55 35255125.05 32467256.04 37658774.65 34375546.39 29889455.43 35645336.26 30748821.31 31481489.85 45935247.45 34550496.76 84215710.25 85158899.27 46726624.77 84560761.91 81000685.2 46563623.87 78453495.97 43997304.55 43527127.19 34146537.84 35634818.41 34722148.82 46757469.94 41859979.47 49130968.72 54019084.17 55000724.88 65417238.66 64769379.54 54626103.03 43055024.12 53308406.04 43277877.42 31385797.84 35065116.05 66077917.7 62670801.38 53659040.87 45320777.52 72499693.76 48494823.33 49072598.44 38213447.08 31962049.53 35699104.14 69284025.61 41686990.07 45163674.15 62919850.17 62010173.87 53409829.7 68430552.78 90877292.85 56209858.57 66255186.58 118239419.2 51065476.83 63943072.22 64006820.86 72631924.86 63484160.07 97208425.11 61510014.82 53214276.56 66927264.65 113034933.2 66122378.18 101799750.6 96051738.57 113986610 Palmitoylethanolamide 163503886.2 201658726.7 203194154.9 200285264 197341586.6 88886086.79 148542962 182673093.9 159896510.7 201202937.9 134932147.7 143683067 188248524.4 118700508.2 139964765.9 166235045 120642925.6 113001718.7 165729462.9 113911305.3 23075309.77 72783142.13 66130957.73 81633622.12 68113677.11 13955317.98 2062245.247 8301336.997 17424030.11 8393583.577 1113193.217 1348843.354 12988715.13 2428150.068 15537846.52 308151.7075 3435837.336 8245011.19 12902060.56 288396.47 20947301.06 4309616.22 2271821.147 2851453.217 2679989.524 4423014.887 25747238.29 12391063.88 11709061.47 10555571.81 115014618.7 171342251.5 245440858.9 590000514.9 261806702.7 156609299.1 232817716.3 154550153.8 224160125.4 174138913.8 155998199.7 109382868 146717652.2 124728489.3 155929576.3 147815352.2 133885390.7 140820789.4 109118291.2 155566874.5 147102613.4 169552334.2 155585772.2 150279394.2 152078811.3 93219827.86 134073810 136710412.5 109303002.1 139321540.2 Paraldehyde 3345192.782 6389452.231 6518947.432 5326921.126 5863522.843 3524357.389 4449130.953 5561664.111 5780846.192 6629648.299 12024921.42 9068363.522 9218086.262 6706369.899 7634781.544 9171156.904 6301288.725 7007530.526 10220369.78 7411881.642 8653694.991 4547428.995 6908437.181 4649478.52 6242734.886 15479580.41 15698284.45 13037300.68 10649419.74 13283115.76 13237076.41 8702484.263 10343877.26 13029712.41 11218269.79 6283607.572 13405063.72 16189559.22 12246668.92 6683748.23 10161437.67 14019854.56 14958208.4 12571300.69 12073225.23 19866988.85 15023195.81 13897406.66 9820095.032 14243461.96 8102460.67 14416651.47 6320788.078 4669432.958 5861938.845 12026662 7158220.907 7364142.768 9167445.694 11700709.96 8678539.696 7139098.09 8140016.279 7653907.912 7810567.438 8187007.865 8105764.965 7648791.454 4406298.379 9116476.905 10453020.26 7682730.414 7890344.054 6273642.98 6739503.063 10319557.73 8069483.199 10094900.26 11666844.59 9807126.244 Paucine 1608444.94 947693.9883 1045828.427 1422458.035 1668341.179 906841.5537 1499457.58 1647651.955 1678304.613 1996073.087 2908339.295 1569454.787 3255431.997 1449133.335 1297829.039 3121003.314 2283281.012 2075940.529 3469756.526 2275219.474 6076305.188 1371966.593 895880.8015 715783.1588 585798.832 11785763.86 9389680.595 7832676.772 7811160.248 9240712.328 10538243.28 6536534.423 7766254.275 10065611.04 7533808.558 1781100.898 9622660.348 9298722.888 8704232.877 1644351.466 6887741.321 8954330.442 10850464.07 8829313.651 8500061.671 10979237.87 10311785.1 8870461.562 7234608.5 9455809.542 1552553.716 2474968.565 1598245.759 693376.3328 1608920.02 2614520.47 1602895.674 1889814.83 1773214.121 2655913.401 3342758.443 2242112.305 1994707.875 1894823.838 2953398.834 1133414.527 2193300.919 225576.0801 1526085.828 1356072.626 3492492.596 1796836.183 1401288.906 2859561.833 1223283.208 3696092.327 2158230.184 2972447.904 4127241.343 3504958.806 PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 25844821.3 25179885.03 36281969.45 27004461.97 26612929.35 19991217.52 24452394.07 32691538.17 24630618.26 30984697.76 30769969.93 32711645.35 32660364.81 33406605.8 36837703.52 27603843.63 23187958.67 26700924.93 41663668.91 25702387.39 16723925.54 18766391.25 34510489.79 21018375.95 31294718.48 28952577.84 35310631.28 25656033.7 26805451.2 25538291.16 30283097.36 15039300.88 22238320.3 21302730.55 23497456.98 35780720.46 29817756.94 41132152.74 23927242.04 35866512.78 20199536.52 31844192.29 29917306.26 26423747.18 26994999.29 27864529.4 30575163.06 24761437.3 18936834.31 27782437.76 34449464.81 55129932.28 26751686.42 21706867.12 26895104.57 63751736.44 28457655.77 27390609.18 42971254.56 71025774.74 42685669.1 31074870.96 21901816.84 24103034.15 38616158.98 35120755.72 30002219.95 32015700.85 15655124.41 31663017.89 38308830.67 33338542.78 39168030.5 21598723.38 40422209.23 37706485.63 24333796.53 41570426.81 31075895.72 41332671.87 Pentamidine 10195424.63 8108077.245 9069930.897 9109617.833 9802077.167 6076193.48 8973544.101 9349770.896 8010979.36 10746268.48 6479018.833 6083264.288 6339185.205 4092727.274 5300858.837 11695642.83 4628332.064 6401233.544 5153447.728 5561364.332 3963987.477 6636586.642 4378057.364 6674013.451 3181375.237 4585869.631 4571916.148 1029129.931 1984181.994 2789077.531 1827880.777 1394763.824 1052991.305 3158758.936 1099715.427 966603.2516 729765.49 1077227.736 2041849.08 539028.2663 2208724.494 2489934.095 3688488.415 3833891.977 3040607.796 1051084.676 2338836.862 1235297.518 1762009.695 3183013.312 4761902.125 8111611.041 8809165.394 14564816.19 13292556.83 8400190.675 9379291.501 10527901.85 7305645.73 8665578.325 8619086.801 6175699.476 7291119.89 6416557.499 9869822.604 7040001.023 4515610.452 5069127.532 5234864.515 6338969.235 7113944.983 7247145.853 6032390.501 5012144.223 7083634.197 8360323.774 5067146.51 4733910.21 8630785.92 6375630.728 Phenylacetaldehyde 23619974.91 26411887.95 28377195.85 31781790.21 30637662.49 7968319.765 48668856.14 17942616.97 27389467.1 18314371.07 15196328.31 11856579.91 22312653.76 15853132.55 11871609.86 36745958.02 23153706.73 18873722.75 11285960.61 19218924.86 20199584.77 34237218.72 25532146.28 37870338.34 26180747.74 15910852.39 17097126.58 24886519.99 23925453.63 26834007.34 15670831.66 15861066.12 39280949.2 38494682.1 39353364.56 18983499.95 13032666.69 16406736.12 40670187.7 18812890.88 50438121.64 57318605.18 30646238.52 84530899.67 77833640.83 14728975.86 21816394.73 42547895.6 17890690.75 42630015.2 22340219.26 33576360.24 41984073.47 42392344.43 44151355.3 38087450.51 29423797.05 45429233 36631127.36 36830703.1 30351516.14 61064315.87 58188382.42 28836820.39 29348620.72 25728390.47 26443688.91 46953494.95 11230630.75 48896438.76 20229102.51 26101626.91 15426861.82 29259712.94 15922079.41 21898427.97 19368091.41 21742932.07 22393851.74 22125177.39 Phenylacetylglycine 59270454.68 31981153.03 35404297.24 49715964.41 48673428.07 90623033.92 122250981 129295558.8 108656617.9 129047943.3 50121160.1 79727821.82 65159379.4 56446829.28 79013844.63 103770384.9 68674614.12 106741005.9 222307241.9 107709806.1 155512118.7 102281262.9 126067362.6 108990239 128634723.5 192335218.8 165681077.2 153482716.1 143214961.9 159476558.6 63517752.99 33701364.72 70707052.78 61667678.84 70462326.81 45012719.01 129566923.7 93161446.54 89322062.92 45194233.96 103654717.5 122568081.1 205761383.6 113674189.7 113526643.6 114244341.8 95221223.19 150621601.5 52028990.8 152966253.7 22179246.27 55177693.95 129318923.2 129164354.5 127996833.9 77399130.29 92231823.17 174026418.6 84100416.5 81217102.88 51414527.58 96863639.39 90470849.55 47035426.7 51792094.79 138131771.2 121039699.7 128081246.4 31779752.38 132812334.2 71994674.25 61609542.99 92834919.42 102721230.2 96736492.83 33748531.44 57231637.31 63968254.03 66284076.34 65541557.58 Phenylhydrazine 37616577.12 15434285.5 19718365.16 7648892.263 7230355.977 4645124.204 7818694.762 7559878.386 5515107.759 7172266.653 21801032.78 25062460.45 11904179.44 15745845.92 22980370.57 5229915.255 1760225.893 1751238.186 1787035.552 1748065.559 2827851.947 1547321.972 5273048.854 1314832.982 6721766.119 4829791.532 2034787.926 3868122.762 2968771.957 2614553.909 13873158.15 14172506.42 10333379.71 21755054.79 20081876.76 18217159.73 17319957.82 4823431 11540790.79 18701447.17 21399516.82 20020320.63 16473335.36 16514266.23 18375477.36 13845930.34 9816305.427 10821327.37 11960722.03 10527909.04 1969582.507 12268763.91 3460887.95 3286043.524 4831059.867 3892181.092 6896266.374 5960752.477 2589080.233 3637431.569 1597818.802 1994081.5 1693203.473 13296556.06 1722667.453 1862198.225 3401164.126 2836876.747 3575538.155 2819459.323 1891794.237 3819522.698 6385301.79 6712352.494 7031263.167 1556830.638 3380829.307 2407127.148 3524944.729 2542159.295 Phosphoric acid 222069750.9 213111342.4 151265006.1 197447533.6 228407278.4 105563515.4 245906782 218190999.7 157077297.6 226145452.3 118383931.3 233402430.2 184046162.4 192423391.3 215547434.4 129379704.7 115494231.1 150745716.5 136313117.1 184600256.1 249027331.4 296220275.7 244711663.9 365667333.6 247551971.3 150862692.1 235390821.5 382025615.2 344503575.2 363406492.9 47894828.92 36799348.57 69085990.79 65557849.91 67845998.75 90269448.52 92435819.32 153792172.7 71174884.13 86447092.03 219186614.7 264515521 314953457.5 264501894.4 264145688.7 254327140.2 229075364.6 265963419.9 275297129.3 266503765.3 190968479.4 132140407.5 437954700.8 425484798.4 417151301.1 308576618.6 117494151.2 272234411.4 231801071.7 260763591.2 166758331.7 154611662.6 165546606.1 209997537.2 163213991.9 199768100.4 166712474.7 191497488.7 274973827.5 190067298.3 135508601.9 141735411.4 156043863.7 142421612 149386287.1 141045784.9 53070709.12 38101228.53 43130835.25 40201055.07 Picrocrocin 393630.26 1251969.268 1051998.877 35613.83931 1081149.377 1057502.045 2143987.423 2332635.043 1647980.377 2991911.493 443671.7977 720294.7616 674574.4703 28707.91549 694947.5063 1323391.249 1691929.846 1192928.07 1031515.96 1400011.377 139545.9919 1327899.591 1398831.183 1600185.794 1173705.627 902416.8751 171454.2614 1550342.794 1434164.354 1675600.071 629227.4592 402866.3243 927419.5006 1049703.49 926350.4401 925542.3409 1805197.854 835425.7329 1553838.605 30176.04025 1210521.972 977820.0822 760889.8777 1099747.505 89752.10421 1000784.785 1489229.041 2267129.516 53838.05684 2356571.676 544842.3653 1142040.594 1697843.966 1685113.086 1080030.15 2153399.042 1333120.746 2247694.973 2334059.422 1344952.686 642196.2793 953318.2331 1262044.751 695592.9042 529517.8967 2532449.986 2370927.684 2216044.24 1009942.759 1753439.57 755344.7937 818144.6031 628642.6189 725307.3188 683577.7423 1418958.263 1726165.94 2128969.798 2098950.109 2063942.144 Pimilprost 4783633.125 5666907.025 10370584.05 3829888.854 4010366.747 6490162.306 6081661.751 7479610.516 5054782.795 5508071.183 4336976.956 8600825.315 3325204.695 5181605.853 7306702.914 2702810.706 2174116.325 2524983.969 3862414.532 3348198.074 58577685.6 2476641.378 7829902.968 3069977.512 6898830.36 63597942.52 77495922.75 61424830.93 57049556.45 66250183.14 55964608.19 63774648.75 54491662.33 77184388.05 54554325.36 11820802.13 70741096.89 71539706.97 75506073.32 8699495.743 36814157.04 80576518.96 75432341.48 66148255.91 72447465.46 80942864.14 44187074.96 79148399.43 52832617.54 75671995.72 13665496.47 5565480.431 5440751.422 8656155.134 3675920.725 9988098.73 5294769.163 5266815.944 9637231.234 7936364.037 3742054.204 5361039.175 4128241.261 2945034.269 3573437.796 7861957.405 2266225.84 38255793.66 2560039.469 40726569.63 2620487.995 2155570.732 4062235.915 2283280.121 4056906.9 3034584.416 3316240.222 2766159.311 2840983.044 2758537.808 Pipazethate 543165.2043 551863.0774 620501.0441 526991.8327 537818.0909 488610.9399 2369313.533 2756796.538 1835786.613 2630108.448 481814.6879 407923.6794 344108.358 374479.0862 406452.5686 342895.0244 315185.3983 354400.8549 398099.6848 315484.3939 391586.6771 360004.4274 475877.0049 331931.6764 415609.9785 535053.2416 621777.5513 538447.7378 465390.7871 508650.2346 518184.5675 352801.2602 411895.0452 443414.1778 440159.5854 1123122.148 2146579.095 2806337.138 1303492.461 428091.8271 394455.3461 477761.125 582286.6944 472597.8823 476204.756 535674.181 584260.622 498329.6716 391985.204 484327.9761 751093.355 892728.7113 597182.4974 544640.8915 583885.4603 1081820.979 719306.0662 733803.3912 743913.2366 967379.0745 476022.7921 536614.7115 354927.9013 365370.5849 414353.7679 8995385.23 383235.8875 382471.9493 272178.9766 554247.5353 407644.3076 353236.04 373707.1917 303297.7564 377123.1247 419746.828 354221.5925 421201.7725 437249.6817 439744.283 Pipecolic acid 11912152.38 29066759.74 33756924.75 135640577.6 40748418.13 24264567.83 39362957.19 32583588.09 38050159.12 27711992.34 18682157.87 25142346.09 31760660.37 24028077 26063398.34 32333314.42 22675003.45 36633547.18 26596310.85 31149789.27 32662194.87 23795321.95 25390254.36 24726156.89 20353533.83 26871551.15 21907030.22 26985453.05 15458879.06 25034816.07 28862801.49 16462133.76 19314011.49 24313557.37 24646973.29 31609269.78 21610742.48 24057902.27 30014599.69 26890736.37 24461385.71 28856141.31 32119654.5 29357718.35 33426224.97 23881770.47 29039954.59 24516155.63 15349993.53 26452524.78 23639188.48 30898186.75 34772571.59 31622168.77 32800506.07 29943444.35 33548038.04 23719897.76 30606332.9 26673721.01 25037666.19 33916699.32 25533069.72 25422914.72 28406680.49 19942843.42 24428471 28325994.65 24253881.79 26958778.22 29634991.98 23669496.03 25539343.42 19936154.68 26842174.69 18998574.48 27706781.97 25609435.62 24980695.46 25627463.1 Pivagabine 8288032.386 18873718.82 21622158.1 26517610 24368842.72 29958694.97 92345771.67 78788467.82 39544451.6 71105202.77 1319341.98 2473314.269 4026577.032 3231843.818 2553811.251 11545721.88 11518283.18 44310692.98 16733986.49 41365866.44 21449806.58 5995333.557 15172326.48 6581906.246 14839150.88 24908338.18 23996831.02 22787868.46 19785172.14 25193623.22 1488373.49 2159982.412 4467586.596 2112557.622 4762198.097 11378338.49 17336986.26 21498730.09 18182586.43 11171281.12 48389600.77 34506872.63 16259992.98 45368548.2 42458567.47 20616919.92 26212989.23 56086312.63 35626437.66 59583061.22 17805769.77 35246639.37 37815440.98 36274850.71 36910538.58 52381909.84 60096045.44 39611254.08 55354504.73 59473823.37 16522424.44 36063002.43 31353823.35 12461886.64 17865853.7 68920480.19 26710457.52 58402364.61 21470748.05 68864066.12 14323547.79 9457756.463 21376267.15 15909800.63 19598882.61 21358476.58 23850099.99 30544552.06 27544045.93 28436661.41 Platelet-activating factor 5719013674 5755745380 6380296536 6330877665 6744142692 3988089666 7651224661 4940303216 6906990846 5257085942 5742465746 6149589629 6388423075 5735561337 6062944353 5148258563 5414250186 6417501458 5598298907 6544022205 5391692947 5637000811 6138359189 5365309353 4982171519 6383697325 5425202389 6033769440 4590378192 5885766332 5611944798 3482057062 5916913920 5332155065 5632222977 4817644998 5459761199 4826266940 5019318640 4373398900 6346420865 5722383684 4591485539 4355532974 4428291890 5371235809 6477976674 4666676650 5943059346 4670415565 4426556622 6988724719 5806733178 5116701800 6285529090 5487421952 4654497373 5221411129 4716564764 5237657716 5203982104 5283532291 5204599164 4382998513 5243654333 4770671334 4827408361 4018618875 3733238307 3965312665 7876390847 6250839276 5708181770 6011534180 5903440266 4346464227 5360954843 5692464834 5336529150 5327323663 Plazomicin 11775597.66 25481380.77 44200432.88 19599952.47 22127128.87 24557342.06 23040965.31 18402055.22 29687122.91 22652361.55 38101055.59 36523581.57 31462812.35 43203116.41 35461251.46 25774163.2 14216757.51 22506100.47 27043365.08 22028212.57 8476029.562 15053091.28 34261264.43 17955101.12 34402203.28 25814337.39 36153974.82 25940376.94 18890675.86 24988165.54 19960370.19 13065960.59 12737336.97 21427699.99 14582066.31 30959617.71 22293770.61 34403890.48 25099707.21 27299956.26 16916378.02 26481837.96 25362632.32 16839299.42 20746541.32 33817251.46 37562840.39 37981551.34 15234662.09 35813449.12 41794532.59 46564768.8 25134943.85 33488505.55 20388322.34 40273798.01 24906296.95 23753432.5 30427761.43 40171641.17 25586777.86 29974724.55 30045821.87 31777438.08 20959629.85 37644703.79 28574709.12 46313066.36 18020377.04 48720244.47 34040371.4 24145823.99 11282874.34 18388685.95 10638258.19 36546102.22 27711879.59 29943060.11 49131178.96 27140255.95 Pregabalin 395306126.2 515912457.6 440810128.3 371648021.7 298149133.1 247301918.3 492870596.5 223477088.5 357556493.7 211244375.9 782811628.8 1196053206 753532505.9 772829680.4 1161525445 951083880.7 422652600.3 676261223.8 517606312.5 659358379.7 413673093.3 379726429.3 495409854.5 401265577.6 488580420 460580086.5 424914543.5 490012660.9 388029455.8 490346662.1 328690457 322410730 284551692 283711029.6 267936683.6 425187296.9 235435399.2 325123851.5 372929783.5 446335967.1 530486446.6 502624885.3 326753807.5 494627175.9 444258154.3 778795607.7 405783811.6 448385576.1 328145075.3 408125424.6 309091078.9 203428739.7 375828648 385471042.1 250715550.5 510672134.6 343796536.6 307107046.4 418576798.3 477842149.9 511237712 593393308.3 501420585.1 204242179.8 600869958 375491018.1 303316146.9 260623148.1 173953099.5 323443786.6 367510415.4 357781124.8 267933455.4 368172422.6 257535850.1 343171665.6 353495078.7 299086894.1 371288965.3 344609264.2 Probucol 12497929.29 21337500.95 24161690.88 11467726.66 14161343.03 14616577.78 15955078.56 20958093.65 25319498.08 13597918.93 35062032.81 31243540.08 29010629.34 31271046.01 24428506.2 25415590.28 13427016.18 21601204.37 26813236.98 22689246.23 28881951.29 12268501.19 20055367.51 16177034.19 22913207.2 42420740.46 50743268.2 40638723.46 37003796.01 38553011.03 36487868.4 26877829.3 28113368.53 36561183.42 30837126.98 17888243.53 40215769.4 43941723.11 38580396.6 22874557.13 27866173.3 41089625.31 41378323.38 33159012.54 33971313.15 43060284.34 46491203.52 47000584.48 31033926.1 48670311.07 33480203.73 33157733.04 18854905.38 18957225.79 19007253.05 41896967 18535343.9 24690414.87 25210514.43 35821308.02 24912086.14 24653582.13 28787854.08 25137636.46 24865476.65 28686540.77 28056888.14 33468536.98 19214593.85 40736930.78 33361429.81 17152020.42 13044142.4 8175296.312 11750567.45 29472456.34 26956030.86 29067978.93 37324938.84 23538949.25 Prohydrojasmon 633266.6308 856729.7663 1400078.299 898249.7113 1009225.484 14927446.95 23869460.62 66282369.71 26759334.59 60494164.12 418541.0524 485612.8289 631350.2767 657251.7164 493684.774 11780996.99 3864419.284 11212622.49 8675056.04 11043179.32 7563815.309 6300529.79 3849604.729 6629963.863 3148538.295 109889037.6 78413379.16 16480664.35 11610716.1 20496457.07 717038.3799 827571.1412 3290122.684 591162.3405 3536898.474 6202808.094 15323279.72 26437517.62 14609595.33 6865834.38 1346580.058 731632.8126 1262037.604 1055683.489 1269573.342 16300187 13784070.16 6111494.78 14831215.38 7220971.602 785101.7454 866814.077 1374934.421 1450288.064 1922873.917 38122296.35 14723152.03 22379514 39093724.49 35401498.27 2152068.636 4379245.988 4103097.524 1767230.899 2017541.479 44460226.68 37811379.57 63402798.13 17954292.75 74684811.05 752065.6682 2610711.427 1742902.776 1148276.045 1913196.379 14440373.72 13714472.18 22962721.91 21923409.04 21881963.98 Proline 57236125.04 60414033.37 53381471.36 36223191.94 36256386.59 31666500.1 114172004.2 63521608.14 75204251.7 58051440.13 83131992.2 53767028.88 71704485.04 64040435.32 60626851.33 68904855.01 82259133.78 71705827.81 76898346.49 62600774.48 74683763.82 53637458.51 89001076.58 53948576.54 80516272.02 47898456.6 59495900.26 63347206.4 61357399.78 64588661.05 90851265.42 33791626.4 74251760.92 75888729.9 77554033.49 29343566.6 24576199.9 39120626.45 57538909.19 30373640.67 91773012.86 72149240.46 24200336.67 53130615.08 52698349.99 52366860.99 52685368.43 42190263.83 39089035.46 46824921.37 18592360.34 72448589.11 38350986.98 43334129.62 34967618.11 33460799.73 55816642.99 48951966.28 36873129.43 32327887.35 35242513.54 40563135.17 29324460.89 38734598.9 36759593.4 21881002.3 26747782.11 25825509.53 31165905.21 31206191.16 27818423.31 26556231.31 27509701.87 37779948.23 24814876.54 27440465.79 45978917.51 33013500.14 27234770.24 31866131.02 Proline betaine 1508615.626 907363.875 614716.2651 631698.7407 1215520.033 1007301.82 1897132.271 1170643.493 615822.2097 1039490.647 1119252.379 1171873.885 1368846.124 141438.8981 1175667.181 1293310.598 182512.2163 925827.1277 141572.6891 756040.7955 216364.0777 1401658.207 1898192.919 1512225.254 1709897.006 2010536.849 1365676.236 1444246.101 1806147.95 1513350.843 1787378.827 313971.1623 1387460.411 1364394.48 1647878.524 352053.9658 568492.5171 1364419.547 1524283.583 1609209.518 1842101.214 1818915.937 1869722.113 2117283.866 2354636.121 1276077.37 656275.5489 1202949.058 866392.8719 1746315.882 1175495.608 1172093.825 880887.1302 1092853.075 1095243.855 1274646.827 674518.5806 1869152.407 1188637.616 1629106.109 1081466.787 1492589.531 1136830.428 746868.9284 1085415.676 1391120.678 692440.8769 1131774.31 612543.3509 1198123.87 854837.1342 259147.278 1553284.497 1050703.5 1445435.621 438501.7554 855375.4054 701665.1882 905667.454 581377.4777 Promazine 5-sulfoxide 115938788.3 79671688.61 87529062.41 61260425.44 63446152.11 23790079.17 24238749.86 10593168.22 28059862.26 9659741.731 388484.2811 440992.5903 360162.4427 331655.9448 399387.8503 306616.2118 256206.1898 245513.6216 305305.5272 274873.5464 205783.3771 205249.7153 310480.9561 261175.2835 311513.6023 263193.4806 310355.2804 203711.2536 262435.6455 250828.2196 271849.7831 193044.8615 232326.6124 279854.0865 247362.1189 286988.1707 268973.8371 354899.6254 249497.6966 292184.4748 254610.2859 281238.3064 367828.3044 272069.9786 260144.9869 305537.2875 397503.535 254814.1353 244835.4602 267414.191 493282.7878 492804.793 364883.6017 357911.8648 366572.976 509267.2146 441699.2738 395002.1308 482192.1215 494454.819 391871.6583 288258.0356 280678.962 281653.4688 347562.3839 327854.4734 287623.6009 334170.8503 245147.1001 344066.3532 336974.5955 276016.7506 247889.0067 250051.3592 236726.5948 329572.7026 285826.641 309149.9024 386085.0023 293465.791 Promethazine sulfoxide 11796066.2 15343162.28 10211738.67 13340776.11 13875467.62 10427288.85 12010677.63 8593362.146 12235631.64 8732119.982 159205.88 94031.24488 248438.8967 106424.2652 80107.22054 90405.72645 93117.38124 101633.0133 114763.9672 104375.2793 198102.2204 175892.8314 175136.2844 169296.5895 169781.8669 192466.2511 181361.7886 180788.9876 151371.78 169922.6967 186352.3222 157666.0181 177310.1544 166763.1026 171295.6816 168451.7709 227339.1906 246871.5882 176459.3046 184151.0384 159261.3958 186246.3789 222373.7447 191528.0027 188465.6256 219897.8738 196072.6696 183454.4375 159292.0879 176742.9182 213851.8692 973920.5689 225034.7063 204512.4874 199818.0343 259719.3997 220641.8585 223140.2682 259228.879 223328.4072 134744.0466 263112.9544 209793.3878 148994.2711 111673.5185 313240.2632 99782.00564 106209.6197 93534.85909 145261.5875 102553.2414 94548.61757 84796.73656 78868.57067 85586.52565 149713.8849 190944.4598 147338.7903 146659.1584 110174.4705 Propionylcarnitine 3096065.999 5529061.134 10581764.13 7114009.611 7706602.45 16997820.64 20536500.06 46196015.75 13260667.68 52365435.44 1892137.709 1211272.94 1753408.386 1707672.973 1795819.218 2057639.628 1920648.817 4172436.933 4048931.125 4126894.473 31694561.94 9888635.943 7135124.405 10092440.6 8217878.035 19528434.84 69644208.92 22755616.64 18216717.26 23321768.67 561175.433 1217821.289 2170922.872 1151908.457 1700424.923 4186170.62 13186492.61 12518233.25 4975889.862 4246613.73 4426823.877 3435899.646 3302450.809 2470949.188 2191326.037 12386002.41 9949940.072 6591939.645 19165621.23 6291928.981 6780396.972 2675063.623 14049280.07 12589846.42 11328812.81 26431684.24 18362410 31968243.39 27973543.73 26594982.55 10287916.98 17905783.9 20163047.2 7254655.318 10880173.95 83197204.23 22016421.39 38223716.15 13889519.08 40386497.37 7052544.796 10514274.79 13516049.94 4390277.202 13797831.35 9720091.761 8893087.397 11772306.88 11367456.43 11007863.05 Propofol 1502950.474 1996525.184 4451495.483 2688123.515 4357715.784 632177.6051 691630.495 914638.356 931959.5465 1364043.786 1019777.436 882818.1792 1334178.753 663998.858 677885.9278 217299.1563 175051.5479 348053.3109 530167.8756 248660.642 3572454.421 969737.4779 734083.0513 1732914.322 944773.9452 559079.8402 1835121.21 601214.7563 509902.3956 383742.616 433636.9861 360348.4653 280148.6201 532949.7138 279032.4226 319597.3271 574395.739 555502.0332 409154.7698 280539.0259 664416.1825 917427.2918 1118176.232 349947.1586 605788.2935 368207.7853 1193679.529 1113218.61 1031424.487 1344490.819 1567798.918 1526249.896 2530424.381 1769926.79 2639410.606 2320065.143 910258.1163 1030298.431 1779833.063 1443345.107 3271600.213 5510286.918 5660592.998 2032005.672 3118438.893 2461771.063 1064742.784 3138700.739 859883.5067 3018507.941 1554062.757 4116099.076 2512273.349 435561.3259 3508125.186 461955.6622 369446.0409 627482.8744 588788.7653 593711.8242 Prostaglandin G2 2-glyceryl Ester 65916614.28 78246185.62 85536809.74 92923223.09 80095413.64 50180161.72 62766204.63 83400985.19 80199117.53 92276587.16 59724523.42 57573854.44 73480750.73 44174401.7 50688006.38 57523166.32 43009234.12 53159809.36 70470270.91 50654468.96 8256388.335 26131871.1 27542630.63 27408383.15 23622279.13 5559650.262 136693.3873 3074247.046 7615171.337 3658241.625 165720.7173 231618.0871 6691370.279 116689.8303 6838188.487 118989.0015 1678699.366 4847197.612 6495067.784 123192.8045 6331565.751 829919.1012 204964.8139 152423.4107 148783.0032 2286127.298 10239223.94 3897688.691 4783137.786 5598080.707 60577796.33 65994492.88 117492475.7 107156064.2 104580420.4 74062132.67 92907466.63 74766085.44 90541665.6 89902046.85 54910418.69 39115857.91 52001942.47 53073369.08 39094448.54 62898782.88 51810032.36 46187304.05 38739703.73 49384305.85 62201054.59 70040652.52 48429640.87 63574352.19 55330374.2 37289203.95 51704909.73 51906572.82 36186459.21 51224685.52 Protodioscin 3046270.359 1209840.238 1684821.23 2186724.532 2619345.787 955693.6461 2775557.465 3106024.632 1123158.834 2234409.978 1176079.46 3351265.801 3581619.765 2634782.774 3576023.248 2827535.088 4047116.242 1795631.29 2771355.769 1467154.688 720323.7444 1708474.209 2793698.22 1245946.082 1564374.813 3629780.536 2156838.778 897048.2448 1427915.261 1054580.332 1015590.121 1382640.366 830841.6239 1210663.338 2735945.476 3933358.759 3156305.796 4966216.157 1383536.686 1644519.815 1178128.106 1401047.154 1517554.97 2723660.424 3635861.565 1224860.803 3903911.637 1436385.096 1602671.855 2011915.957 3449931.708 2278430.785 1983058.143 2344427.717 1719285.109 2611135.16 2992757.788 2468712.552 3317850.826 1828640.069 4617731.141 2760959.833 1742021.414 1866131.743 4785933.512 1717333.019 2579092.834 1879315.282 2195535.717 1934590.481 2184964.167 1899989.55 1378195.836 4345709.409 1608925.18 5344249.765 2528474.549 3456994.948 5153810.147 4483332.379 PS(16:0/16:1(9Z)) 1278255.148 2516941.738 5188680.92 2364791.049 3116966.889 1926275.791 463390.3924 7792975.914 1600166.63 7646636.425 1342121.487 935513.9695 889783.213 600251.2582 568000.0617 374024.7891 274720.1552 840063.3907 346793.4272 680812.3711 49419203.04 30196332.41 13703840.44 30319044.46 14302388.75 26685004.28 29783850.63 3248823.667 4726037.263 2703490.663 131681.627 570884.5125 577061.3877 521927.3708 717344.8755 603651.211 2541010.681 1966731.476 1221046.209 472374.6668 1658117.953 994830.7961 1067712.929 522214.9465 301510.767 1980878.171 2045226.927 3028071.362 1594159.696 2980483.269 5769567.219 366632.1146 4914355.258 4799290.367 5153732.106 5518658.386 1656630.55 1017334.998 6244480.994 5291287.758 7814081.995 25509563.08 18508268.17 4416546.149 8585304.273 12435283.7 2658620.646 9481639.433 2285810.385 8909272.328 2205209.89 6944073.649 8682310.891 2055352.012 8778869.842 1477355.689 1637880.295 2633218.858 2723548.664 2277502.472 Purine 124223340.3 128793053 96708708.45 149953192.2 155039271 94553043.59 223590423 129287392.8 267737868.2 128719583.8 84462756.83 91178818.92 72944706.77 64388815.03 74744175.94 129993713.5 108909626.2 128594796.4 107194732.1 104133187.3 36328637.39 35930819.37 63306305.19 51091664.3 60229435.16 82328532.98 41857910.96 93499818.06 84268653.79 99074113.01 76021067.62 94613240.83 104165651.2 85568366.11 82938497.71 151189560.8 69730796.08 131048389.3 98825824.52 147708841.7 98191692.04 171566345.7 153303786 144286423.7 177348144.8 58427148.51 62569505.85 68340816.15 53205671.2 73363290.59 102817617.1 126151442.3 104479652.2 113048164.4 91322075.7 266269721.7 187072230.7 88909862.77 264829394 264491255.3 94150352.25 110820490.7 106787293 102978328.3 87907255.76 139253947.6 142053581 128339888.9 144345860.4 130932842.4 94591349.48 92344698.12 106152907.9 133920251.5 108075527.7 150226573.3 201665273.8 143134525 200125461.3 231414809.9 Putrescine 1001722.506 2192760.656 1069886.098 1561106.069 2008492.899 3568130.881 4589019.168 3712609.156 2880758.817 3081691.38 978369.2544 1779385.518 1205916.839 1391401.706 1884729.517 1961550.823 3499319.672 3343486.192 3176481.51 3076375.278 403342.1763 404150.6959 384030.7418 420325.3777 432243.0846 1416409.446 520066.143 6876543.053 4261155.145 5525672.067 1284100.743 474734.1376 739521.7936 463297.022 552671.4163 1752942.135 1726531.402 1971814.127 1767958.786 2804643.009 2616848.945 2211710.05 758371.9816 1958940.114 1721237.504 2696137.098 3424658.272 2265182.86 2876652.734 2851851.889 895139.0231 890737.3043 1487263.903 2001238.118 892080.5398 2088444.353 2949232.966 5674464.539 3233369.807 2798050.418 602751.0702 1099933.896 1816577.04 1058133.418 1223037.202 1519920.61 2432668.602 1511637.705 2793866.591 1382152.518 1904795.786 972574.2099 846916.843 997122.9415 1575841.002 1737660.808 1466573.647 1435724.504 878355.9262 1311916.699 Pyrogallol 18348089.4 24022756.27 18297954.5 22054284.71 29732128.91 12454242.51 40633745.85 22762711.06 48510992.47 18302294.69 12545066.7 13891606.09 15937142.64 13373766.48 14739279.02 15788223.11 16611902.44 22184743.29 18829119.05 20130242.07 6312918.394 3273397.764 13635318.68 9835349.172 13392567.48 16599503.16 7532039.303 19063604.06 20818951.22 15417812.86 11568267.41 33932057.05 17274281.8 19377516.12 23938328.59 44709277.25 13982126.81 16350259.51 41476498.99 59069704.79 15192073.19 28584001.11 37273606.3 22238141.91 20435677.51 6645628.445 9496143.522 9292545.261 9294539.181 8803099.158 17009409.49 20125009.83 21680478 19415170.75 20057190.71 38840454.81 26207255.15 17438106.32 37916679.51 40483869.37 7042478.541 12288710.03 14562395.9 10760969.85 8633453.021 15570203.26 14458923.64 23971101.39 9649893.333 13602184.86 15992095.86 9849857.885 15628222.29 12181887.19 16033765.56 18747326.91 23224467.61 25215807.89 22516399.22 22324745.34 Pyrogallol-2-O-sulphate 1544203.609 14877541.83 117578.2417 25169590.76 31657160.71 1360532.08 2700631.934 2005204.923 9751173.827 2916616.187 806186.9344 588173.1397 1373723.763 107126.9533 578167.8132 1306206.561 111834.9481 951689.8121 2081710.732 984046.1495 1519748.124 3619177.999 2008070.962 4662437.946 2638605.653 462468.2681 471559.675 591398.4292 1029515.864 657887.7515 3280159.764 708775.0826 1969872.488 1995965.396 1522625.651 474386.283 190142.832 143166.6011 2506283.614 571102.6797 5441445.611 3123137.793 149567.2986 3656530.855 3694340.231 151935.6739 725244.2026 7354883.311 155017.9179 7053355.19 131758.7095 1569319.869 136846.3875 143646.8895 136689.291 150110.8686 145237.3817 800287.4803 150850.5742 148727.4507 102094.2011 108863.4211 114254.0601 853279.1694 117995.3414 118853.6244 1170399.018 120607.8572 112546.9046 123060.1203 7357228.6 8257458.374 3684293.952 5184241.225 4239220.866 118206.2733 1497583.528 215152.1147 494157.7542 244314.1479 Quercitrin 968015.1069 1632390.605 865918.707 964315.2631 1221660.978 276725.0545 2895963.615 2118785.362 2035458.513 2269374.95 1309369.082 988955.8732 1999781.92 1442179.043 936724.6666 3119090.471 1044280.912 2084484.142 1362612.644 2174899.887 2595676.354 4432774.991 4806190.634 4481120.563 4991275.909 2483228.878 7315171.692 3014408.076 3019931.274 3543779.171 1215701.796 1085155.707 2233815.551 1556817.606 2644757.066 936476.1356 894174.5601 1385917.014 4161813.951 1081785.144 1102601.201 1047225.67 605697.7206 1234320.196 1436417.829 775150.9389 899861.4652 2714763.063 1081878.114 3092212.231 1134079.348 1612032.631 617730.5657 502678.4942 798275.4833 1010849.062 962363.5231 2270129.599 998713.428 929735.5148 2927090.412 2399732.337 2474671.72 1042136.136 2933096.493 276495.5608 2042807.162 1329847.991 492393.331 1275632.183 964113.1699 5217746.346 3462036.702 3200986.503 2630684.087 2387770 2314861.891 1917805.062 2083961.306 1976096.528 Quetiapine 16800156.33 20966487.87 20107442.11 16922583.1 17148330.45 32800873.12 49228794.81 30474118.62 48454915.3 31819584.03 11998841.16 9939706.112 13214470.74 12709214.01 7961067.459 6572855.305 4216313.444 8798458.592 4209671.826 9041307.724 4466310.696 3001668.002 2674329.08 3487136.285 2672026.527 7299805.358 33196090.66 101230005.8 4984187.381 102598927 119913390.8 386627338.1 735301888.4 320836622.1 726387536 832551521 703723922 4080188765 1917300907 763727101 14404642.09 9628605.952 32020392.8 12546124.46 11899935.76 20368640.9 48054745 24646480.96 10572446.04 24816649.64 21271232.1 22153954.37 16531588.61 17036807.69 15891653.09 14218042.84 17220990.71 16630588.14 56227024.03 13688395.62 3194233.499 4486077726 6593893.459 4489763.894 3158824.877 132850199.2 5652637.578 7605387.195 3449855.997 6504536.064 3644123.667 5989452.047 3062520.102 14041351.75 3169145.604 15185781.86 70122976.66 28121313.94 26128790.83 26701685.28 Ribothymidine 28520381.29 20289716.69 21344405.89 12122413.9 17430282.7 61298276.62 50218891.92 22972468.43 33172193.05 33076445.86 22784345.95 12112452.7 14168060.17 14996035.38 12891981.11 39411680.74 34017307 32188773.94 22835557.32 26866772.32 12370796.49 6635003.24 10426168.71 6207888.261 14363625.7 18393960.64 11870206.71 9086760.657 11469873.6 9230367.356 12971658.78 7817909.509 10541969.91 11481024.8 9175068.345 17407766.48 8377902.247 12266490.87 10345320.64 9785325.044 27670437.49 21952078.99 19833456.46 28449072.76 33485597.15 37599196.78 23225617.76 19837969.22 24276738.13 21614687.76 20827033.94 22590891.12 12191983.27 11362043.62 11608123.45 33527245.07 26348924.74 38137237.77 27089154.48 44956067.98 7189317.152 15262146.16 17777688.6 14204536.34 8703308.43 10003229.26 18444450.02 19858750.79 18813369.93 23239708.86 11021651.13 14360561.38 11316440.42 18026490.13 15380463.44 14225165.75 23209280.43 22401735.77 22283577.97 20588305.98 Ribulose-5-phosphate 8854635.371 10234392.85 11012919.3 6331886.568 6896840.426 10591950.27 15801484.56 13905826.2 12247207.66 7620471.184 20956594.65 13975525.99 12713924.82 11444788.47 13227709.42 13972255.72 12890838.95 14551936.59 7360895.912 11112111.71 10287607.34 4100533.495 10952317.25 3177619.465 10423887.51 9566639.833 10296374.73 9160081.53 6539159.362 7485068.124 15531288.13 13848858.39 18136851 4283554.1 18769249.55 17023231.65 15255484.65 18710764.13 18859468.56 11522763.68 6070818.221 8081472.315 7250556.552 5056381.926 9230146.166 6788290.361 14278430.45 9873642.464 8902886.839 11975509.33 7519127.747 10050844.83 11547250.39 11661461.14 12553091.45 17745905.44 14017499.62 16012950.86 23803393.07 18411350.46 9005559.668 12494838.8 10870753.38 6472733.445 9443533.086 10715883.6 8643797.294 12493278.53 8272381.78 13893173.08 5638795.569 12371916.46 6328470.986 6540019.932 5461469.534 4887623.48 8243603.496 6748320.016 6229830.208 6147656.785 Risperidone 5402845.443 5294986.249 6135325.397 5163689.233 5287474.951 5258040.24 6021203.498 5360707.907 6023533.467 5728551.867 9816149.186 9738288.555 10234222.3 6981786.214 8001197.583 8945194.467 8241562.166 5918688.53 8734774.972 6742500.382 5384220.513 5010251.12 6978101.708 5208945.866 6226166.254 9821893.964 8933362.168 8532519.574 8318848.65 7798420.288 8686247.171 6868946.669 8513775.81 10474792.3 7804545.028 5711445.358 10033185.11 14852309.14 8966488.831 6495662.24 8147211.354 8714259.136 11117801.98 11021829.93 11801155.68 10439474.5 12372559.04 11798937.51 8101162.65 10104687.51 8922124.051 11159848.56 6551853.817 4653026.654 5828537.721 10037995.57 6914636.129 8724356.684 10553426.38 10603599.51 10798365.6 8476319.626 9198834.354 9188235.393 9057427.872 7006123.13 9370930.677 8260002.3 6135234.376 9015889.249 11480890.88 5853527.064 8015331.123 7631897.359 6230110.87 10234988.92 7162289.093 7894128.142 8606327.165 7753168.131 S-2-Propenyl propanethioate 9999082.683 10281340.8 10445990.29 11610607.84 8200383.96 10577352.09 17745536.3 9985402.843 10027305.17 8943038.435 17892790.71 12665370.2 13433632.64 12395891.43 14014191.14 13303072.42 11836392.61 12759905.75 16853635.26 12060172.04 14762280.76 13476476.05 13068569.93 13396071.28 14753155.83 22239548.35 9351068.76 13578399.01 15421759.61 13466148.68 11057955.58 10843781.16 11063099.61 15875379.45 11952977.51 6141876.775 6923552.969 10536944.5 8949782.897 7531573.887 18732968.39 13373015.99 13799109.97 21421522.21 15050255.96 15875249.49 13728625.04 17227115.98 17585437.44 15919113.84 9688687.511 8714997.482 8695158.614 9086367.333 9483851.318 10615280.48 7078997.594 10264552.42 10992067.26 10954394.89 4749538.86 7462754.042 8499823.354 9048288.671 7725953.977 8463373.629 6497209.258 6593235.561 9327475.23 8077003.658 8132519.445 4521926.807 6493190.623 11617241.23 11904633.47 7151420.616 6854364.494 8076353.617 7514749.288 5176454.735 Salbutamol 1688475.724 2154727.541 3505984.539 3169032.104 3034691.83 5770063.265 4274576.431 28007282.95 9201388.253 25280703.01 1418635.077 1088875.609 1587487.57 1400013.662 1046105.282 6154297.567 4803460.127 7597106.728 9537736.649 7611129.372 2480991.353 5585645.689 3944589.732 7600151.064 3925449.724 7457441.993 11050532.37 2723287.092 2618145.557 2667136.967 1058941.362 868862.802 1685283.739 1231360.759 1651758.115 5712599.763 4236430.553 6300313.701 5614932.683 6087941.457 1299164.102 1544026.484 1765596.01 958969.7403 1113035.977 6482730.308 2831386.526 2239068.176 4420778.779 2584300.363 2701129.981 2457220.729 2528667.425 3270255.777 2876051.316 12922158.63 7793815.444 6734305.71 9557209.916 10310501.67 3619662.149 6981350.215 3535427.159 2890873.432 3726577.374 10211778.97 9816808.688 13326138.68 8437209.634 15975019.47 2981405.316 3094783.161 2504004.729 2528036.307 4114513.138 11111436.86 11573657.49 8291306.697 11515550.88 8782579.365 Salicylic acid 6645318.811 11599869.07 10478080.99 14638155.86 14625544.15 2796828.219 8915819.179 5827629.739 8654790.235 5919288.852 18699188.81 23479019.32 30022772.07 20966844.72 26901578.81 11137959.11 12249117.54 9654949.699 9731480.434 8548927.593 10062288.5 18405621.69 14780053.56 17835568.23 12862652.32 6832096.532 5646314.522 6333528.986 8470236.349 8271103.294 14282646.44 6451843.776 9198241.883 9226760.224 9623282.87 3383468.959 2496175.102 2988929.381 5725737.263 3781575.544 16989912.76 11188376.97 12040748.9 14182766.93 14563117.54 8915189.515 16540142.16 19032230.26 10750219.2 19216464.17 2927615.779 19288117.66 7913691.911 8173843.628 8266742.544 2069763.499 3862519.941 4244166.032 1777227.389 2025097.785 14755874.87 7919389.971 7085094.979 15239145.19 14667651.57 1280310.525 2912487.513 1586644.906 1869600.748 794881.2761 12600507.63 11462902.14 13823035.47 18772667.02 15947372.29 5194434.151 6652304.27 5796968.375 4144171.618 7391269.259 Salicyluric acid 2445340.103 3889130.709 1671158.37 5220579.003 4663449.357 6441497.257 15661052.8 4375703.507 3354551.317 4313851.985 2077810.301 1833785.59 2874877.913 3370078.455 1833672.153 2682162.243 2840272.056 2962277.579 2486617.41 3736078.557 5565798.274 1341268.957 2006196.134 1340944.327 2210370.566 1877431.033 1660520.519 2211874.215 1878776.712 2033326.363 2237702.031 1143724.624 1488057.077 1015285.952 1410023.094 1187325.964 1433764.405 1538519.257 2245458.831 1363278.277 8973687.896 9288039.637 8443564.253 12374431.26 12297609.71 3139384.422 6678387.075 8296451.337 2894733.707 9339396.408 1467578.269 3040006.696 1632440.768 1781038.396 1833097.36 2050038.727 3572964.069 7458586.264 1749532.501 1813681.505 1118514.318 3266931.901 3337438.634 1869609.98 1557285.227 1560542.598 1758227.144 1650587.973 1912396.574 1377132.231 5314422.748 5301080.298 3607038.542 2610893.033 4881447.941 1015288.259 1307034.795 1796427.084 1442701.881 2130037.789 S-Allylcysteine 17777887.01 10573257.96 6023535.355 8536499.143 8406676.382 5041647.133 27787344.66 8031718.152 12426388.26 7048792.055 4404370.506 7736074.838 5026852.917 2883739.715 7267454.259 3382224.198 7703881.543 8526605.095 4035105.757 8561582.212 6427620.738 4439775.083 6311661.64 4880554.17 6801636.06 3625170.892 3913426.149 5051682.282 3843286.339 5210694.515 2657016.27 1453937.584 2322091.057 2147338.038 2839070.7 2717668.877 2697186.944 1932112.737 2338179.569 2756097.749 9244492.845 9835243.848 6631077.485 6862641.422 6619962.556 5098446.555 3967736.156 5892571.676 5113178.729 5156557.809 1432034.692 10315383.68 6516340.782 4912381.358 6293801.988 18745375.54 13582207.35 25140566.31 28587600.16 20580629 6830592.375 7393245.43 9301019.004 12865978.17 6962058.633 5844451.735 9848906.36 7887661.192 5598007.312 8998923.191 11281208.71 9707578.293 6409087.38 14155495.74 6655479.497 10294953.13 8981590.895 7609944.864 6498185.514 7494758.07 Secobarbital 44865700.92 69344047.96 88957746.25 59584306.11 60153231.21 56501879.1 50070263.16 61594490.96 75516942 48832942.32 115619776.8 92523757.2 76747138.23 95014735.94 103846691.7 74402816.66 40213033.47 70245944.49 91588716.12 71205464.6 19915489.96 47986825.72 90532257.44 44771839.39 75265113.1 37409579.88 74827331.7 37149888.55 37823676.21 49579116.85 52944542.23 19789544.68 24029462.6 31255656.72 23500264.42 72837233.47 48903746.41 71153244.8 43829859.76 70202379.63 35731477.43 68661092.06 68674598.1 25900602.07 11720811.83 55818456.82 72989414.66 58564524.23 35342692.54 63033403.58 85788584.63 134111347.2 67348101.77 73737125.48 63988627.99 114032931 87113450.43 79826601.59 86501608.52 118049803.5 68185391.02 71648606.18 84864563.84 83243922.94 66649193.34 93280429.15 78732940.48 106283710 54867647.34 105399638.1 102270365.5 64698792.52 60613028.59 36988666.09 54882725.59 95759723.61 80718430.9 73254695.94 96010832.77 81343397.21 Secoisolariciresinol 3104946.593 1093516.306 1053381.219 736874.0689 551554.7118 1320529.879 995430.7685 1237319.036 1231257.602 1538640.066 1773488.753 1204296.997 2236705.162 1196081.343 1374444.103 1547240.967 1791401.531 1944041.855 2534403.969 1297355.711 6595774.75 1147271.33 1189391.009 1386456.309 1012885.181 10940246.73 8360931.933 7650029.305 6600718.237 7551237.408 11543825.13 5826400.52 9726728.434 10023655.29 6314535.354 1600977.332 9339313.187 8036754.774 7611912.326 1526223.486 6657893.263 8506389.42 7826196.538 9532486.642 8465281.151 9967289.579 8460942.528 7971355.176 7022605.512 7996456.293 1205384.876 2682078.288 922054.5254 973673.1033 976284.1247 2593638.396 1106726.973 978325.6589 1101239.394 2018873.341 2671146.637 1672320.827 1376584.906 1211620.457 1509991.686 1137563.713 1225742.284 1632674.683 1087521.105 1780169.924 2004408.709 1253857.462 1125630.559 2054537.512 940498.1592 1920551.512 1282289.616 2050059.73 2677063.194 1832712.351 Sorbitan laurate 1802500.823 4093619.725 2386551.349 2370389.113 2532101.651 2825330.347 36928732.24 6516126.089 14307317.28 5717328.527 2630637.778 2706547.718 2860369.237 2440852.752 2349780.728 2813457.854 1458142.497 1184884.534 1477783.54 1304615.756 374436291.6 152644729.8 46950251.41 162095055.7 48227815.32 15797683.21 11737459.15 7054446.595 13495557.87 8022866.599 7422144.5 1547680.868 3354190.581 3560216.531 3466252.757 1935639.5 2371117.464 1572890.178 1582907.929 1821321.973 48375347.34 34283631.45 2482755.604 52738505.17 52668884.18 3227717.695 12985624.98 58688037.23 5298843.865 58004557.89 2858245.459 13326976.12 5246293.758 4673209.469 4928677.1 3368371.321 4812492.685 4652458.094 3453180.616 3301993.29 5850255.087 7770825.833 7108492.137 5817836.942 5747910.676 2828638.77 2311084.894 7068140.556 1471151.199 7122086.987 1358390.13 1131801.469 2323829.845 4753726.329 2541385.791 2311548.728 4390031.058 3579528.653 2971277.046 3500054.566 Soyasaponin I 9896767.362 9650268.513 8118942.036 11047560.09 12048810.37 5992231.256 9887825.558 10576960.66 12535077.2 12031529.48 11687319.27 13158397.94 11496965.5 9763952.891 9480657.663 16390805.69 18252533.26 12201226.44 16089986.19 11341420.99 25728217.65 7676123.167 7449943.825 10446154.76 9169866.851 43731886.83 34975466.18 31450197.35 36285589.94 31792927.65 40593634.98 29988420.76 30455159.89 43498245.61 34774620.24 12222410.68 33291309.04 40054134.07 33692407.07 11215532.41 31783996.98 38141053.6 42532659.28 38181803.07 41374570.64 42921914.33 37753849.02 42463938.1 32433374.99 37765933.85 9601642.731 13967902.4 10047592.14 5730397.488 11003145.13 18068363.01 11219998.19 11607631.11 9808354.562 15171658.02 19079052.94 13966291.39 8878369.978 10055595.11 16398842.08 8427580.662 10936459.37 6350364.254 11305196.91 4192802.029 19092110.47 9006984.56 5682904.336 14463980.8 5535019.972 22899917.82 16029780.97 17610943.35 21313683.42 19432572.33 Spermidine 11393298.93 31117501.02 71136554.65 32673553.6 33528954.6 41548142.1 37217407.62 45853307.44 21364653.76 44275844.05 51791556.06 50327119.4 45629542.86 53684696.23 54774283.01 63050590.93 10265237.94 38185101.65 38734727.28 38559674.81 22238869.97 10827167.8 11226895.22 10911195.23 9922695.805 5729444.396 12452508.71 9838030.216 12944970.92 9469008.244 48038387.48 20947230.61 33540105.77 32930489 36791726.66 20219506.37 56539132.55 62529597.02 38118422.47 22994152.93 24836691.17 21375475.35 14076031.65 24329820.96 24165189.23 70381037.12 28057391.81 25853187.26 26650910.33 25331328.7 7057774.767 16566323.32 14436045.03 15785033.29 11883807.27 15596358.23 12934216.75 30462052.86 14242471.52 14593956.9 12839875.26 13082019.93 10876894.58 8495960.72 12524039.58 12269155.13 8898916.771 16364528.3 14955165.73 13887642.51 9473914.007 13175008.17 10984152.14 14264571.85 10667004.62 4837901.884 10740924.07 5412199.302 6354062.846 6598969.901 Sphinganine 1-phosphate 47250886.1 51191110.27 45634207.65 40531216.11 38594378.09 25483306.07 27784182.81 50287547.82 45996999.91 49672834.42 40879408.54 40578269.54 48327719.52 38931170.54 34639126.84 42077246.03 25272723.27 41564844.82 24502511.16 39317602.65 41573677.11 55443536.25 41971987.95 55066849.16 38242036.2 38509992.96 16152245.02 32595015.85 34929093.48 24946936.35 18005520.85 7198841.624 31686394.84 19474914 31468134.22 14882426.69 23677070.04 15528202.56 20717341.42 19485560.08 74668848.07 50936576.55 33421599.67 29599575.95 31496972.71 83465109.06 60643824.45 32521168.42 61365012.86 33648031.18 23949081.66 43023895.97 45301808.19 44418790.52 45535539.43 26861500.34 30446031.5 51601239.93 27996498.56 27417631.74 28272506.75 28508816.08 29773061.5 34680865.21 30109456.58 39416786.04 29803882.98 22098569.29 26802858.03 29367978.95 40282057.27 45197932.57 44019512.23 43121023.52 39974385.23 25710620.41 33219121.03 27992379.98 28205900.09 25103204.91 Sphingosine 1-phosphate 191979154.4 162870636.7 145023797.7 177848825.6 179546794.2 135574907.6 130143881.1 237797121.9 186325743.2 248218012.7 166872194.4 222339920.8 242784607.8 183303871.8 198174313.3 222051758.2 173989918.3 254547279.6 184237780.7 248524098.1 221701449.7 260303673.5 249865437.4 290806789.9 258683780.7 263080848 135301107.3 262907785.2 282629218.6 280420706.4 103214518.9 43570336.76 119372428.5 109349523.3 134569390.3 96989347.88 157240814.5 98785868.5 96871598.51 101221596.7 288900829.9 229268223.9 202320189.7 166600087.2 168398320.1 314014295.4 301886018.9 176506043.2 272602084 209121363.9 115954761.3 232868312.4 155809307.7 158264865.2 152669749.2 122380607.3 141420683.6 262675855.4 123240664 135828065.7 134252381.5 180373010.7 170508838.7 152594049 134492572.8 192058298.5 199506386 135633751.4 141231492.9 144720845.8 224077976.1 156555637 187608794.9 227644564.5 215054528.3 136485567.5 202906415.9 192479319.9 188054514 181612956.5 Stearoylcarnitine 14925581.24 18004024.94 37836899.15 25279478.05 26467583.18 19742750.06 36181459.53 41439599.07 74140438.72 44100541.6 13991595.61 17067117.03 14983285.08 10607761.56 16710173.74 14386148.98 9403920.785 15608678.96 10446261.4 16709270.38 54418501.71 33564302.14 21693179.47 32577873.69 18723171.01 67880045.18 29049558.34 17180368.09 23815338.4 19676770.85 6061435.844 4787935.05 13287573.98 7617667.06 14116619.46 8417434.716 32073664.09 16554236.48 13850555.1 8489764.967 24509888.14 13872068.82 13857787.74 8619407.819 8713580.604 19145760.65 19402139.97 9861730.014 19479668.87 10623896.88 19267946.28 14634708.21 38024156.29 34866875.96 47219053.72 46148254.89 18578986.21 17442054.05 48506447.22 51542941.75 34384403.75 64806774.15 65823330.8 24909375.77 34304286.34 70487336.5 17923185.2 43709261.04 19225911.06 50670856.84 25990130.16 27987202.8 30510238.07 14736056.63 29393794.21 7791518.712 16237427.74 14591947.43 12875648.23 13137357.69 Succinic acid 1061107732 2157368508 1524265177 1804194881 1664114485 718436724.3 2118387382 1619842896 1605470364 1603903014 212598481.4 600278404.5 450381838.7 734051019.1 549553496.1 429016690.3 525484705.2 973669341.4 476777155.2 980802416.2 406544149.2 238679933.9 354331232.9 247436592.9 375920915.6 843944253.7 346073548.4 523989269.7 483038407.8 650296588 117918348.2 51154565.72 63008384.3 51355901.44 61978186.92 78775375.68 148097264.5 202361842.5 82629085.1 77173779.97 1862698120 1599924915 659966717.1 1462224433 1367002009 1362766401 1216292244 1461994598 1502699569 1567510443 1226824928 2606874340 2360878901 2220060863 2332513414 3756570736 2782428038 3271556883 3953183910 3892223000 352025769.8 975876125 877987775.3 1482647085 332538694.4 994561882.6 1303750863 1567882539 2739250395 1541026627 1881725502 402842293.5 1334196100 1491778595 2207197375 649623430 2511045294 1028018177 1088187333 1062385980 Succinic anhydride 10211088.12 12567683.32 22693295.46 26368528.84 18931034.76 5826787.972 21128264.33 27947736.92 14643797.96 19980498.63 1039697.202 5125359.84 2671377.025 2817672.576 4054066.578 1282816.849 2939785.849 8478437.448 1912054.687 9514582.215 2122692.441 1344146.589 1411577.61 1109134.81 2368747.706 8422423.447 1830523.302 3638214.599 3386287.918 4416867.428 868433.4374 450788.0853 687426.2388 742534.7297 751536.3733 631872.9763 1223064.721 1646009.201 931132.1531 614640.0566 20622319.85 18729531.28 6455289.524 19627027.79 17127757.71 16016725.78 14945842.93 19953599.56 17982219.25 17311463.87 9848307.418 24457337.74 30981732.48 34470579.1 22212388.05 20399368.73 25293772.98 28226249.69 58040434.48 30290539.76 1361857.74 6329293.395 5191984.729 13096414.2 1355805.661 7149982.159 12863560.09 15307698.03 20199097.38 12995325.58 21104307 2149150.041 15684561.01 17032598.03 12873838.04 6531762.57 6174749.964 11198148.48 10892531.75 10850865.09 Sucrose 22924567.14 14216032.37 46579268.31 38815651.4 34101769.01 27029961.12 183568268.2 11651960 124143461.9 12641946.13 8578571.703 7318907.22 8643023.432 9535115.516 5555876.523 6216387.197 9963759.474 8022953.631 7533498.349 9267694.184 2274431.922 2643072.164 12641589.63 2728426.183 12085111.07 7093504.435 2696483.989 4441033.693 6694565.363 4932814.89 19769900.32 21179213.56 23239084.35 14995913.01 21637611.43 36415695.38 50603837.27 35709066.77 30299180.4 40377669.96 25245801.84 21319175.12 13838530.51 22038196.01 20585112.22 5506775.905 4123061.623 7262263.925 3453378.168 4988991.719 18183312.47 52578949.34 34705476.72 37393561.01 31742598.68 24990323.56 48725761.09 23870035.19 27473098.04 18870807.94 12756049.97 10666417.8 9255932.565 21525775.28 13000686.94 6028183.702 7687489.979 22208244.68 3813145.776 21638205.65 8810692.042 6301793.992 10182464.88 35212687.01 9863064.875 15166639.16 27154061.5 18576509.56 18703326.98 20411468.96 Sulfoglycolithocholate(2-) 4193395.191 2579961.559 2714216.509 5357020.991 5634434.174 2265844.623 4453010.948 6739650.326 2589088.837 6424165.279 1999390.946 2852225.799 4423934.635 4488542.532 5523181.622 6646060.117 8284662.283 4035545.393 1584289.84 633631.8726 4689906.623 4585786.955 14249150.25 3350730.031 17543905.64 11664207.83 13084150.49 5075914.567 10181081.33 6445290.426 3614368.131 4505838.638 7362751.355 6154375.852 3661784.068 4964945.509 7502879.085 2132796.814 6214288.364 3426960.305 10122463.98 10813184.98 4290322.133 11215919.78 6360948.757 16261261.87 10731277.19 35277997.25 6858817.907 41330132.84 3747563.144 2678463.456 2833748.786 2773802.121 3507644.072 6326474.715 4492663.657 4937662.259 5577157.204 5743137.438 9353878.365 4885048.416 2610057.456 3274824.011 9106239.535 2957908.665 3400537.898 2898218.051 2804642.368 2369775.821 4945327.539 2946316.589 3342905.523 9141364.721 3545969.714 5022644.519 1752512.594 3865209.438 6326643.037 4974011.318 Suprofen 3141019.734 1431389.403 2619914.45 10923184.57 12548478.17 2903271.07 1405699.131 11909835.14 6845212.569 5770761.573 3873577.397 5628398.005 5600173.176 2677839.322 4828547.728 4238631.909 3476854.589 5926442.128 5579505.614 5737660.781 2793324.678 2708368.399 3146906.456 3445638.91 3713420.54 10191680.52 5126494.356 6434156.469 3261805.302 4895850.17 3831102.685 617365.6805 2012817.737 3120082.641 2288241.872 4111168.362 3309834.378 3693646.126 6516275.011 4115302.403 12945929.72 8113724.443 3979808.805 4948182.697 5405486.037 16661949.17 9219076.425 17817939.01 18237054.03 18718867.08 1167951.306 4899752.799 7151979.752 7075160.936 4050739.321 4116862.41 8423407.647 3576274.481 3472471.5 2949239.536 3300653.586 3315246.064 3620741.249 5720689.659 2584801.872 4087812.022 8056076.906 6593214.012 1898323.603 8065437.188 3664594.725 2406675.531 3478770.542 7266752.442 3148909.24 3214791.771 6711054.033 4481684.554 5353579.584 2916691.99 Taurine 269433835.6 202674572.9 272558531.3 160925520.9 185791137 165864755.8 310668094.9 148584948 163528533.6 142468818.1 309585077.9 383033037.9 247173488.9 253074543.4 350052441.1 248301880.2 165297228.5 172567395.3 193727901.8 184584471.9 592396981.4 200729606.9 524373915.5 195072768.6 581171109.5 768339834.7 422450674.2 349421003.8 306232976.6 334471484 196974738.6 210813192.5 196597687.9 198725949.3 194087829.8 148779347.3 216907041.8 268161383.4 168636661.5 168005010.4 227135659.1 193506757.9 144747918.4 196485044.9 184769487 357618697.5 267750908.9 251829658.1 364346613.8 304800143.4 193914984.2 129861081.7 103824266.4 110062272.9 134247804.9 127114249 80442390.7 75145991.11 137913617.7 143506106.6 80282759.15 237334022.5 237345353.7 150861420.2 79250244.69 156703808.8 108676775.2 135018972.8 125390830.2 163102533.2 107574237.5 86071693.4 158382392.8 207837491.1 192642121.5 99266973.05 149095292.4 92262445.4 92909453.38 88485158.48 Tentoxin 17318920.7 22437813.58 28743320.01 20495397.97 20271093.42 20147490.15 19979171.12 26208233.31 31122084.12 25389025.35 39834440.78 31862325.88 31032428.62 27343069.7 27020704.83 25366893.66 13997601.78 24643179.67 34058300.87 26110338.28 8551046.599 17595702.83 25225026.67 19872043.99 25078043.01 13312575.27 25318408.07 17546937.83 14490483.59 18645658.11 15679523.82 7035378.999 8744827.895 12094642.35 8297578.274 16832078.59 14035532.74 21979849.84 16073762.58 20090333.79 13740801.48 20561471.16 18373333.95 10518573.33 10494348.02 19492257.92 27283152.59 20209234.33 12405063.93 20320960.94 29873618.19 43724043.37 25753409.78 28469110.08 22942253.72 43233728.92 30170853.85 31709913.71 32224713.18 37927903 23261563.61 20669287.25 29967597.62 26527571.62 20653373.26 33173409.28 30815331.92 35693478.94 22212638.42 30735928.05 28435823.3 22705853.25 21512645.71 17532366.31 22119207.26 30114503.87 24812446.74 27447827.51 35130209.52 26142508.43 Tetraacetylethylenediamine 3037331.909 2416801.748 3658170.44 5722887.795 5918309.397 4976396.456 5772611.813 7316780.442 4037471.118 6602734.739 1193481.434 1287952.265 1397484.547 1715367.624 1295071.04 2328983.61 2603442.264 3044436.891 2526225.296 3628031.976 962914.1898 842392.8868 2186020.897 894640.4029 2627737.197 1204633.515 784364.7012 1977795.115 1871545.884 2154834.529 1360934.61 843338.0258 1430194.419 864999.0763 646088.9319 2644142.717 2298135.829 1963653.16 2145330.81 2291730.025 4762187.938 3649511.672 4537560.068 5121165.242 6216932.145 2989708.389 3639338.834 3789697.04 2994218.18 2795922.018 2252977.652 3459050.847 1823380.862 1394162.068 1406662.797 4645690.517 6628481.159 8252519.61 4524812.623 4064352.8 1001753.183 1638629.462 2032646.483 3425965.128 1315658.264 3648788.835 2491777.756 4114750.204 2124828.989 5060146.771 2280163.018 1749185.922 3236628.28 2731757.9 3062686.196 1001810.781 1769949.125 1742642.09 1647011.527 1514998.396 Tetradecanedioic acid 11372943.6 30142786.12 34109615.87 20399053.69 24810443.58 8234242.11 21260214.04 41043503.7 19868299.12 40796571.5 11218177.37 12365986.02 16229504.37 12327786.18 14600388.36 8052505.523 5331831.531 7962541.732 5254623.604 7883760.919 398272950 219848019 114190657.1 227995393.3 94922305.52 56527948.47 68996101.67 26626696.3 38626094.53 22808502.11 13519314.59 10433938.31 14147457.13 11011165.08 13032010.31 7428037.18 6883696.309 9074849.276 6081157.139 6850796.943 17954179.13 17431078.8 9438390.658 16971214.84 19505981.79 16767980.32 29163064.47 41058987.26 18245293.64 34356100.09 30775911.59 35018317.27 61606409.75 56979988.98 56386568.1 47110560.46 15783862.17 22403554.88 50420339.51 44180705.92 45151599.36 100149355.8 82573991.84 33837880.47 54874738.62 37641547.49 15667024.61 28685197.92 11791880.83 32215014.91 15349183.9 16955605.95 31238279.1 24362482.32 33659938.78 10085807.08 14471306.62 16145500.19 19464169.82 16599592.61 Tetrahydrocortisol 29311712.1 22235512.97 40324385.72 31424220.8 29338989.71 58273.94505 2302002.978 172463.4274 493282.9826 1257207.798 4405520.828 8614988.508 5678722.727 4835657.839 8686315.665 95643.88788 42454.04044 45058.51939 43960.72723 54236.98597 24201445.39 21944023.32 9225002.068 26715727.55 10266532.16 1943771.522 76149.93989 937137.8483 2574646.009 1099343.132 9679693.362 9313164.753 6024433.367 6061491.549 5640774.874 61947.37196 76850.28017 74581.74135 83550.99519 58216.38148 18851356.9 21443765.31 13160695.99 25696984.55 28340872.21 1035319.836 5404692.762 9169435.976 2305758.73 9892757.776 15503663.69 17945044.73 27423829.05 25804755.25 24344407 1189840.96 90716.202 751179.9929 918188.514 429395.3865 25964761.53 32743055.37 24194084.15 16061553.86 21375589.75 280524.4265 90757.99232 145592.0398 44082.20358 184372.7132 18738449.74 26760768.83 7865216.086 9953849.137 7897245.474 50952.26579 97462.57975 149000.7956 126259.1611 128108.9403 Theophylline 11174951.6 8109468.199 7031657.86 10804320.55 10473237.99 7203635.114 20290286.16 9944459.447 15939102.98 9748475.357 3757271.146 2995314.155 4543146.514 3400829.074 2917972.775 5062779.381 5479415.89 8230636.382 4156286.735 7732318.132 9367792.682 5039954.182 10593579.49 5117511.926 10937077.3 15116480.07 11617270.54 13114132.89 12236124.47 13761389.13 4094804.57 2797393.284 4161913.543 3364777.395 4291346.511 4927154.291 5950217.862 4995646.78 6679599.465 5201502.678 15805457.35 21158733.68 12980513.3 33749661.45 34564012.49 5089162.11 5943517.351 12944778.13 6035775.595 12139219.73 3377181.552 17861477.37 10104142.52 10833325.26 10588433.76 10494973.73 12775103.28 17227780.91 10373938.4 10643277.35 7781750.39 6970855.357 8717699.494 10803510.76 7914738.114 7965083.4 7478775.718 7935682.716 3044270.646 8311416.538 6858244.715 8184743.687 5993222.709 6171932.298 7674516.629 4385268.825 4808926.556 7693112.548 7827494.572 8061137.135 Thiomorpholine 3-carboxylate 12335648.24 6784920.921 13771619.39 6157138.093 10593076.82 17156683.8 18325688.83 5693479.492 10132285.7 8735484.333 5604532.092 5256784.132 3924873.062 4175088.023 4887699.979 4653855.924 5874326.717 4510960.428 5966504.475 8970535.753 6400408.158 4988474.606 7366097.712 3668453.502 8359380.501 6849055.72 4446230.45 7797201.389 6151827.345 6892854.565 5251417.016 10914285.51 5622832.195 8344420.073 5736468.803 6297967.929 3481464.761 4289691.854 8523467.974 8658112.691 6527912.12 6917498.297 4583138.468 5445217.652 4477334.509 6051158.69 5258278.446 4903920.128 4195359.782 5423815.028 14010930.61 7235513.739 6218673.446 3870362.053 3235667.511 5707962.909 5684693.89 8171746.549 8419883.204 8817884.884 7481814.01 7005181.507 6157858.092 8610977.002 7542847.916 6973361.796 8163159.128 8590946.79 14752336.46 5521415.921 7472373.281 7870428.167 7766572.932 9528154.316 12826021.22 8375712.233 6177422.572 7896205.646 6583643.836 7130661.544 Threonic acid 138094826.8 118234294.8 171864129.3 226544700.7 225976248.7 313319842.6 369035357.9 423059667.5 194426826.5 371178337.4 81079027.98 65231888.36 84514286.73 98204299.48 70435286.32 113647276.9 126948404.1 109189464 106721508.6 125831829.5 242166026.1 134308706.8 181731846.4 138256510.8 178360125.6 292383010.6 186614525.4 147255517.9 146779107.2 153462173 91945112.7 81616351.96 97253304.3 76040025.72 103725963 175074952.9 162645429 160268260.2 144534035.6 161992020.7 175389540.2 166484629.9 131946639.5 177955498.9 183139570.6 141105824.1 110577774.4 147017005.6 162887717 138116181.9 132934250.2 185178611.3 156230881 172371690.6 150098934.6 402163287.1 336610289 287675470.5 360707560.5 381661612.2 86175151.37 132976139.7 122444417.2 124095593 90258242.61 184129847.1 216524996.4 137607057.3 153626960.4 138310528.9 97574190.68 103903005.2 111061681.2 135710679.7 103507478.9 145024567.7 267309433 183118821.9 173250245.7 187249969 Thymidine 18657375.37 21682786.76 23945704.16 22677869.88 21503369.54 8516388.064 17375387.46 9711342.97 18288103.85 10950220.49 17836618.31 24613285.04 24414742.66 22153283.11 26856521.24 9629199.255 8974396.364 14661063.58 16143860.74 15708860.31 10482273.9 9855533.621 10994456.9 11001932.27 10881374.41 12276676.95 13676830.49 14691636.47 14534596.94 26172300.31 13049947.37 15286821.18 14805401.81 14119480.76 15809854.07 14385585.17 18281279.96 17202442.04 14014608.37 15046461.21 19700197.1 18730310.69 16546474.07 21826457.4 24681411.62 16580691.29 20064258.31 19515515.05 17425757.39 20456354.11 37505252.39 33701433.53 29483138.59 35467895.93 32382951.28 27010617.04 22756811.92 41462197.65 30002243.46 28453441.38 19089285.01 29966740.09 28562951.25 22577162.2 18344051.47 32407870.72 16455717.53 21896505.96 23660519.41 20998355.06 29375604.82 28393185.71 21938587.48 30255656.7 22333374.44 9638409.698 10585390.78 9699280.778 9015367.23 9349429.428 Thymine 15848032.96 15978569.7 23272832.16 18058898.71 19080999.66 5902440.096 10408706.79 7859696.026 14783971.51 4364364.937 10163320.62 12287778.55 9411601.7 11070888.77 13602864.68 7424666.157 3173114.09 12462025.52 11492878.96 8101878.51 6456673.595 5276382.941 6392577.76 5854565.071 7349897.566 8118905.858 8361377.125 10598249.67 8462156.452 9077575.851 8254708.36 7797738.138 5947128.796 9186183.782 10582516.08 10223288.33 14428480.29 11940564.23 9699808.617 10470761.42 12499803.65 13354333.67 12339409.92 13819261.08 13490235.72 11482992.72 14393642.21 13118043.48 9422552.662 12781889.55 15617508.12 12268327.53 12343931.82 13091712.65 14072616.65 9938266.642 12931955.84 17274264.65 10682646.55 14455348.1 8278122.004 13450512.93 13713801.06 10099933.44 8257095.825 14660960.37 13186138.69 10022466.06 12232928.99 9939296.248 10216876.79 9760281.726 9275554.663 10929124.3 7678740.554 6141321.318 6333402.803 6888923.55 2609020.866 5446210.108 Tiglylcarnitine 531934.1461 1107595.77 1399848.205 1850541.722 1378121.144 2349834.938 5647034.583 9478136.652 3691669.07 9228165.782 419854.5594 767353.951 672463.8109 646593.7788 914828.5089 2924005.791 5218373.104 1998740.068 4673418.939 1872593.976 3085216.358 739359.2417 857663.7331 651568.6381 420562.3114 9173637.015 9565222.37 3181143.094 1964033.113 2911118.996 472758.1926 317524.2456 1345934.065 334064.863 1442991.739 1702674.5 2311743.555 2725008.879 4163328.058 1840186.359 1109554.802 1767098.416 5432066.891 2438510.04 2064851.037 6354424.977 3645681.094 1876910.11 1253761.274 1878841.733 791878.4469 834792.2238 2467293.799 2648755.367 3029914.988 2971810.923 4955646.074 7634172.02 2654375.622 2680014.665 1217264.598 2291574.219 2072614.27 1778168.179 1299143.241 7673871.324 5589031.545 2975139.091 2315912.876 3803906.557 897230.4871 1610872.622 1707532.85 1598625.306 1477321.311 3548727.903 3675274.413 3128037.134 2963880.775 3164673.503 Toloxatone 6737188.385 10231772.23 12306563.1 17245030.76 18443594.04 38075625.36 54116103.76 99333794.22 27623338.68 102625325.2 6078742.478 6758973.987 26229088.68 16684465.77 6243759.757 53773271.91 179782435.7 120259826.9 136198047.5 118280158.9 17836837.35 13139168.9 45827650.46 13143694.46 48113319.1 37800118.67 10436455.54 33863997.43 33535571.16 33959620.22 3507428.963 2441701.718 7360928.317 4993351.399 7309282.153 25487192.11 18137801.8 22369189.36 14264804.92 25852864.55 97079995.26 115362823.3 49690802.83 145825764.1 154478575.1 32996835.86 77133549.87 103790665.7 94098840.66 102294022.1 5444666.46 53132406.7 36424689.18 39058854.95 38856805.92 33592162.97 91209107.51 55794459.45 36305332.47 32190518.59 12558715.4 9068160.126 7832535.163 5308856.688 12242781.25 13788366.62 42201386.37 51632323.58 21847889.94 55745414.2 4718410.445 3898116.804 12006627.3 25127295.98 12616342.02 51436133.15 58286879.46 31496456.39 31504909.81 33375992.5 Tranexamic Acid 11953352.73 9103113.437 13303551.54 7537351.763 9246247.011 6836576.063 21189027.95 15623052.94 32896198.61 14616744.08 11063920.16 17252941 20196093.53 18101261.34 16283455.46 21194497.92 23895337.74 22211982.37 21332294.17 17946835.17 2194147.829 3975624.475 3782067.405 3252895.014 3611202.279 3917833.744 4694761.291 4515692.234 3888954.528 5442292.741 1122592.218 2378212.229 1904499.925 2440972.914 2141634.196 2892289.162 818479.8169 1197230.517 1549374.275 2920738.714 2543573.187 2935301.668 3066984.222 3538120.939 3669651.784 7138583.743 6253067.718 4209073.043 5620497.068 4770391.331 8137802.738 10780557.98 17609306.77 20729855.56 18356493.99 13969000.99 17538327.14 23904065.02 14177349.77 14746040.61 21780919.6 19528110.32 18472945.43 20980416.39 18993551.6 3165033.389 3220338.158 5388850.965 4977586.219 5533707.413 13269281.49 12364139.81 11586433.35 9662363.314 11066076.96 2570263.767 183845.8883 3429098.401 3629373.422 3185406.158 trans-2-Dodecenoylcarnitine 7560772.44 6255875.617 13035532.83 4501415.669 4655011.593 1587663.508 451527.513 6738784.878 4472523.145 9223757.939 3763134.273 2421716.303 3960074.456 3357628.799 3010745.505 1667575.204 1078336.349 1106328.343 1594739.552 1067048.713 16442810.85 15361718.51 10454302.55 19507753.29 9545381.365 6148481.288 7722828.474 2614249.859 3387955.399 2864578.664 690648.8261 1577152.689 1465080.125 1033698.77 2499013.759 844422.3572 3905636.001 3617392.755 1852617.391 1364874.281 7384584.736 3940080.444 4593134.458 1514807.644 3012375.111 3940726.146 3808261.188 4750252.336 4526413.199 5025165.512 6905198.131 1339945.559 5190749.275 6180930.943 5260374.849 5602224.723 513590.9146 1598712.031 5113979.201 4997026.893 21407132.83 25294088.99 15872568.77 4639441.78 15062150.77 20791603.97 2974280.017 5373627.865 1403437.147 7643636.112 2982815.108 9931800.463 14375952.74 1479221.583 17888623.83 3430923.054 2967818.835 1501568.295 1386675.08 2224877.327 trans-Hexadec-2-enoyl carnitine 19632314.67 39672804.93 71565152.95 43920208.29 38018201.95 40292978.5 34388115.46 218130844.4 104622855 208463392.2 9079990.757 7655149.908 14154218.38 9566816.995 9438340.183 4816335.881 1984054.122 6999083.582 7530131.795 7510985.708 199161314.2 161417941.2 69022167.29 165600691.6 69689259.11 101310328.3 196490898.6 43888576.07 45058213.51 42576732.16 1538838.408 7143864.696 7831246.499 5158727.435 9432103.493 12894801.86 39845834.97 24927781.95 15488027.56 13604225.48 32019918.24 24937320.41 28135252.28 14817447.44 13869617.47 32812837.19 24039445.2 34112867.84 28559414.95 33737799.06 73900407.53 21818744.66 114630834.2 108455778.9 105770985 95427708.11 26733858.26 43212089.97 121780163.8 104798416.3 93172227.56 214929780.4 173847506.8 49780884.25 101763003.1 243085536.5 43693755.1 72567914.52 61960100.67 75311317.28 41079606.35 78804616.71 139062127.8 27141946.84 133850175.3 40933578.45 31231153.5 39944093.08 39481415.69 41818958.55 trans-Piceid 545155.3423 356618.3804 396046.5053 430469.2504 511662.3884 353535.043 588553.2617 477430.1795 557759.7482 625576.2447 315642.2855 401131.2799 419248.2274 436691.4827 428075.3693 750884.8157 582123.9008 384354.8024 694658.1609 357392.8462 1164417.803 339327.672 303758.7798 445102.7077 495310.8385 1850958.401 1514186.901 1215494.94 1456391.276 1182120.19 1451804.926 1167809.015 1270839.119 1933283.11 1342486.248 434532.8881 1352021.555 1326753.908 1534881.815 482036.9933 824497.994 1150024.364 1543715.697 1084121.684 1040032.722 1228326.982 2067369.842 1215891.999 854835.2293 1281919.048 653972.0207 720613.0156 430334.0171 272039.6201 371313.4557 771343.8448 693700.1033 475073.3029 509120.1619 985724.0798 762030.2098 516694.844 470608.5351 279721.4877 598496.6448 304870.1854 374721.6846 314036.3789 243869.4671 239812.6356 597871.7245 383580.5808 282926.4882 417611.3748 426497.9101 736850.5923 531799.5893 638051.9392 838989.7742 723549.8329 Traumatic acid 5310427.137 9323097.529 13012272.29 11478327.61 11405681.58 8597550.105 24396681.43 32105234.64 28596761.29 33470631.47 6666265.175 6508999.675 6086628.998 5335455.658 7080337.797 11570073.32 11374269.7 11017429.68 11623203.52 12296663.3 114543945.1 51167968.39 16243731.5 46785664.62 16668790.53 59732732.98 68007322.42 13626701.75 9159780.688 15273727.88 6866596.176 2369903.625 5245739.608 3627255.023 4400708.142 6815777.616 9216665.277 11852812.89 6922854.738 8101734.096 12892856.46 14479186.65 10251228.1 16677164.67 16841049.28 17340555.74 17639232.12 24102415.68 13415416.85 22985122.66 7811227.021 12224877.18 11180789.38 9897152.642 10453833.73 31601741.24 10509438.93 23553151.4 30771196.23 30055476.71 14487815.05 34522567.5 32720117.85 11005945.62 16776840.75 58183878.57 17074513.47 56917494.28 11510958.17 60405333.77 7442624.078 7584598.172 9414814.378 12115460.35 10114649.74 11750338.61 17384864.32 16306108.96 17375695.64 17402695.75 Traumatin 4429018.624 4302507.028 6658903.683 5167238.216 5872026.075 4721022.379 4261685.841 6552423.644 7192260.53 6490015.609 11490387.89 12705371.76 9267851.148 6968749.519 12692032.65 5266793.773 3532994.603 5536950.156 8212092.597 7733535.809 8230481.944 8823393.379 8126079.479 9669047.964 11267570.02 10054556.69 9075134.148 8595993.122 9146168.648 9284628.45 8947471.563 5369076.184 4357475.197 6113283.464 4677038.555 8910696.699 7438711.15 11430456.44 7648329.549 7771459.389 8422278.805 10965648.87 11731328.95 6964176.931 8859539.602 8872447.834 11829778.81 7823033.31 7089177.126 9389715.376 6446608.212 10891664.65 6115789.693 7191136.215 4635705.155 8329719.96 7321466.837 6458313.924 8070651.459 10277038.87 7261973.035 6086226.452 8018716.589 6501509.296 6373349.543 5273800.454 6127930.818 7720746.432 4394314.933 8269645.366 8097257.738 5996187.331 7308346.592 5179223.525 8647769.902 6449007.137 5833050.329 7173704.379 10308206.52 6654136.886 Tridecanedioic acid 4210203.054 6116989.16 6456038.819 5660778.101 6465262.63 3767720.006 7726428.101 6582395.753 8040994.437 7938610.311 6687043.725 5694042.001 9393148.848 5910214.404 6966165.25 8088666.756 5024237.448 7073428.057 6536889.61 6722116.257 19304357.91 11507257.98 8494906.808 12155586.86 8912402.239 11082588.16 14766779.71 11961604.76 11080242.52 12241864.34 7191861.959 4879879.514 5562262.042 5705323.258 6395281.076 7588762.417 8923286.596 14576361.14 8866707.668 8204042.272 6852019.434 5918165.97 5766751.697 6639287.205 5734715.294 11477228.75 10696619.73 8926228.872 9703493.137 8329381.124 7025316.75 8280720.208 7980279.755 7740015.783 7733247.799 10550656.84 7004133.432 8522968.688 8769308.875 10784116.05 10401020.78 10255348.45 9073967.816 6821208.673 7142918.212 6351739.63 7784292.853 7784136.875 6682836.537 9322023.682 7342461.124 6404906.904 6844778.323 6706924.953 7672587.027 6374512.76 8867539.167 7128052.234 7469493.81 9079631.408 Trifluoroacetic acid 414718677.6 408149131.4 424224830 400962111.9 398953396.3 479478612.7 437931677.8 409938485.3 388454095.5 385626045.3 459464705.1 440948260 379312434.1 452977300.6 443254410.8 447096289.7 438970031.1 399060044.4 467641637.6 423346093.9 440497942.7 425172640.1 448263456.4 423796937.5 433524794.4 446116200.1 438918181.4 432759605.5 444204798 438630626 441898460.7 478487817.7 436191191.1 426044779.4 427682964 405568162.2 418244269.8 419986478.3 414502595.9 417981098.3 423538551.1 421975442.7 408350573.3 415667870.6 438899765.5 417994900.2 424590759.2 420304347.2 438692996.3 439812559.9 407400795.8 395646098.7 395278869.5 398336575.1 398794830.8 431465877.8 412662004.2 402434560 385625177.2 401373202.4 446445568.2 417269982.2 444031671.6 428312716.4 444120819.9 438035309.3 445754689.5 445455251.5 460678826.6 443614072.4 431203670.3 443492962.1 427199142.6 439010269.1 428623658 423799753.1 434311151.3 424017141.7 428301791.3 428144411.1 Trimethadione 15863213.55 20432908.4 16091327.71 20611773.42 29773712.28 11531550.25 38965454.03 15900842.16 47409683.56 15544536.9 8557494.437 12910466.82 15389942.67 12441628.25 14192909.04 14979613.51 11419959.2 22316845.62 16777175.76 19223282.33 3730780.756 2755496.957 12382397.23 4140889.585 12499872.65 12665077.87 4751736.706 15219611.46 21682223.69 14019265.7 9657241.874 27375223.39 15404937.39 17831970.51 22250183.3 39170442.17 11910950.96 16026664.06 37981905.57 51265347.04 13944830.14 25022834.39 33134138.95 20439949.8 22403357.57 5867654.592 6283041.801 5797523.99 8032590.754 5128796.022 16399850.86 10463176.16 15413489.84 18482030.8 16418733.91 34063361.27 26713346.28 13978257.75 36574790.74 41652203.91 5902559.431 12644989.16 11429139.81 8358615.878 7797768.041 16024056.27 11527623.01 20798969.13 5689852.781 15201127.1 13219637.47 9298431.918 16889327.99 11222863.4 14607083.07 17364881.87 21961491.01 23143081.49 26307559.9 19396144.99 Troleandomycin 4700092.108 5855677.007 9151665.628 8552921.883 5115160.887 7743708.887 6338860.442 5882684.868 6877423.279 5137748.93 14719110.94 11335636.46 9265204.316 7377251.819 11271432.58 7381297.029 6722077.05 10019617.32 15637827.61 9502985.844 4975511.35 7599000.448 12857757.29 6133699.824 9147961.139 7627753.546 6608333.958 8776959.158 5561677.066 8322691.912 7607886.435 7072178.209 7704070.816 7714894.661 5517835.481 7827659.68 7293957.493 6048017.686 9200446.633 7732359.609 7357307.758 7400591.97 8526281.507 7489504.235 6404432.815 8762347.083 7574279.299 9706060.768 7351720.724 7439632.745 5294094.731 12193867.4 7174395.711 9797156.571 5260125.717 21589609.38 6397461.073 8477398.734 5590615.492 20574777.99 7427017.491 5624278.755 12482733.49 11763406.4 8843531.557 22352644.28 9514929.704 17861800.09 5467989.291 11998660.25 9910371.738 9998473.679 4139072.549 1429192.318 6611419.9 10479240.32 8722947.248 4305146.464 12443740.97 9481732.303 Tylvalosin 53621308.94 68743040.7 87858802.89 59739072.58 58327748.25 56667282.55 60135633.45 59463897.22 76311156.8 61959196.08 115855141.5 105003352.4 89437209.71 97693687.35 98959785.71 74073948.7 49582957.07 68523018.41 92673073.23 62968106.56 37102928.07 43613226.7 76885883.41 49173513.31 78766555.21 56666262.89 81090929.55 61002293.1 61286427 63639025.26 68479891.5 40359015 47799786.61 56667118.81 33812942.76 77175294.56 66964301.22 94316226.96 64746963.17 66020915.31 49976764.26 75936800.16 73034773.46 54134457.25 52505075.92 81333589.98 88755298.09 69809585.66 44427664.39 78089877.65 100249327.8 139793435.9 71031213.83 73052396.94 64943080.02 122594053.9 81445308.51 78731175.89 105950829.1 120446391.9 80671926.6 70227171.15 89701551.71 82199614.61 71383522.05 97907634.33 81721479.61 110882247.2 58781407.72 109965086.7 93154570.36 70017064.98 57567862.7 53041717.82 58498040.86 103248973.9 80770983.51 81263246.92 113846600.4 88034381.71 Uracil 29900301.19 34982843.17 51840083.91 72324956.69 61740504.65 95745650.54 53885967.61 66588997.82 40113182.94 63900116.35 29735241.87 32263935.28 34754520.14 39704888.86 39795417.54 29787515.94 29919803.43 57308679.82 36088315.29 33634270.12 24064745.57 21138020.69 38946540.6 19788544.32 43634229.03 92403979.58 38012510.73 29741123.57 37286137.71 43501014.16 24805873.97 17521494.45 25190531.08 16569581.28 24380847.31 29201836.47 23007777.58 29214172.8 38148027.91 29778816.79 94527337.68 77344655.46 43001637.28 59898439.52 62683738.17 112813104.9 39872706.8 81695893.11 111753726.5 90747830.48 67436800.22 57148632.45 50083228.28 49671232.68 59785888.77 83801871.42 91381960.57 57780022.13 58740530.19 70494618.71 41945295.32 32661141.94 29661711.47 73105174.23 44855517.21 37344551.44 58984384.89 91521352.69 50855583.66 72708931.65 45362451.96 29097236.58 34944955.52 67227011.04 30866802.2 63497246.11 62894225.28 47446965.72 49040885.44 45912408.3 Uric acid 588353315.8 1158596081 992606007.7 1092361695 992127758.1 768107595.1 1639215680 1198702111 992063041.5 1239525770 471322582.3 450452370.6 424312698.4 421769970.3 433571505.5 350706595.3 329944913.7 876086938.4 477638691.5 930607332.2 379348391.3 459102646.1 693978269.4 468255038.7 737707833.9 1283073917 562029532.5 625115563.8 628984708.6 685200192.9 362624718.1 224848312 338736465.3 303965664.4 355784868.8 320180712.3 242765347.5 392359373.3 353632990.5 304238904.5 1476249737 1152861740 598346415.7 1318201954 1296402828 1167600563 1704347689 1835645408 1437075568 1860232088 789313395.1 1606754327 1207706355 1194009005 1181441575 1627628615 1211777629 1517908181 1606944245 1607937580 570257440.1 841212557.8 792989289.3 1124486638 535759692.4 664180342.3 1097130431 751218789.5 893958841.5 736959285.9 937769766.7 429987517 645045130 878244462.9 664669734.9 518393428.3 709510910.5 866328908.2 964668021.1 890221690.7 Valeroidine 92852.25581 262426.3217 279901.1098 282825.5281 256543.9653 1802446.224 1321744.426 6400401.373 2816384.261 6510091.429 41067.28655 96257.65553 137850.2548 115855.7833 105323.1397 751653.0841 634539.4123 1881123.331 1302898.681 1861260.088 142531.1458 65986.97976 148182.96 56911.06811 169867.6336 1396925.704 612188.6739 672899.137 343364.2404 410380.3 58144.38486 57227.84224 75320.1156 51755.91639 153305.8789 530564.9433 210740.4613 650301.7412 425207.2674 399439.405 279677.9216 164298.4843 59048.51953 82377.86468 63817.19113 1917610.254 1516288.967 724886.2785 1281049.725 565193.2479 203779.9356 187627.186 382979.269 390939.4724 391046.1294 3323993.629 2075353.366 2355947.108 4177855.608 3488823.898 315818.7708 298438.2214 336748.4386 247488.978 283394.7806 1715391.89 1110656.754 2082155.929 458298.4719 2392903.049 213350.2445 145418.6985 192123.0543 106616.3103 206819.0088 1186365.667 1058514.535 1017923.205 850236.6874 891529.6204 Valine 1229710981 754610580 899456200.2 366792956.7 613646600.3 808867045.1 435841783.6 852240860.3 991585116.4 835107956.2 820837413.6 727811411.3 921837638.7 681423677.7 677599948.4 918687161 933855223.5 872796125 839347183 873121060.1 1243620262 663350523.1 708805212.3 759152200.2 740430945.9 1032886791 850299545.3 995414628.5 955182119.8 845724717.5 942798361.6 540104988.3 728280054.4 721507574.8 717322718.1 651576468.5 488131766 673637908.8 847963670.5 593504336.5 722992922.3 878124069.5 530308670.9 760323722.4 761628844.7 945078415 659071876.3 803352122.6 624532243.1 852853304.9 541727184.5 357867369.1 733695786.2 850857028.3 707588288.3 703213105.9 593511592.5 958734737.9 708882144.3 770256499.7 527564242.7 632736318.1 526540231.8 531058343.8 517562823.7 484774179.6 463013235.8 454341963.2 411429505.6 487438816.9 531596035 433436780.7 564457703.6 596656778.1 781864012.2 393294802.2 514129167.4 471824577.9 468210923.1 414697252.6 Vanillin 1695276.269 3198285.928 2557091.425 2814803.328 2573489.826 1446688.957 2117139.689 2613969.504 2653853.203 2715048.705 4255465.695 3979710.965 4793166.819 4597875.843 4557065.218 2168903.687 1204546.938 2591798.246 3070866.221 2105167.843 1911174.768 954599.2739 3190430.879 1368397.205 3564884.846 3841390.05 6600190.133 3499895.917 4637241.46 4571184.264 3420100.673 2335524.768 2047394.126 4034826.475 2233959.436 1959195.484 4203001.894 6304209.509 3490662.444 1762892.371 2562289.414 4836417.853 4617137.619 3968203.422 2459780.304 4076860.625 5963290.634 4729804.511 2281201.652 3431389.381 2903411.601 4224821.528 3757848.473 2505664.83 2624990.891 5484670.908 3335013.101 2608397.701 4437199.227 5093578.771 2829881.797 2154304.448 2464166.376 2365154.604 4893478.868 4176860.408 3747627.108 3638478.468 1548315.12 3337398.565 4699848.568 3092782.484 2426549.952 1636706.871 2506879.033 3757204.944 1940073.38 2939882.006 4560413.374 2430502.75 Vigabatrin 778204710 605147987.6 493051582.4 447047006 450239431.1 268101717.6 880289737.8 395505640.8 714592975.8 382749893.6 778755537.5 536771129.1 625646329.1 606895446 556886946.9 411855916.5 347850251.3 457039288.9 488914878.8 427214407.3 985867511.7 538475975.7 817966597.8 567299617 758328112 718381315.6 622578203.5 794070836 696377383.7 803024975.3 774354089.7 411965332.1 596547522.4 609252061 610418558.2 287870505.9 226794188 249273615.2 270000490.5 275549250.2 753113714.9 724768677.1 482804116 783988062.2 772364523.7 366468177.8 523014028.7 616683729.7 437276441.9 586568480.8 209072871.8 681529996.6 336633317.4 350885529.9 449459592.9 365393193.1 365849538.9 485703848.4 364974086.6 344130335.5 257942157.7 392385155.3 356471897.5 401050258.4 256028456.1 246287091.4 390032214 229526275.3 306484826.5 266194842.5 359836472.8 315096491.6 421963538.1 422249358.6 391873344.5 175970724.9 320695433.9 280544371.7 285701282.7 258318410.1 Westiellamide 8530765.217 20544228.94 33548685.16 12386716.33 15013401.95 17438839.83 14135192.89 14210640.15 21859915.71 11898913.39 39612190.35 27832346.37 19811976.65 28975775.28 27212628.93 22030038.37 6283010.515 16001502.04 23914092.14 17311330.71 11798156.46 10159162.84 24516996.19 9866719.754 20912542.3 25206979.25 34310067.01 31524268.41 15504996.77 29714342.33 24088249.44 13581292.17 15636203.64 22985848.44 14189338.87 18662042.43 24079973.6 38779299.6 29142887.26 19429905.4 16996379.65 32012887.25 30405588.69 20156226.66 21613821.52 33379513.4 30142067.98 33579554.66 20121503.47 34777400.07 22254749.68 43266682.82 20693742.91 17820459.62 17503548.74 32106085.93 18750198.03 22034850.2 21840532.85 32985133.46 16762300.08 17686925.84 25857284.99 23063280.59 15132292.35 23680700.27 28406140.43 30497903.24 15065390.14 28041083.3 27897212.4 19212839.46 10933271.83 9761076.07 8386172.57 25392426.14 15984713.01 16616093.97 31388523.91 19669236.06 Xanthine 1627184.863 217715888.6 119181530 161032724.3 164949185 89224751.91 102765201.8 137836689.6 46647598.16 153761595.9 118851574.1 387978577.1 166497858.3 194267667.5 333908306.5 15616435.08 1598812.053 102235911.6 4198308.137 111784760 1879778.476 1340256.972 137332869.8 1360276.663 147779089.8 28962288.1 1941718.639 18235068.71 39133133.07 17223574.69 87044025.02 76175569.5 110112255.9 101005404.1 100712887.3 20536170.87 149394035 76471995.59 69231808.8 22447382.34 262046108.4 139041997.7 1309289.329 82923345.47 68503698.43 467484253.8 268339357.9 133445544.3 431871258.2 115546950.7 77471564.92 355426349.6 102722118.5 120655916.1 118295253.9 226947000.7 241155748.6 369841028.9 196651750 177729643.6 1340004.512 1546785.209 1435372.478 303735870.7 1338748.623 1401232.62 192239671.9 18499143.07 363032913.9 19254621.84 90398384.4 1226287.277 137512248.8 220352173.2 128364336.3 1091326.542 12941813.12 2812278.154 2385771.077 2090196.825 Zeranol 23824202.84 28589814.13 47674618.47 25885340.56 25780697.74 25305525.23 22000025.12 29774372.7 31468194.14 28939170.83 47328583.3 46021588.88 43420323.5 51400088.92 56140986.53 32303790.05 29011913.48 23583261.14 42006210.96 28667111.26 16383871.08 20889336.54 39622590.38 18756189.24 37009063.32 34306765.7 43275494.17 32895985.38 26802689.38 33221694.34 31051768.53 16981599.96 21166237.49 28222865.23 20111366.43 34511744.14 30817060.77 45678064.64 28136132.64 34839938.82 26406742.44 33752076.43 37856206.54 22213676.77 24734561.17 37925627.19 43709092.46 33930577.36 17994184.46 32423244.04 50911789.59 54692272.76 31516032.74 39111687.56 22587271.91 46628946.25 44191371.37 33663393.49 41156350.51 44169667.89 37486634.88 32713825.69 41639703.39 36915876.08 33819712.44 52649230.13 41881754.86 54967277.13 23849478.46 56854052.63 44419431.77 26573915.68 21885687.84 28162721.09 17798987.14 45207753.43 32347816.41 35206548.14 47921966.49 33432696.55 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Human Metabolome Database KEGG InChIKey Formula Molecular Weight RT [min] mzCloud Best Match mzCloud Library Match: Autoprocessed mzCloud Library Match: Reference MS2 Phenotype 1 1 1 1 1 1 1 1 1 1 1 Phenotype 2 2 2 2 2 2 2 2 2 2 2 Phenotype 3 3 3 3 3 3 3 3 3 3 3 (+)-Calycanthine HMDB0029561 C10573 XSYCDVWYEVUDKQ-UHFFFAOYSA-N C22 H26 N4 346.21418 11.236 No matches found No matches found No MS2 (±)-2,6-Dimethyl-5-heptenal HMDB0031834 YGFGZTXGYTUXBA-UHFFFAOYSA-N C6 H14 S2 150.05422 1.421 No matches found No matches found No MS2 (±)-2-Hydroxy-4-(methylthio)butanoic acid HMDB0037115 ONFOSYPQQXJWGS-UHFFFAOYSA-N C5 H10 O3 S 150.03491 5.43 86.9 No matches found Single match found DDA for preferred ion (±)-Camphoric acid HMDB0034491 LSPHULWDVZXLIL-UHFFFAOYSA-N C10 H14 O4 198.08918 9.857 69.3 No matches found Single match found DDA for preferred ion (±)-Furaneol HMDB0040594 INAXVXBDKKUCGI-UHFFFAOYSA-N C6 H8 O3 128.0473 6.948 No matches found No matches found No MS2 (2S)-2-[(2-Methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid VUAFHZCUKUDDBC-SCSAIBSYSA-N C7 H13 N O3 S2 223.03362 7.777 No matches found No matches found DDA for preferred ion (R)-3-Hydroxy myristic acid ATRNZOYKSNPPBF-CYBMUJFWSA-N C14 H28 O3 244.20369 13.145 92.5 No matches found Multiple matches found DDA for preferred ion (R)-3-hydroxybutyrylcarnitine HMDB0062735 UEFRDQSMQXDWTO-YGPZHTELSA-N C11 H21 N O5 247.14173 1.792 No matches found No matches found No MS2 (R)-3-Hydroxydecanoic acid HMDB0010725 FYSSBMZUBSBFJL-SECBINFHSA-N C10 H20 O3 188.14122 11.839 89.2 No matches found Multiple matches found DDA for preferred ion (S)-10,16-Dihydroxyhexadecanoic acid HMDB0037798 C08285 VJZBXAQGWLMYMS-UHFFFAOYSA-N C16 H32 O4 288.23023 12.004 No matches found No matches found DDA for preferred ion (S)-9-Hydroxy-10-undecenoic acid HMDB0032662 CJUFNYIRKDOQMC-UHFFFAOYSA-N C11 H20 O3 200.14127 11.968 No matches found No matches found No MS2 1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol HMDB0041091 UEKHBUNMFZUBFK-UHFFFAOYSA-N C22 H30 O7 406.19889 11.462 No matches found No matches found No MS2 1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose HMDB0034879 ZAWLGBRDVQURAK-UHFFFAOYSA-N C12 H24 N2 O7 308.15807 0.753 No matches found No matches found No MS2 10-HDA QHBZHVUGQROELI-SOFGYWHQSA-N C10 H18 O3 186.12554 11.499 79.4 No matches found Single match found DDA for preferred ion 10-Nitrolinoleic acid HMDB0005049 C13800 LELVHAQTWXTCLY-XYWKCAQWSA-N C18 H31 N O4 325.22536 13.733 77.9 No matches found Single match found DDA for preferred ion 11,12-Epoxyeicosatrienoic acid HMDB0004673 DXOYQVHGIODESM-KROJNAHFSA-N C20 H32 O3 320.23504 13.202 90.7 Multiple matches found Multiple matches found DDA for preferred ion 11-Aminoundecanoic acid C19325 GUOSQNAUYHMCRU-UHFFFAOYSA-N C11 H23 N O2 201.17281 1.633 No matches found No matches found No MS2 11-nor-9-carboxy-Delta(9)-tetrahydrocannabinol HMDB0062770 YOVRGSHRZRJTLZ-UHFFFAOYSA-N C21 H28 O4 344.19881 11.838 No matches found No matches found No MS2 12(S)-HPETE HMDB0004243 ZIOZYRSDNLNNNJ-LQWMCKPYSA-N C20 H32 O4 318.21938 12.873 82.2 Multiple matches found Multiple matches found DDA for preferred ion 12(S)-Leukotriene B4 HMDB0005089 C04853 VNYSSYRCGWBHLG-CBBLYLIKSA-N C20 H32 O4 336.23025 12.105 74.3 Multiple matches found Multiple matches found DDA for preferred ion 12,13-DiHODE HMDB0010201 RGRKFKRAFZJQMS-OOHFSOINSA-N C18 H34 O4 314.24589 12.292 91.4 Multiple matches found Multiple matches found DDA for preferred ion 12-Hydroxydodecanoic acid HMDB0002059 C08317 ZDHCZVWCTKTBRY-UHFFFAOYSA-N C12 H24 O3 216.17237 12.375 No matches found No matches found DDA for preferred ion 12-Hydroxystearic acid HMDB0061706 ULQISTXYYBZJSJ-UHFFFAOYSA-N C18 H36 O3 300.26648 13.559 No matches found No matches found DDA for preferred ion 13-HODE HMDB0004667 HNICUWMFWZBIFP-IRQZEAMPSA-N C18 H32 O3 296.23494 13.445 79 Multiple matches found Multiple matches found DDA for preferred ion 16-Hydroxy hexadecanoic acid HMDB0006294 C18218 UGAGPNKCDRTDHP-UHFFFAOYSA-N C16 H32 O3 272.2353 13.9 83.8 No matches found Single match found DDA for preferred ion 19,20-DiHDPA HMDB0010214 FFXKPSNQCPNORO-MBYQGORISA-N C22 H34 O4 362.24591 12.436 88.7 Multiple matches found Multiple matches found DDA for preferred ion 1-Aminocyclopropanecarboxylic acid HMDB0036458 C01234 PAJPWUMXBYXFCZ-UHFFFAOYSA-N C4 H7 N O2 101.04744 0.909 No matches found No matches found No MS2 1-Arachidonoyl-sn-glycero-3-phosphocholine HMDB0010395 LAXQYRRMGGEGOH-JXRLJXCWSA-N C28 H50 N O7 P 543.33185 12.669 No matches found No matches found DDA for preferred ion 1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine HMDB0011503 YVYMBNSKXOXSKW-HXUWFJFHSA-N C21 H44 N O7 P 453.28588 12.898 No matches found No matches found DDA for preferred ion 1-Methylhistamine HMDB0000898 C05127 FHQDWPCFSJMNCT-UHFFFAOYSA-N C6 H11 N3 125.09525 0.73 No matches found No matches found No MS2 1-Octadecanoyl-sn-glycero-3-phosphoethanolamine HMDB0011130 BBYWOYAFBUOUFP-JOCHJYFZSA-N C23 H48 N O7 P 481.31658 12.577 No matches found No matches found DDA for preferred ion 2,2'-Iminodipropanol D08906 WCYGORCMAJDYJN-UHFFFAOYSA-N C6 H15 N O2 133.11022 0.872 No matches found No matches found No MS2 2,4,6-Octatriyn-1-ol HMDB0030968 CDDRQTICNABTAT-UHFFFAOYSA-N C8 H6 O 118.04173 0.965 No matches found No matches found DDA for preferred ion 2,6-Di-tert-butyl-1,4-benzenediol HMDB0040178 JFGVTUJBHHZRAB-UHFFFAOYSA-N C14 H22 O2 222.16194 10.716 No matches found No matches found No MS2 20-Hydroxyeicosatetraenoic acid HMDB0005998 C14748 NNDIXBJHNLFJJP-DTLRTWKJSA-N C20 H32 O3 320.23503 13.508 77.5 Multiple matches found Multiple matches found DDA for preferred ion 2-Acetyl-4-methylpyridine HMDB0037071 HRVQMQWVGKYDCF-UHFFFAOYSA-N C8 H9 N O 135.0683 0.979 No matches found No matches found DDA for preferred ion 2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1',2',3'-trihydroxypropyl)-5,6,7,8-tetrahydroxypterin HMDB0012143 C05252 XWORXFNMQCQKKK-UHFFFAOYSA-N C9 H15 N5 O8 321.09298 10.342 No matches found No matches found DDA for preferred ion 2-Dodecylbenzenesulfonic acid HMDB0031031 WBIQQQGBSDOWNP-UHFFFAOYSA-N C18 H30 O3 S 326.19063 10.132 No matches found No matches found No MS2 2-Ethyl-4,5-dimethylthiazole HMDB0040068 BVOKJOZBJOWZNJ-UHFFFAOYSA-N C7 H11 N O 125.08402 1.461 No matches found No matches found No MS2 2-Furoic acid HMDB0000617 C01546 SMNDYUVBFMFKNZ-UHFFFAOYSA-N C5 H4 O3 112.01596 1.533 80 No matches found Single match found DDA for preferred ion 2-Hexenoylcarnitine HMDB0013161 JUAQYRSUSCWTQK-BQYQJAHWSA-N C13 H23 N O4 257.16279 10.423 No matches found No matches found No MS2 2-Keto-6-acetamidocaproate HMDB0012150 C05548 NGCXIFFZXAZRAF-UHFFFAOYSA-N C8 H13 N O4 187.08431 1.415 No matches found No matches found No MS2 2-Ketobutyric acid HMDB0000005 C00109 TYEYBOSBBBHJIV-UHFFFAOYSA-N C4 H6 O3 102.03161 0.957 No matches found No matches found DDA for other ion 2-Methyl-5-nitroaniline DSBIJCMXAIKKKI-UHFFFAOYSA-N C7 H8 N2 O2 152.0585 2.692 64.4 No matches found Single match found DDA for preferred ion 2-Octanamidoacetic acid HMDB0000832 SAVLIIGUQOSOEP-UHFFFAOYSA-N C10 H19 N O3 201.13647 10.953 No matches found No matches found DDA for preferred ion 2-Oxoglutaric acid HMDB0000005 C00109 TYEYBOSBBBHJIV-UHFFFAOYSA-N C5 H6 O5 146.02145 1.424 96.1 No matches found Single match found DDA for preferred ion 2-tert-Butyl-1,4-benzenediol HMDB0032062 BGNXCDMCOKJUMV-UHFFFAOYSA-N C10 H14 O2 166.0993 8.851 No matches found No matches found No MS2 2-Tetrahydrothiopheneacetic acid C11072 YNFYCBDMMKUYKX-UHFFFAOYSA-N C6 H10 O2 S 146.03998 2.461 No matches found No matches found No MS2 3, 5-Tetradecadiencarnitine HMDB0013331 IXOHTRSFILEKHO-NKBLVAAJSA-N C21 H37 N O4 367.27199 11.362 No matches found No matches found No MS2 3,5-Dihydroxybenzoic acid HMDB0013677 UYEMGAFJOZZIFP-UHFFFAOYSA-N C7 H6 O4 154.02657 8.111 88.2 No matches found Multiple matches found DDA for preferred ion 3-Carboxy-4-methyl-5-propyl-2-furanpropionate WMCQWXZMVIETAO-UHFFFAOYSA-L C12 H16 O5 240.0998 11.232 90.9 No matches found Single match found DDA for preferred ion 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid HMDB0127615 PTBDIHRZYDMNKB-UHFFFAOYSA-N C5 H10 O4 134.05789 1.6 61.7 No matches found Single match found DDA for preferred ion 3-Hydroxymethylglutaric acid HMDB0000355 C03761 NPOAOTPXWNWTSH-UHFFFAOYSA-N C6 H10 O5 162.05278 2.226 64.6 No matches found Single match found DDA for preferred ion 3-Hydroxysebacic acid HMDB0000350 OQYZCCKCJQWHIE-UHFFFAOYSA-N C10 H18 O5 218.11521 9.751 No matches found No matches found DDA for other ion 3-Hydroxytetradecanedioic acid HMDB0000394 CEDZIURHISELSQ-UHFFFAOYSA-N C14 H26 O5 274.17829 10.569 No matches found No matches found DDA for preferred ion 3-Hydroxytetradecanoyl carnitine HMDB0061640 GFAZJTUXMHGTOC-UHFFFAOYSA-N C21 H41 N O5 387.29814 11.324 No matches found No matches found No MS2 3-Mercaptohexyl butyrate HMDB0038948 TZNJKOLXWHXDAF-UHFFFAOYSA-N C10 H20 O2 S 204.11893 0.932 No matches found No matches found No MS2 3-Methylcyclohexanethiol HMDB0031537 PWHHTYJQSMSOEC-UHFFFAOYSA-N C7 H14 S 130.08217 1.421 No matches found No matches found No MS2 3-Oxotetradecanoic acid HMDB0010730 XLKOZYOVXNPWGT-UHFFFAOYSA-N C14 H26 O3 242.18822 12.827 No matches found No matches found DDA for preferred ion 3-Pyridin-3-yl-2-thiophen-2-ylprop-2-enenitrile DGMSKRCMDSDQKR-UHFFFAOYSA-N C12 H8 N2 S 212.04062 6.665 82.1 Single match found Single match found DDA for preferred ion 3-Tert-Butyladipic acid LHSCNQRBIIDZCB-UHFFFAOYSA-N C10 H18 O4 202.12051 10.534 89.6 No matches found Single match found DDA for preferred ion 4-Guanidinobutanoic acid HMDB0003464 C01035 TUHVEAJXIMEOSA-UHFFFAOYSA-N C5 H11 N3 O2 145.08504 1.436 No matches found No matches found No MS2 4-Hydroxy-5-methyl-3(2H)-thiophenone HMDB0033548 GIVVLEIYPVKDNV-UHFFFAOYSA-N C5 H6 O2 S 130.00882 0.978 No matches found No matches found No MS2 4-Hydroxybenzenesulfonic acid FEPBITJSIHRMRT-UHFFFAOYSA-N C6 H6 O4 S 173.99857 5.923 86.8 No matches found Multiple matches found DDA for preferred ion 4-Hydroxycinnamic acid HMDB0002035 C00811 NGSWKAQJJWESNS-ZZXKWVIFSA-N C9 H8 O3 164.0473 0.96 No matches found No matches found DDA for preferred ion 4-Indolecarbaldehyde JFDDFGLNZWNJTK-UHFFFAOYSA-N C9 H7 N O 145.05267 9.986 85.1 No matches found Single match found DDA for preferred ion 4-Methylene-L-glutamine C01109 CEVQXWMPODOBRM-BYPYZUCNSA-N C6 H10 N2 O3 158.06905 0.987 No matches found No matches found DDA for preferred ion 4-Oxo-L-proline C01877 HFXAFXVXPMUQCQ-BYPYZUCNSA-N C5 H7 N O3 129.04257 1.623 95.7 No matches found Single match found DDA for preferred ion 4-Trimethylammoniobutanoic acid HMDB0001161 C01181 JHPNVNIEXXLNTR-UHFFFAOYSA-N C7 H15 N O2 145.11021 0.92 No matches found No matches found No MS2 4-Vinylphenol sulfate HMDB0062775 IETVQHUKTKKBFF-UHFFFAOYSA-N C8 H8 O4 S 200.01428 10.027 No matches found No matches found DDA for preferred ion 5-[4-hydroxy-3-(sulfooxy)phenyl]pentanoic acid HMDB0127760 OUPGXCOAIUBOQD-UHFFFAOYSA-N C11 H14 O7 S 290.04631 8.47 No matches found No matches found No MS2 5-Sulfosalicylic acid HMDB0011725 C16199 YCPXWRQRBFJBPZ-UHFFFAOYSA-N C7 H6 O6 S 217.98766 5.301 No matches found No matches found No MS2 6-Hydroxypseudooxynicotine HMDB0240264 C01297 UMLOUOBDBGOHHR-UHFFFAOYSA-N C10 H14 N2 O2 194.10505 10.926 No matches found No matches found No MS2 9(S)-HPODE HMDB0006940 C14827 JGUNZIWGNMQSBM-ZJHFMPGASA-N C18 H32 O4 312.23025 12.856 67 Single match found Single match found DDA for preferred ion A-12(13)-EpODE HMDB0010200 BKKGUKSHPCTUGE-OOHFSOINSA-N C18 H30 O3 294.21953 12.738 No matches found No matches found No MS2 Acetyl tributyl citrate HMDB0034159 C00777 QZCLKYGREBVARF-UHFFFAOYSA-N C20 H34 O8 402.2257 11.027 No matches found No matches found No MS2 Acetylglycine HMDB0000532 OKJIRPAQVSHGFK-UHFFFAOYSA-N C4 H7 N O3 117.0425 0.932 No matches found No matches found DDA for preferred ion Adenosine monophosphate HMDB0000045 C00020 UDMBCSSLTHHNCD-KQYNXXCUSA-N C10 H14 N5 O7 P 347.06286 1.424 93.9 No matches found Multiple matches found DDA for preferred ion Alanylglycine HMDB0006899 CXISPYVYMQWFLE-VKHMYHEASA-N C5 H10 N2 O3 146.06907 1.088 No matches found No matches found DDA for preferred ion Allantoin HMDB0000462 C01551 POJWUDADGALRAB-UHFFFAOYSA-N C4 H6 N4 O3 158.04388 0.921 No matches found No matches found DDA for preferred ion all-trans-Retinoic acid HMDB0001852 C00777 SHGAZHPCJJPHSC-YCNIQYBTSA-N C20 H28 O2 300.20945 12.469 No matches found No matches found No MS2 Amidosulfonic acid HMDB0034830 IIACRCGMVDHOTQ-UHFFFAOYSA-N H3 N O3 S 96.9834 0.73 No matches found No matches found DDA for other ion Anethole HMDB0030837 RUVINXPYWBROJD-ARJAWSKDSA-N C10 H12 O 148.08882 10.96 No matches found No matches found No MS2 Artemether HMDB0015643 SXYIRMFQILZOAM-HVNFFKDJSA-N C16 H26 O5 298.17818 10.927 No matches found No matches found No MS2 Ascorbic acid HMDB0000044 C01041 CIWBSHSKHKDKBQ-JLAZNSOCSA-N C6 H8 O6 176.03202 1.402 89.3 No matches found Single match found DDA for preferred ion Ascorbic acid 2-sulfate HMDB0060649 XDBMXUKHMOFBPJ-ZAFYKAAXSA-N C6 H8 O9 S 255.98905 0.938 88.3 No matches found Single match found DDA for preferred ion Aspartyl-L-proline HMDB0002335 UKGGPJNBONZZCM-WDSKDSINSA-N C9 H14 N2 O5 230.09009 1.437 No matches found No matches found No MS2 Astilbin HMDB0033850 C17449 ZROGCCBNZBKLEL-MPRHSVQHSA-N C21 H22 O11 450.11668 10.167 No matches found No matches found No MS2 Avocadene 1-acetate HMDB0031043 NLBYRERHXBTBBR-UHFFFAOYSA-N C6 H4 O5 156.00583 1.53 No matches found No matches found No MS2 Azelnidipine D01145 ZKFQEACEUNWPMT-UHFFFAOYSA-N C33 H34 N4 O6 582.24788 16.69 No matches found No matches found DDA for preferred ion Bevenopran D10349 ZGCYVRNZWGUXNQ-UHFFFAOYSA-N C20 H26 N4 O4 386.19422 10.067 No matches found No matches found DDA for preferred ion Bilirubin HMDB0000054 C00486 BPYKTIZUTYGOLE-IFADSCNNSA-N C33 H36 N4 O6 584.26274 16.685 82.4 No matches found Single match found DDA for preferred ion Bisoprolol HMDB0014750 C06852 VHYCDWMUTMEGQY-UHFFFAOYSA-N C18 H31 N O4 325.2249 10.747 No matches found No matches found No MS2 Butopyronoxyl OKIJSNGRQAOIGZ-UHFFFAOYSA-N C12 H18 O4 226.12053 10.852 No matches found No matches found DDA for preferred ion Cascarillin HMDB0036836 C09071 ZOWKQQIGQBVKSV-UHFFFAOYSA-N C22 H32 O7 408.21457 11.317 No matches found No matches found No MS2 Cedefingol D03419 CRJGESKKUOMBCT-PMACEKPBSA-N C20 H41 N O3 343.30818 12.251 No matches found No matches found No MS2 Chenodeoxycholic acid HMDB0000518 C02528 RUDATBOHQWOJDD-BSWAIDMHSA-N C24 H40 O4 438.29841 11.831 83.2 Multiple matches found No matches found DDA for preferred ion Chlorpromazine HMDB0014620 C06906 ZPEIMTDSQAKGNT-UHFFFAOYSA-N C17 H19 Cl N2 S 318.09555 10.888 93.3 No matches found Multiple matches found DDA for preferred ion Cholic acid HMDB0000619 C00695 BHQCQFFYRZLCQQ-OELDTZBJSA-N C24 H40 O5 408.28784 11.728 91 Single match found Multiple matches found DDA for preferred ion Choline HMDB0000097 C00114 OEYIOHPDSNJKLS-UHFFFAOYSA-N C5 H13 N O 103.09959 0.868 88 No matches found Single match found DDA for preferred ion Ciclesonide HMDB0015480 LUKZNWIVRBCLON-FOMURGDPSA-N C32 H44 O7 540.30929 12.319 No matches found No matches found No MS2 CID 12910457 GYHHZMUNWLCUAH-UHFFFAOYSA-N C12 H9 N S 199.04542 10.644 No matches found No matches found DDA for preferred ion CID 134693179 KYBOHGVERHWSSV-QSBRPZMVSA-N C23 H38 O5 394.27231 11.288 No matches found No matches found DDA for preferred ion Cinnamoylglycine HMDB0011621 YAADMLWHGMUGQL-VOTSOKGWSA-N C11 H11 N O3 205.0738 9.989 90.3 Single match found Multiple matches found DDA for preferred ion cis-4-Decenedioic acid HMDB0000603 CXGDCGIPEJKSCK-IWQZZHSRSA-N C10 H16 O4 200.10486 10.346 No matches found No matches found DDA for preferred ion cis-5-Tetradecenoylcarnitine HMDB0002014 NNCBVXBBLABOCB-SEYXRHQNSA-N C21 H39 N O4 369.28765 11.604 No matches found No matches found DDA for preferred ion Citric acid HMDB0000094 C00158 KRKNYBCHXYNGOX-UHFFFAOYSA-N C6 H8 O7 192.02698 1.526 96.7 Single match found Multiple matches found DDA for preferred ion Citrulline HMDB0000904 C00327 RHGKLRLOHDJJDR-UHFFFAOYSA-N C6 H13 N3 O3 175.09564 0.888 No matches found No matches found DDA for other ion Clozapine HMDB0014507 C06924 QZUDBNBUXVUHMW-UHFFFAOYSA-N C18 H19 Cl N4 326.1295 10.063 89.1 No matches found Single match found DDA for preferred ion Clozapine N-oxide HMDB0060900 OGUCZBIQSYYWEF-UHFFFAOYSA-N C18 H19 Cl N4 O 342.12438 10.24 92.7 No matches found Single match found DDA for preferred ion Creatine HMDB0000064 C00300 CVSVTCORWBXHQV-UHFFFAOYSA-N C4 H9 N3 O2 131.06938 0.918 92.2 No matches found Single match found DDA for preferred ion Creatinine HMDB0000562 C00791 DDRJAANPRJIHGJ-UHFFFAOYSA-N C4 H7 N3 O 113.05884 0.886 No matches found No matches found No MS2 Cytosine HMDB0000630 C00380 OPTASPLRGRRNAP-UHFFFAOYSA-N C4 H5 N3 O 111.04352 1.419 No matches found No matches found No MS2 D-Xylonic acid HMDB0059750 C00502 QXKAIJAYHKCRRA-FLRLBIABSA-N C5 H10 O6 166.04766 0.91 No matches found No matches found DDA for preferred ion dacisteine HSPYGHDTVQJUDE-LURJTMIESA-N C7 H11 N O4 S 205.04069 1.79 No matches found No matches found DDA for preferred ion Daidzein HMDB0003312 C10208 ZQSIJRDFPHDXIC-UHFFFAOYSA-N C15 H10 O4 254.05791 10.471 84 No matches found Multiple matches found DDA for preferred ion Deoxyuridine HMDB0000012 C00526 MXHRCPNRJAMMIM-SHYZEUOFSA-N C9 H12 N2 O5 228.07484 2.611 No matches found No matches found DDA for other ion D-Glucuronic acid HMDB0000127 C00191 AEMOLEFTQBMNLQ-WAXACMCWSA-N C6 H10 O7 194.04261 0.892 No matches found No matches found No MS2 DIBOA-Glc HMDB0033734 OUSLYTBGQGKTME-UHFFFAOYSA-N C14 H17 N O9 343.09056 7.255 No matches found No matches found No MS2 Dibutyl malate HMDB0031696 PDSCSYLDRHAHOX-UHFFFAOYSA-N C12 H22 O5 246.14664 10.358 No matches found No matches found No MS2 Dibutyl phthalate HMDB0033244 C14214 DOIRQSBPFJWKBE-UHFFFAOYSA-N C16 H22 O4 278.15183 12.117 No matches found No matches found DDA for preferred ion Diethyl pyrocarbonate HMDB0032873 C11592 FFYPMLJYZAEMQB-UHFFFAOYSA-N C6 H10 O5 162.05266 0.905 No matches found No matches found DDA for preferred ion Dihexyverine D07821 MNSQDVCVWNXBFQ-UHFFFAOYSA-N C20 H35 N O2 321.26631 13.334 No matches found No matches found No MS2 Dihydromethysticin HMDB0030791 C09926 RSIWXFIBHXYNFM-UHFFFAOYSA-N C15 H16 O5 276.10008 10.741 No matches found No matches found No MS2 Dihydroroseoside HMDB0040614 QFTPTUOKFIIFJH-AATRIKPKSA-N C19 H32 O8 388.21003 10.481 60.2 No matches found Single match found DDA for preferred ion Diphenol glucuronide HMDB0059998 ICPYZFZFSLTYID-GPTQDWHKSA-N C12 H14 O8 286.06902 2.008 No matches found No matches found No MS2 DL-Glutamate HMDB0060475 C00302 WHUUTDBJXJRKMK-UHFFFAOYSA-N C5 H9 N O4 147.05305 1.403 No matches found No matches found No MS2 D-Mannose HMDB0000169 C00936 WQZGKKKJIJFFOK-PQMKYFCFSA-N C6 H12 O6 180.06346 0.893 90.1 Multiple matches found Multiple matches found DDA for preferred ion Docosahexaenoic acid HMDB0002183 C06429 MBMBGCFOFBJSGT-KUBAVDMBSA-N C22 H32 O2 328.24034 14.245 89.5 Single match found Single match found DDA for preferred ion Dodecanedioic acid HMDB0000623 C02678 TVIDDXQYHWJXFK-UHFFFAOYSA-N C12 H22 O4 230.1517 11.235 91.8 No matches found Single match found DDA for preferred ion Dolichol phosphate HMDB0006353 C00110 DZHSRPJGCZHWOM-NTEUORMPSA-N C25 H45 O4 P 440.30388 12.409 No matches found No matches found No MS2 D-Phenyllactic acid HMDB0000563 VOXXWSYKYCBWHO-UHFFFAOYSA-N C9 H10 O3 166.06286 9.223 92.7 No matches found Multiple matches found DDA for preferred ion D-Proline HMDB0003411 C00763 ONIBWKKTOPOVIA-SCSAIBSYSA-N C5 H9 N O2 115.06326 0.932 92.9 No matches found Multiple matches found DDA for preferred ion Ecgonine HMDB0006548 C10858 PHMBVCPLDPDESM-RLXKETGRSA-N C9 H15 N O3 185.10514 9.896 No matches found No matches found DDA for preferred ion Ectoine HMDB0240650 C06231 WQXNXVUDBPYKBA-YFKPBYRVSA-N C6 H10 N2 O2 142.0742 0.935 Single match found No matches found DDA for other ion Enviradene D04010 BFPYUXIFGJJYHU-AYSLTRBKSA-N C19 H21 N3 O2 S 355.13496 9.531 No matches found No matches found DDA for preferred ion Ethyl glucuronide HMDB0010325 IWJBVMJWSPZNJH-UQGZVRACSA-N C8 H14 O7 222.07386 5.165 No matches found No matches found DDA for preferred ion Ethyl vanillin isobutyrate HMDB0037683 BTCQMCOBMIXUCG-UHFFFAOYSA-N C13 H16 O4 236.10481 10.822 No matches found No matches found No MS2 Fagomine HMDB0033453 C10144 YZNNBIPIQWYLDM-HSUXUTPPSA-N C6 H13 N O3 147.08954 1.421 No matches found No matches found DDA for other ion Fenethazine HMDB0240228 PFAXACNYGZVKMX-UHFFFAOYSA-N C16 H18 N2 S 270.11882 10.414 No matches found No matches found DDA for preferred ion Floionolic acid HMDB0034295 C19621 OISFHODBOQNZAG-UHFFFAOYSA-N C18 H36 O5 332.25662 11.001 No matches found No matches found No MS2 Formiminoglutamic acid HMDB0000854 C00439 NRXIKWMTVXPVEF-BYPYZUCNSA-N C6 H10 N2 O4 174.06398 1.585 No matches found No matches found DDA for preferred ion Fumaric acid HMDB0000134 C00122 VZCYOOQTPOCHFL-OWOJBTEDSA-N C4 H4 O4 116.01088 1.803 93.3 No matches found Multiple matches found DDA for preferred ion Galactitol HMDB0000107 C01697 FBPFZTCFMRRESA-UHFFFAOYSA-N C6 H14 O6 182.07882 0.89 No matches found No matches found DDA for preferred ion Genistein HMDB0003217 C06563 TZBJGXHYKVUXJN-UHFFFAOYSA-N C15 H10 O5 270.05303 10.965 76.4 Single match found Multiple matches found DDA for preferred ion Gluconic acid HMDB0000625 C00257 RGHNJXZEOKUKBD-SQOUGZDYSA-N C6 H12 O7 196.05826 0.888 70.6 No matches found Multiple matches found DDA for preferred ion Glu-Gly HMDB0028819 LSPKYLAFTPBWIL-BYPYZUCNSA-N C7 H12 N2 O5 204.07446 0.92 No matches found No matches found No MS2 Glutamylglutamic acid HMDB0028818 C01425 KOSRFJWDECSPRO-WDSKDSINSA-N C10 H16 N2 O7 276.09553 1.403 No matches found No matches found No MS2 Glutamylmethionine HMDB0028825 SXGAGTVDWKQYCX-BQBZGAKWSA-N C10 H18 N2 O5 S 278.09351 4.012 No matches found No matches found DDA for preferred ion Glutamylserine HMDB0028828 UQHGAYSULGRWRG-WHFBIAKZSA-N C8 H14 N2 O6 234.08527 0.935 No matches found No matches found DDA for other ion Glutamylthreonine HMDB0028829 JSIQVRIXMINMTA-ZDLURKLDSA-N C9 H16 N2 O6 248.10059 1.351 No matches found No matches found No MS2 Glutaric acid HMDB0000661 C00489 JFCQEDHGNNZCLN-UHFFFAOYSA-N C5 H8 O4 132.04246 1.426 No matches found No matches found No MS2 Glycerol HMDB0000131 C00116 PEDCQBHIVMGVHV-UHFFFAOYSA-N C3 H8 O3 92.04727 0.938 No matches found No matches found DDA for other ion Glycerol tributanoate HMDB0031094 C13870 UYXTWWCETRIEDR-UHFFFAOYSA-N C15 H26 O6 302.17304 10.325 No matches found No matches found No MS2 Glycocholic acid HMDB0000138 C01921 RFDAIACWWDREDC-FRVQLJSFSA-N C26 H43 N O6 465.30898 11.711 No matches found No matches found No MS2 Glycyl-L-leucine HMDB0000759 C02155 DKEXFJVMVGETOO-LURJTMIESA-N C8 H16 N2 O3 188.11601 1.426 No matches found No matches found No MS2 Glycylproline HMDB0000721 KZNQNBZMBZJQJO-YFKPBYRVSA-N C7 H12 N2 O3 172.08473 1.422 No matches found No matches found No MS2 Hexadecanedioic acid HMDB0000672 C19615 QQHJDPROMQRDLA-UHFFFAOYSA-N C16 H30 O4 286.21451 12.576 95.7 Single match found Single match found DDA for preferred ion Hexanamide ALBYIUDWACNRRB-UHFFFAOYSA-N C6 H13 N O 115.09964 0.918 No matches found No matches found No MS2 Hexanoylglycine HMDB0000701 UPCKIPHSXMXJOX-UHFFFAOYSA-N C8 H15 N O3 173.10518 9.391 91.3 No matches found Single match found DDA for preferred ion Hippuric acid HMDB0000714 C01586 QIAFMBKCNZACKA-UHFFFAOYSA-N C9 H9 N O3 179.0582 7.288 88.4 No matches found Multiple matches found DDA for preferred ion Histamine HMDB0000870 C00388 NTYJJOPFIAHURM-UHFFFAOYSA-N C5 H9 N3 111.07952 0.736 94.4 No matches found Single match found DDA for preferred ion Hypoxanthine HMDB0000157 C00262 FDGQSTZJBFJUBT-UHFFFAOYSA-N C5 H4 N4 O 136.03842 0.956 95.5 No matches found Multiple matches found DDA for preferred ion Indole HMDB0000738 C00463 SIKJAQJRHWYJAI-UHFFFAOYSA-N C8 H7 N 117.05774 7.29 No matches found No matches found DDA for preferred ion Indoleacrylic acid HMDB0000734 PLVPPLCLBIEYEA-AATRIKPKSA-N C11 H9 N O2 187.06323 9.745 88.4 No matches found Multiple matches found DDA for preferred ion Indolelactic acid HMDB0000671 C02043 XGILAAMKEQUXLS-JTQLQIEISA-N C11 H11 N O3 205.07378 9.693 91.6 No matches found Multiple matches found DDA for preferred ion Indoxyl sulfate HMDB0000682 BXFFHSIDQOFMLE-UHFFFAOYSA-N C8 H7 N O4 S 213.00958 6.979 93.9 No matches found Multiple matches found DDA for preferred ion Isobutyrylglycine HMDB0000730 DCICDMMXFIELDF-UHFFFAOYSA-N C6 H11 N O3 145.07382 4.13 88.4 No matches found Single match found DDA for preferred ion Itaconic acid HMDB0002092 C00490 LVHBHZANLOWSRM-UHFFFAOYSA-N C5 H6 O4 130.02654 0.94 No matches found No matches found DDA for preferred ion Kyotorphin HMDB0005768 C02993 JXNRXNCCROJZFB-RYUDHWBXSA-N C15 H23 N5 O4 337.1733 8.263 No matches found No matches found No MS2 L-Acetylcarnitine HMDB0000201 C02571 RDHQFKQIGNGIED-MRVPVSSYSA-N C9 H17 N O4 203.11564 1.423 95.4 No matches found Single match found DDA for preferred ion L-Arginine HMDB0000517 C00062 ODKSFYDXXFIFQN-UHFFFAOYSA-N C6 H14 N4 O2 174.11162 0.867 96.2 Single match found Multiple matches found DDA for preferred ion L-Asparagine HMDB0000168 C00152 DCXYFEDJOCDNAF-REOHCLBHSA-N C4 H8 N2 O3 132.05342 0.932 No matches found No matches found DDA for preferred ion L-Carnitine HMDB0000062 PHIQHXFUZVPYII-ZCFIWIBFSA-N C7 H15 N O3 161.10506 0.886 96.1 No matches found Multiple matches found DDA for preferred ion Leucyl-Glutamate HMDB0028928 NFNVDJGXRFEYTK-UHFFFAOYSA-N C11 H20 N2 O5 260.13706 5.911 No matches found No matches found DDA for preferred ion Leucylproline HMDB0011175 VTJUNIYRYIAIHF-IUCAKERBSA-N C11 H20 N2 O3 228.1473 6.184 No matches found No matches found No MS2 Levulinic acid HMDB0000720 JOOXCMJARBKPKM-UHFFFAOYSA-N C5 H8 O3 116.04731 7.699 No matches found No matches found No MS2 L-Glutamine HMDB0000641 C00064 ZDXPYRJPNDTMRX-VKHMYHEASA-N C5 H10 N2 O3 146.06906 0.874 86.6 No matches found Multiple matches found DDA for preferred ion L-Histidine HMDB0000177 C00135 HNDVDQJCIGZPNO-YFKPBYRVSA-N C6 H9 N3 O2 155.06943 0.832 No matches found No matches found No MS2 L-Lysine HMDB0000182 C00047 KDXKERNSBIXSRK-YFKPBYRVSA-N C6 H14 N2 O2 146.10547 0.755 90.1 No matches found Multiple matches found DDA for preferred ion L-Methionine HMDB0000696 C00073 FFEARJCKVFRZRR-BYPYZUCNSA-N C5 H11 N O2 S 149.05098 1.43 96.2 No matches found Multiple matches found DDA for preferred ion Lopinavir HMDB0015539 C12871 KJHKTHWMRKYKJE-SUGCFTRWSA-N C37 H48 N4 O5 628.36125 12.584 No matches found No matches found No MS2 Loxoprofen HMDB0041920 D08149 YMBXTVYHTMGZDW-UHFFFAOYSA-N C15 H18 O3 246.12541 11.924 No matches found No matches found No MS2 L-Phenylalanine HMDB0000159 C00079 COLNVLDHVKWLRT-QMMMGPOBSA-N C9 H11 N O2 165.07892 9.427 No matches found No matches found No MS2 L-Prolinamide C19781 VLJNHYLEOZPXFW-BYPYZUCNSA-N C5 H10 N2 O 114.07921 0.762 No matches found No matches found DDA for preferred ion L-Serine HMDB0000187 C00065 MTCFGRXMJLQNBG-REOHCLBHSA-N C3 H7 N O3 105.0425 0.877 No matches found No matches found DDA for other ion L-Threonine HMDB0000167 C00188 AYFVYJQAPQTCCC-GBXIJSLDSA-N C4 H9 N O3 119.05813 0.877 No matches found No matches found DDA for other ion L-Tyrosine HMDB0000158 C00082 OUYCCCASQSFEME-QMMMGPOBSA-N C9 H11 N O3 181.07386 0.967 91.2 No matches found Multiple matches found DDA for preferred ion Lunacalcipol D09928 RFQHCLMGLJGZNV-UXXOMSPDSA-N C28 H42 O4 S 474.28066 10.924 No matches found No matches found No MS2 Lusitanicoside HMDB0034120 C10474 DAELTTGCCPRYTP-UHFFFAOYSA-N C21 H30 O10 442.18425 10.417 No matches found No matches found No MS2 L-Valine HMDB0000883 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N C5 H11 N O2 117.07885 0.926 93.9 No matches found Multiple matches found DDA for preferred ion LysoPC(0:0/18:1(9Z)) HMDB0062651 SULIDBRAXVDKBU-PTGWMXDISA-N C26 H52 N O7 P 521.3479 13.017 No matches found No matches found DDA for preferred ion LysoPC(16:1(9Z)/0:0) HMDB0010383 C04230 LFUDDCMNKWEORN-ZXEGGCGDSA-N C24 H48 N O7 P 493.31663 12.438 No matches found No matches found DDA for preferred ion LysoPC(18:2(9Z,12Z)/0:0) HMDB0010386 SPJFYYJXNPEZDW-FTJOPAKQSA-N C26 H50 N O7 P 519.3322 12.668 No matches found No matches found DDA for preferred ion LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0) HMDB0010397 C04230 PDIGSOAOQOXRDU-WJPZTBRDSA-N C28 H48 N O7 P 541.31669 12.317 No matches found No matches found DDA for preferred ion LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0) HMDB0010403 C04230 BIEOSECQPGGZMF-NAIWXXGBSA-N C30 H52 N O7 P 569.34774 13.003 No matches found No matches found DDA for preferred ion LysoPC(P-16:0/0:0) HMDB0010407 HTZINLFNXLXRBC-CQLBIITFSA-N C24 H50 N O6 P 479.33709 13.174 No matches found No matches found DDA for preferred ion LysoPC(P-18:0/0:0) HMDB0013122 WBOMIOWRFSPZMC-AYICAFKVSA-N C26 H54 N O6 P 507.36864 13.406 No matches found No matches found DDA for preferred ion LysoPE(18:1(9Z)/0:0) HMDB0011506 PYVRVRFVLRNJLY-MZMPXXGTSA-N C23 H46 N O7 P 479.30112 13.098 No matches found No matches found DDA for preferred ion LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0) HMDB0011517 ROPRRXYVXLDXQO-XSQXPFHXSA-N C25 H44 N O7 P 501.28565 12.636 No matches found No matches found DDA for preferred ion Menadiol C07126 ZJTLZYDQJHKRMQ-UHFFFAOYSA-N C11 H10 O2 174.06803 10.922 No matches found No matches found No MS2 Menadione HMDB0001892 C05377 MJVAVZPDRWSRRC-UHFFFAOYSA-N C11 H8 O2 172.05238 10.767 No matches found No matches found No MS2 Meprobamate HMDB0014515 NPPQSCRMBWNHMW-UHFFFAOYSA-N C9 H18 N2 O4 218.12654 1.432 No matches found No matches found No MS2 Methacholine HMDB0015654 C07471 NZWOPGCLSHLLPA-UHFFFAOYSA-N C8 H17 N O2 159.12582 1.417 87.3 No matches found Single match found DDA for preferred ion Methyl 3-(2,3-dihydroxy-3-methylbutyl)-4-hydroxybenzoate HMDB0032796 ABFHVQPVDSMGNR-UHFFFAOYSA-N C13 H18 O5 254.11553 10.891 Multiple matches found No matches found DDA for preferred ion Methyl jasmonate HMDB0036583 C11512 GEWDNTWNSAZUDX-WQMVXFAESA-N C13 H20 O3 224.14105 11.827 No matches found No matches found No MS2 Mexiletine HMDB0014523 C07220 VLPIATFUUWWMKC-UHFFFAOYSA-N C11 H17 N O 179.13105 11.45 No matches found No matches found No MS2 Minaprine HMDB0014943 LDMWSLGGVTVJPG-UHFFFAOYSA-N C17 H22 N4 O 298.17815 11.782 No matches found No matches found No MS2 Muscimol C08311 ZJQHPWUVQPJPQT-UHFFFAOYSA-N C4 H6 N2 O2 114.04284 0.928 No matches found No matches found DDA for preferred ion N1-Acetylspermidine HMDB0001276 C00612 MQTAVJHICJWXBR-UHFFFAOYSA-N C9 H21 N3 O 187.16847 0.822 No matches found No matches found No MS2 N2-Acetylornithine HMDB0003357 C00437 JRLGPAXAGHMNOL-LURJTMIESA-N C7 H14 N2 O3 174.10041 0.945 Single match found No matches found DDA for preferred ion N-a-Acetyl-L-arginine HMDB0004620 SNEIUMQYRCDYCH-LURJTMIESA-N C8 H16 N4 O3 216.12209 0.916 No matches found No matches found No MS2 Nabilone HMDB0014629 GECBBEABIDMGGL-RTBURBONSA-N C24 H36 O3 372.26611 11.727 No matches found No matches found No MS2 N-Acetylglutamine HMDB0006029 KSMRODHGGIIXDV-YFKPBYRVSA-N C7 H12 N2 O4 188.07963 1.421 No matches found No matches found No MS2 N-Acetyl-L-alanine HMDB0000766 KTHDTJVBEPMMGL-VKHMYHEASA-N C5 H9 N O3 131.05818 2.068 61.7 No matches found Single match found DDA for preferred ion N-Acetyl-L-phenylalanine HMDB0000512 C03519 CBQJSKKFNMDLON-JTQLQIEISA-N C11 H13 N O3 207.08945 9.443 94.2 Single match found Single match found DDA for preferred ion N-Acetyl-L-tyrosine HMDB0000866 C01657 CAHKINHBCWCHCF-JTQLQIEISA-N C11 H13 N O4 223.08437 6.343 95.8 Single match found Single match found DDA for preferred ion N-Acetylserine HMDB0002931 JJIHLJJYMXLCOY-BYPYZUCNSA-N C5 H9 N O4 147.05306 0.886 No matches found No matches found DDA for preferred ion N-Acetyltaurine HMDB0240253 CXJAAWRLVGAKDV-UHFFFAOYSA-N C4 H9 N O4 S 167.02523 0.951 No matches found No matches found No MS2 N-gamma-Glutamylglutamine HMDB0029147 FCWNOQOVMGNKNG-WDSKDSINSA-N C10 H17 N3 O6 275.1115 0.93 No matches found No matches found No MS2 Nicotinic acid HMDB0001488 C00253 PVNIIMVLHYAWGP-UHFFFAOYSA-N C6 H5 N O2 123.03197 1.433 96.1 No matches found Multiple matches found DDA for preferred ion N-Isovalerylglycine HMDB0000678 DCICDMMXFIELDF-UHFFFAOYSA-N C7 H13 N O3 159.08944 6.235 84.6 No matches found Multiple matches found DDA for preferred ion N-Stearoyl tyrosine HMDB0062343 YKWCFTGLODSOSB-VWLOTQADSA-N C27 H45 N O4 447.33455 12.087 No matches found No matches found No MS2 Octadecanamide HMDB0034146 C13846 LYRFLYHAGKPMFH-UHFFFAOYSA-N C18 H37 N O 283.28725 11.772 No matches found No matches found No MS2 Octanoylglucuronide HMDB0010347 C03033 ASFORWUCPCKFPY-BYNIDDHOSA-N C14 H24 O8 320.14694 10.302 No matches found No matches found DDA for preferred ion Olanzapine HMDB0005012 C07322 KVWDHTXUZHCGIO-UHFFFAOYSA-N C17 H20 N4 S 312.14057 6.67 90.9 No matches found Single match found DDA for preferred ion Oleamide HMDB0002117 C19670 FATBGEAMYMYZAF-KTKRTIGZSA-N C18 H35 N O 264.24501 14.558 95.7 Single match found Single match found DDA for other ion Oleandolide C11990 PFDLUBNRHMFBGI-HRVFELILSA-N C20 H34 O7 386.23067 12.128 No matches found No matches found DDA for preferred ion Oleic acid HMDB0000207 C00712 ZQPPMHVWECSIRJ-KTKRTIGZSA-N C18 H34 O2 282.25598 12.294 No matches found No matches found DDA for preferred ion Oleoylethanolamide HMDB0002088 C20 H39 N O2 331.30834 11.802 71.8 No matches found Single match found DDA for preferred ion Ophthalmic acid HMDB0005765 JCMUOFQHZLPHQP-BQBZGAKWSA-N C11 H19 N3 O6 289.12715 1.59 No matches found No matches found No MS2 Oxidized glutathione HMDB0003337 C00127 YPZRWBKMTBYPTK-BJDJZHNGSA-N C20 H32 N6 O12 S2 612.15149 1.932 76.4 No matches found Single match found DDA for preferred ion Oxoadipic acid HMDB0000225 C00322 FGSBNBBHOZHUBO-UHFFFAOYSA-N C6 H8 O5 160.03711 1.741 No matches found No matches found No MS2 Oxoglutaric acid HMDB0000208 C00026 KPGXRSRHYNQIFN-UHFFFAOYSA-N C5 H6 O5 146.02148 1.526 No matches found No matches found No MS2 Oxybuprocaine HMDB0015029 CMHHMUWAYWTMGS-UHFFFAOYSA-N C17 H28 N2 O3 308.21004 11.974 No matches found No matches found No MS2 Palmitic acid HMDB0000220 C00249 IPCSVZSSVZVIGE-UHFFFAOYSA-N C16 H32 O2 273.26646 11.137 74.5 Single match found No matches found DDA for preferred ion Palmitic amide HMDB0012273 HSEMFIZWXHQJAE-UHFFFAOYSA-N C16 H33 N O 255.25594 11.374 No matches found No matches found No MS2 Palmitoleic acid HMDB0003229 C08362 SECPZKHBENQXJG-FPLPWBNLSA-N C16 H30 O2 254.22449 14.37 89.2 Single match found Multiple matches found DDA for preferred ion Palmitoylethanolamide HMDB0002100 C16512 HXYVTAGFYLMHSO-UHFFFAOYSA-N C18 H37 N O2 299.28217 11.258 77.1 No matches found Single match found DDA for preferred ion Paraldehyde HMDB0032456 C07834 SQYNKIJPMDEDEG-UHFFFAOYSA-N C6 H12 O3 132.07851 6.094 No matches found No matches found No MS2 Paucine HMDB0029876 C03002 KTZNZCYTXQYEHT-XQRVVYSFSA-N C23 H32 O10 468.19974 10.918 No matches found No matches found DDA for preferred ion PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) HMDB0009012 XYYHNDVKALDFHQ-OXHZBIAZSA-N C45 H78 N O8 P 791.55026 13.447 No matches found No matches found No MS2 Pentamidine HMDB0014876 C07420 XDRYMKDFEDOLFX-UHFFFAOYSA-N C19 H24 N4 O2 340.18881 10.967 No matches found No matches found DDA for other ion Phenylacetaldehyde HMDB0006236 C00601 DTUQWGWMVIHBKE-UHFFFAOYSA-N C8 H8 O 120.05739 9.215 77.8 No matches found Single match found DDA for preferred ion Phenylacetylglycine HMDB0000821 C05598 UTYVDVLMYQPLQB-UHFFFAOYSA-N C10 H11 N O3 193.0739 8.193 90.8 No matches found Multiple matches found DDA for preferred ion Phenylhydrazine C02304 HKOOXMFOFWEVGF-UHFFFAOYSA-N C6 H8 N2 108.0687 0.742 No matches found No matches found No MS2 Phosphoric acid HMDB0002142 C00009 NBIIXXVUZAFLBC-UHFFFAOYSA-N H3 O4 P 97.97679 0.962 No matches found No matches found DDA for preferred ion Picrocrocin HMDB0005796 WMHJCSAICLADIN-VKSCUUAMSA-N C16 H26 O7 330.16796 10.718 No matches found No matches found DDA for preferred ion Pimilprost D01188 SLDLSMFNGFIPNI-RXYUHBJGSA-N C23 H40 O5 396.28719 13.755 Single match found No matches found DDA for other ion Pipazethate HMDB0015686 DTVJXCOMJLLMAK-UHFFFAOYSA-N C21 H25 N3 O3 S 399.1614 9.616 No matches found No matches found DDA for preferred ion Pipecolic acid HMDB0000070 C00408 HXEACLLIILLPRG-UHFFFAOYSA-N C6 H11 N O2 129.079 1.425 63.4 No matches found Multiple matches found DDA for preferred ion Pivagabine D07342 SRPNQDXRVRCTNK-UHFFFAOYSA-N C9 H17 N O3 187.12083 10.242 No matches found No matches found DDA for preferred ion Platelet-activating factor HMDB0062195 HVAUUPRFYPCOCA-AREMUKBSSA-N C26 H54 N O7 P 523.36352 13.826 No matches found No matches found DDA for preferred ion Plazomicin YDYFVUFSPQPPV-PEXOCOHZSA-N C25 H48 N6 O10 592.34355 11.074 No matches found No matches found No MS2 Pregabalin HMDB0014375 AYXYPKUFHZROOJ-ZETCQYMHSA-N C8 H17 N O2 159.12583 0.935 No matches found No matches found No MS2 Probucol HMDB0015537 C07373 FYPMFJGVHOHGLL-UHFFFAOYSA-N C31 H48 O2 S2 516.30947 11.194 No matches found No matches found No MS2 Prohydrojasmon C18538 IPDFPNNPBMREIF-CHWSQXEVSA-N C15 H26 O3 254.18821 12.795 No matches found No matches found DDA for preferred ion Proline HMDB0000162 C00148 ONIBWKKTOPOVIA-BYPYZUCNSA-N C5 H9 N O2 115.06322 0.759 No matches found No matches found No MS2 Proline betaine HMDB0004827 C10172 CMUNUTVVOOHQPW-LURJTMIESA-N C7 H13 N O2 143.09454 7.161 No matches found No matches found No MS2 Promazine 5-sulfoxide HMDB0013938 KSHDHDWHIWBNHA-UHFFFAOYSA-N C17 H20 N2 O S 300.12927 10.604 No matches found No matches found No MS2 Promethazine sulfoxide OWTCLFIFAFHQIX-UHFFFAOYSA-N C17 H20 N2 O S 300.12929 9.406 93 No matches found Multiple matches found DDA for preferred ion Propionylcarnitine HMDB0000824 UFAHZIUFPNSHSL-MRVPVSSYSA-N C10 H19 N O4 217.13124 9.878 No matches found No matches found DDA for preferred ion Propofol HMDB0014956 OLBCVFGFOZPWHH-UHFFFAOYSA-N C12 H18 O 178.13559 10.761 No matches found No matches found No MS2 Prostaglandin G2 2-glyceryl Ester HMDB0062591 CSMKZOGJSGGURC-PKBBWAGBSA-N C23 H38 O8 442.25679 12.041 No matches found Single match found DDA for preferred ion Protodioscin HMDB0034062 C08907 LVTJOONKWUXEFR-UHFFFAOYSA-N C51 H84 O22 1048.54599 11.888 No matches found No matches found No MS2 PS(16:0/16:1(9Z)) HMDB0012355 SQYNOJCBJMSMAA-DPQCVDONSA-N C38 H72 N O10 P 733.49003 12.437 No matches found No matches found No MS2 Purine HMDB0001366 C15587 KDCGOANMDULRCW-UHFFFAOYSA-N C5 H4 N4 120.04219 0.965 62.6 No matches found Single match found DDA for preferred ion Putrescine HMDB0001414 C00134 KIDHWZJUCRJVML-UHFFFAOYSA-N C4 H12 N2 88.09993 0.73 No matches found No matches found No MS2 Pyrogallol C01108 WQGWDDDVZFFDIG-UHFFFAOYSA-N C6 H6 O3 126.03165 0.888 No matches found No matches found No MS2 Pyrogallol-2-O-sulphate HMDB0060018 XADBYTWTQXSBAF-UHFFFAOYSA-N C6 H6 O6 S 205.98848 4.399 No matches found No matches found DDA for preferred ion Quercitrin HMDB0033751 C01750 OXGUCUVFOIWWQJ-HQBVPOQASA-N C21 H20 O11 448.10124 9.959 No matches found No matches found No MS2 Quetiapine HMDB0005021 C07397 URKOMYMAXPYINW-UHFFFAOYSA-N C21 H25 N3 O2 S 383.16636 10.197 92 No matches found Single match found DDA for preferred ion Ribothymidine HMDB0000884 DWRXFEITVBNRMK-JXOAFFINSA-N C10 H14 N2 O6 258.08499 0.935 No matches found No matches found No MS2 Ribulose-5-phosphate C00199 FNZLKVNUWIIPSJ-UHNVWZDZSA-N C5 H11 O8 P 230.01873 0.931 No matches found No matches found No MS2 Risperidone HMDB0005020 C06861 RAPZEAPATHNIPO-UHFFFAOYSA-N C23 H27 F N4 O2 410.21288 9.574 No matches found No matches found DDA for preferred ion S-2-Propenyl propanethioate HMDB0037493 GKRISGLFPMFKSX-UHFFFAOYSA-N C6 H10 O S 130.04587 0.855 No matches found No matches found No MS2 Salbutamol HMDB0001937 C11770 NDAUXUAQIAJITI-UHFFFAOYSA-N C13 H21 N O3 239.15217 11.453 No matches found No matches found DDA for preferred ion Salicylic acid HMDB0001895 C00805 YGSDEFSMJLZEOE-UHFFFAOYSA-N C7 H6 O3 138.03164 10.164 70.8 No matches found Multiple matches found DDA for preferred ion Salicyluric acid HMDB0000840 C07588 ONJSZLXSECQROL-UHFFFAOYSA-N C9 H9 N O4 195.05305 5.346 89.1 No matches found Single match found DDA for preferred ion S-Allylcysteine HMDB0034323 ZFAHNWWNDFHPOH-UHFFFAOYSA-N C6 H11 N O2 S 161.05088 2.71 No matches found No matches found No MS2 Secobarbital HMDB0014562 KQPKPCNLIDLUMF-UHFFFAOYSA-N C12 H18 N2 O3 238.13105 11.747 No matches found No matches found No MS2 Secoisolariciresinol HMDB0013692 C18167 PUETUDUXMCLALY-HOTGVXAUSA-N C20 H26 O6 362.17265 11.699 No matches found No matches found No MS2 Sorbitan laurate HMDB0029885 LWZFANDGMFTDAV-UHFFFAOYSA-N C18 H34 O6 346.23557 10.905 No matches found No matches found DDA for preferred ion Soyasaponin I HMDB0034649 C08983 PTDAHAWQAGSZDD-IOVCITQVSA-N C48 H78 O18 942.51476 11.1 No matches found No matches found No MS2 Spermidine HMDB0001257 C00315 ATHGHQPFGPMSJY-UHFFFAOYSA-N C7 H19 N3 128.13124 0.729 75.1 No matches found Single match found DDA for other ion Sphinganine 1-phosphate HMDB0001383 C01120 YHEDRJPUIRMZMP-ZWKOTPCHSA-N C18 H40 N O5 P 381.26436 12.296 No matches found No matches found DDA for preferred ion Sphingosine 1-phosphate HMDB0000277 C06124 DUYSYHSSBDVJSM-KRWOKUGFSA-N C18 H38 N O5 P 379.2487 12.148 87.2 No matches found Single match found DDA for preferred ion Stearoylcarnitine HMDB0000848 FNPHNLNTJNMAEE-HSZRJFAPSA-N C25 H49 N O4 427.3658 12.568 No matches found No matches found DDA for preferred ion Succinic acid HMDB0000254 C00042 KDYFGRWQOYBRFD-UHFFFAOYSA-N C4 H6 O4 118.02653 1.939 91.6 No matches found Multiple matches found DDA for preferred ion Succinic anhydride HMDB0032523 C19524 RINCXYDBBGOEEQ-UHFFFAOYSA-N C4 H4 O3 100.016 1.863 No matches found No matches found No MS2 Sucrose HMDB0000258 C00089 CZMRCDWAGMRECN-UGDNZRGBSA-N C12 H22 O11 342.11599 0.908 No matches found No matches found No MS2 Sulfoglycolithocholate(2-) HMDB0062801 FHXBAFXQVZOILS-UHFFFAOYSA-N C26 H43 N O7 S 513.27641 10.797 No matches found No matches found DDA for preferred ion Suprofen HMDB0015008 C07320 MDKGKXOCJGEUJW-UHFFFAOYSA-N C14 H12 O3 S 260.05054 1.5 No matches found No matches found No MS2 Taurine HMDB0000251 C00245 XOAAWQZATWQOTB-UHFFFAOYSA-N C2 H7 N O3 S 125.01455 0.875 88.2 No matches found Single match found DDA for preferred ion Tentoxin C08441 SIIRBDOFKDACOK-LFXZBHHUSA-N C22 H30 N4 O4 414.22522 11.778 No matches found No matches found No MS2 Tetraacetylethylenediamine HMDB0040573 BGRWYDHXPHLNKA-UHFFFAOYSA-N C10 H16 N2 O4 228.11087 1.357 No matches found No matches found No MS2 Tetradecanedioic acid HMDB0000872 HQHCYKULIHKCEB-UHFFFAOYSA-N C14 H26 O4 258.18327 11.94 90.5 No matches found Single match found DDA for preferred ion Tetrahydrocortisol HMDB0000949 C05465 AODPIQQILQLWGS-OBRSLYEHSA-N C21 H34 O5 366.24064 10.816 No matches found No matches found DDA for preferred ion Theophylline HMDB0001889 C07130 ZFXYFBGIUFBOJW-UHFFFAOYSA-N C7 H8 N4 O2 180.06464 6.026 83.2 No matches found Multiple matches found DDA for preferred ion Thiomorpholine 3-carboxylate HMDB0059611 C03901 JOKIQGQOKXGHDV-UHFFFAOYSA-N C5 H9 N O2 S 147.03538 0.94 No matches found No matches found DDA for preferred ion Threonic acid HMDB0062620 C01620 JPIJQSOTBSSVTP-STHAYSLISA-N C4 H8 O5 136.03716 0.911 74.2 No matches found Single match found DDA for preferred ion Thymidine HMDB0000273 C00214 IQFYYKKMVGJFEH-XLPZGREQSA-N C10 H14 N2 O5 242.09045 4.624 78.8 No matches found Single match found DDA for preferred ion Thymine HMDB0000262 C00178 RWQNBRDOKXIBIV-UHFFFAOYSA-N C5 H6 N2 O2 126.04301 4.464 No matches found No matches found No MS2 Tiglylcarnitine HMDB0002366 WURBQCVBQNMUQT-OLKPEBQYSA-N C12 H21 N O4 243.14715 9.426 No matches found No matches found DDA for preferred ion Toloxatone D02559 MXUNKHLAEDCYJL-UHFFFAOYSA-N C11 H13 N O3 207.08946 9.75 No matches found No matches found DDA for preferred ion Tranexamic Acid HMDB0014447 C12535 GYDJEQRTZSCIOI-UHFFFAOYSA-N C8 H15 N O2 157.11023 1.423 No matches found No matches found No MS2 trans-2-Dodecenoylcarnitine HMDB0013326 JEOZLTJHDSKQIT-CLVCIHKQSA-N C19 H35 N O4 341.25609 11.151 No matches found No matches found No MS2 trans-Hexadec-2-enoyl carnitine HMDB0006317 SOYNLLDADLOGAM-ISLYRVAYSA-N C23 H43 N O4 397.31899 11.955 No matches found No matches found DDA for preferred ion trans-Piceid HMDB0030564 C10275 HSTZMXCBWJGKHG-CUYWLFDKSA-N C20 H22 O8 390.13173 10.418 No matches found No matches found No MS2 Traumatic acid HMDB0000933 C16308 MAZWDMBCPDUFDJ-VQHVLOKHSA-N C12 H20 O4 228.13619 11.012 No matches found No matches found DDA for preferred ion Traumatin HMDB0037326 C16309 INMKWUNQKOWGEZ-VQHVLOKHSA-N C12 H20 O3 212.14108 11.128 No matches found No matches found No MS2 Tridecanedioic acid HMDB0002327 DXNCZXXFRKPEPY-UHFFFAOYSA-N C13 H24 O4 244.16738 11.617 No matches found No matches found DDA for preferred ion Trifluoroacetic acid HMDB0014118 DTQVDTLACAAQTR-UHFFFAOYSA-N C2 H F3 O2 113.99282 0.798 No matches found No matches found DDA for preferred ion Trimethadione HMDB0014491 IRYJRGCIQBGHIV-UHFFFAOYSA-N C6 H9 N O3 143.05823 0.897 No matches found No matches found No MS2 Troleandomycin HMDB0015448 C12753 LQCLVBQBTUVCEQ-QTFUVMRISA-N C41 H67 N O15 813.44972 12.157 No matches found No matches found No MS2 Tylvalosin D10032 KCJJINQANFZSAM-HZDSEHBESA-N C53 H87 N O19 1041.59116 11.603 No matches found No matches found No MS2 Uracil HMDB0000300 C00106 ISAKRJDGNUQOIC-UHFFFAOYSA-N C4 H4 N2 O2 112.02697 0.949 No matches found No matches found DDA for preferred ion Uric acid HMDB0000289 C00366 LEHOTFFKMJEONL-UHFFFAOYSA-N C5 H4 N4 O3 168.02824 1.445 92.1 No matches found Single match found DDA for preferred ion Valeroidine APLLVFVOTXZBFO-RUJICJSRSA-N C13 H23 N O3 241.1678 11.637 No matches found No matches found No MS2 Valine HMDB0000883 C00183 KZSNJWFQEVHDMF-BYPYZUCNSA-N C5 H11 N O2 117.07885 1.379 96.2 No matches found Multiple matches found DDA for preferred ion Vanillin HMDB0012308 C00755 MWOOGOJBHIARFG-UHFFFAOYSA-N C8 H8 O3 152.04728 8.949 No matches found No matches found No MS2 Vigabatrin HMDB0015212 C07500 PJDFLNIOAUIZSL-UHFFFAOYSA-N C6 H11 N O2 129.07892 0.757 No matches found No matches found DDA for preferred ion Westiellamide C15739 MIDTUAMKJJDHAR-YAWPOEEYSA-N C27 H42 N6 O6 546.31582 11.078 No matches found No matches found No MS2 Xanthine HMDB0000292 C00385 LRFVTYWOQMYALW-UHFFFAOYSA-N C5 H4 N4 O2 152.03329 1.757 86.6 No matches found Single match found DDA for preferred ion Zeranol HMDB0032702 C14752 DWTTZBARDOXEAM-UHFFFAOYSA-N C18 H26 O5 322.17783 11.352 No matches found No matches found No MS2 METABOLITES_END #END