#METABOLOMICS WORKBENCH vanvlietphd_20251119_001956 DATATRACK_ID:6722 STUDY_ID:ST004389 ANALYSIS_ID:AN007334 PROJECT_ID:PR002782 VERSION 1 CREATED_ON November 26, 2025, 9:58 am #PROJECT PR:PROJECT_TITLE Longitudinal Multi-omics Profiling Reveals Different Adaptation to Heat Stress PR:PROJECT_TITLE in Genomically Divergent Lactating Sows PR:PROJECT_SUMMARY Heat stress (HS) poses a growing threat to health and productivity across PR:PROJECT_SUMMARY mammals, a problem exacerbated by climate change. Simultaneously, the gut PR:PROJECT_SUMMARY microbiome plays a crucial role in host adaptation to environmental stressors, PR:PROJECT_SUMMARY yet the molecular mechanisms underlying microbiome-mediated heat tolerance PR:PROJECT_SUMMARY remain poorly understood. Although multi-omics profiling has recently emerged as PR:PROJECT_SUMMARY a powerful tool to explore host–microbiome interactions, no prior study, to PR:PROJECT_SUMMARY our knowledge, has simultaneously integrated metagenomics, metatranscriptomics, PR:PROJECT_SUMMARY and metabolomics in genetically characterized lactating mammals under HS PR:PROJECT_SUMMARY conditions. Here, we present a time-resolved, multi-omics analysis of PR:PROJECT_SUMMARY genomically divergent sows (heat-tolerant, TOL, and heat-sensitive, SEN) exposed PR:PROJECT_SUMMARY to controlled HS, with the aim of identifying microbial and metabolic signatures PR:PROJECT_SUMMARY of resilience. Metagenomic analyses revealed enrichment of specific taxa in TOL PR:PROJECT_SUMMARY sows, including Treponema, F23-B02, and Bifidobacterium, with both enduring and PR:PROJECT_SUMMARY time-specific effects. Metatranscriptomic profiling uncovered functional PR:PROJECT_SUMMARY reprogramming in carbohydrate metabolism, membrane remodeling, and oxidative PR:PROJECT_SUMMARY stress responses in TOL animals. These findings were further supported by PR:PROJECT_SUMMARY metabolomic signatures indicating alterations in lipid turnover, amino acid PR:PROJECT_SUMMARY metabolism, and redox homeostasis. Finally, integration of multi-omics data PR:PROJECT_SUMMARY highlighted coordinated, time-specific microbial responses in TOL sows, PR:PROJECT_SUMMARY reflecting robust host–microbiome adaptations to HS. By identifying candidate PR:PROJECT_SUMMARY microbial biomarkers and conserved functional pathways, this study provides new PR:PROJECT_SUMMARY insights into mammalian HS resilience and establishes a framework for PR:PROJECT_SUMMARY cross-species investigations into heat resilience, stress physiology, and PR:PROJECT_SUMMARY microbiome-targeted interventions. PR:INSTITUTE North Carolina State University PR:LAST_NAME Van Vliet PR:FIRST_NAME Stephan PR:ADDRESS Center for Human Nutrition Studies, Department of Nutrition, Dietetics, and Food PR:ADDRESS Sciences, Utah State University, Logan, UT PR:EMAIL stephan.vanvliet@usu.edu PR:PHONE 1217785001 #STUDY ST:STUDY_TITLE Longitudinal Multi-omics Profiling Reveals Different Adaptation to Heat Stress ST:STUDY_TITLE in Genomically Divergent Lactating Sows ST:STUDY_SUMMARY Heat stress (HS) poses a growing threat to health and productivity across ST:STUDY_SUMMARY mammals, a problem exacerbated by climate change. Simultaneously, the gut ST:STUDY_SUMMARY microbiome plays a crucial role in host adaptation to environmental stressors, ST:STUDY_SUMMARY yet the molecular mechanisms underlying microbiome-mediated heat tolerance ST:STUDY_SUMMARY remain poorly understood. Although multi-omics profiling has recently emerged as ST:STUDY_SUMMARY a powerful tool to explore host–microbiome interactions, no prior study, to ST:STUDY_SUMMARY our knowledge, has simultaneously integrated metagenomics, metatranscriptomics, ST:STUDY_SUMMARY and metabolomics in genetically characterized lactating mammals under HS ST:STUDY_SUMMARY conditions. Here, we present a time-resolved, multi-omics analysis of ST:STUDY_SUMMARY genomically divergent sows (heat-tolerant, TOL, and heat-sensitive, SEN) exposed ST:STUDY_SUMMARY to controlled HS, with the aim of identifying microbial and metabolic signatures ST:STUDY_SUMMARY of resilience. Metagenomic analyses revealed enrichment of specific taxa in TOL ST:STUDY_SUMMARY sows, including Treponema, F23-B02, and Bifidobacterium, with both enduring and ST:STUDY_SUMMARY time-specific effects. Metatranscriptomic profiling uncovered functional ST:STUDY_SUMMARY reprogramming in carbohydrate metabolism, membrane remodeling, and oxidative ST:STUDY_SUMMARY stress responses in TOL animals. These findings were further supported by ST:STUDY_SUMMARY metabolomic signatures indicating alterations in lipid turnover, amino acid ST:STUDY_SUMMARY metabolism, and redox homeostasis. Finally, integration of multi-omics data ST:STUDY_SUMMARY highlighted coordinated, time-specific microbial responses in TOL sows, ST:STUDY_SUMMARY reflecting robust host–microbiome adaptations to HS. By identifying candidate ST:STUDY_SUMMARY microbial biomarkers and conserved functional pathways, this study provides new ST:STUDY_SUMMARY insights into mammalian HS resilience and establishes a framework for ST:STUDY_SUMMARY cross-species investigations into heat resilience, stress physiology, and ST:STUDY_SUMMARY microbiome-targeted interventions. ST:INSTITUTE North Carolina State University ST:LAST_NAME Van Vliet ST:FIRST_NAME Stephan ST:ADDRESS Center for Human Nutrition Studies, Department of Nutrition, Dietetics, and Food ST:ADDRESS Sciences, Utah State University, Logan, UT ST:EMAIL stephan.vanvliet@usu.edu ST:PHONE 1217785001 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Sus scrofa domesticus SU:TAXONOMY_ID 9825 SU:GENDER Female #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 - P76969T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405037a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405037a_N.mzML SUBJECT_SAMPLE_FACTORS - P76969T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405038a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405038a_N.mzML SUBJECT_SAMPLE_FACTORS - P76969T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405039a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405039a_N.mzML SUBJECT_SAMPLE_FACTORS - P76969T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405040a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405040a_N.mzML SUBJECT_SAMPLE_FACTORS - P79416T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405041a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405041a_N.mzML SUBJECT_SAMPLE_FACTORS - P79416T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405042a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405042a_N.mzML SUBJECT_SAMPLE_FACTORS - P79416T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405043a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405043a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405044a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405044a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405045a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405045a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405046a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405046a_N.mzML SUBJECT_SAMPLE_FACTORS - P79697T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405047a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405047a_N.mzML SUBJECT_SAMPLE_FACTORS - P81239T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405048a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405048a_N.mzML SUBJECT_SAMPLE_FACTORS - P81239T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405049a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405049a_N.mzML SUBJECT_SAMPLE_FACTORS - P81239T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405050a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405050a_N.mzML SUBJECT_SAMPLE_FACTORS - P82972T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405051a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405051a_N.mzML SUBJECT_SAMPLE_FACTORS - P82972T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405052a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405052a_N.mzML SUBJECT_SAMPLE_FACTORS - P82972T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405053a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405053a_N.mzML SUBJECT_SAMPLE_FACTORS - P83109T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405054a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405054a_N.mzML SUBJECT_SAMPLE_FACTORS - P83109T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405055a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405055a_N.mzML SUBJECT_SAMPLE_FACTORS - P83143T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405056a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405056a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405057a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405057a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405058a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405058a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405059a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405059a_N.mzML SUBJECT_SAMPLE_FACTORS - P83165T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405060a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405060a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405061a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405061a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405062a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405062a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405063a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405063a_N.mzML SUBJECT_SAMPLE_FACTORS - P83306T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405064a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405064a_N.mzML SUBJECT_SAMPLE_FACTORS - P84253T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405065a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405065a_N.mzML SUBJECT_SAMPLE_FACTORS - P84253T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405066a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405066a_N.mzML SUBJECT_SAMPLE_FACTORS - P84637T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405067a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405067a_N.mzML SUBJECT_SAMPLE_FACTORS - P84637T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405068a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405068a_N.mzML SUBJECT_SAMPLE_FACTORS - P84660T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405069a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405069a_N.mzML SUBJECT_SAMPLE_FACTORS - P84660T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405070a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405070a_N.mzML SUBJECT_SAMPLE_FACTORS - P84660T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405071a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405071a_N.mzML SUBJECT_SAMPLE_FACTORS - P84769T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405072a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405072a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405073a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405073a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405074a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405074a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405075a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405075a_N.mzML SUBJECT_SAMPLE_FACTORS - P87155T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405076a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405076a_N.mzML SUBJECT_SAMPLE_FACTORS - P87611T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405077a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405077a_N.mzML SUBJECT_SAMPLE_FACTORS - P87798T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405078a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405078a_N.mzML SUBJECT_SAMPLE_FACTORS - P87798T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405079a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405079a_N.mzML SUBJECT_SAMPLE_FACTORS - P87798T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405080a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405080a_N.mzML SUBJECT_SAMPLE_FACTORS - P88020T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405081a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405081a_N.mzML SUBJECT_SAMPLE_FACTORS - P88020T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405082a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405082a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405083a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405083a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405084a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405084a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405085a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405085a_N.mzML SUBJECT_SAMPLE_FACTORS - P88422T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405086a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405086a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405087a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405087a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405088a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405088a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405089a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405089a_N.mzML SUBJECT_SAMPLE_FACTORS - P88698T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405090a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405090a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405091a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405091a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405092a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405092a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405093a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405093a_N.mzML SUBJECT_SAMPLE_FACTORS - P88890T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405094a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405094a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T0HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405095a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405095a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405096a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405096a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405097a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405097a_N.mzML SUBJECT_SAMPLE_FACTORS - P89021T3HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405098a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405098a_N.mzML SUBJECT_SAMPLE_FACTORS - P89153T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405099a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405099a_N.mzML SUBJECT_SAMPLE_FACTORS - P89153T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405101a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405101a_N.mzML SUBJECT_SAMPLE_FACTORS - P89153T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405102a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405102a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405103a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405103a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405104a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405104a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405105a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405105a_N.mzML SUBJECT_SAMPLE_FACTORS - P89346T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405106a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405106a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T0NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405107a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405107a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T1NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405108a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405108a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T2NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405109a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405109a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-4T3NHT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405110a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405110a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-5T1HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405111a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405111a_N.mzML SUBJECT_SAMPLE_FACTORS - PO-5T2HT Sample source:Swine feces | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405112a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405112a_N.mzML SUBJECT_SAMPLE_FACTORS - M76969T0NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405113a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405113a_N.mzML SUBJECT_SAMPLE_FACTORS - M79416TNHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405114a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405114a_N.mzML SUBJECT_SAMPLE_FACTORS - M79697T2NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405115a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405115a_N.mzML SUBJECT_SAMPLE_FACTORS - M81239T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405116a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405116a_N.mzML SUBJECT_SAMPLE_FACTORS - M82972T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405117a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405117a_N.mzML SUBJECT_SAMPLE_FACTORS - M83109T2HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405118a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405118a_N.mzML SUBJECT_SAMPLE_FACTORS - M83143T2HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405119a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405119a_N.mzML SUBJECT_SAMPLE_FACTORS - M83165T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405120a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405120a_N.mzML SUBJECT_SAMPLE_FACTORS - M83306T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405121a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405121a_N.mzML SUBJECT_SAMPLE_FACTORS - M84253T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405122a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405122a_N.mzML SUBJECT_SAMPLE_FACTORS - M84637T2NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405123a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405123a_N.mzML SUBJECT_SAMPLE_FACTORS - M84660T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405124a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405124a_N.mzML SUBJECT_SAMPLE_FACTORS - M84769T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405125a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405125a_N.mzML SUBJECT_SAMPLE_FACTORS - M87155T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405126a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405126a_N.mzML SUBJECT_SAMPLE_FACTORS - M87611T2NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405127a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405127a_N.mzML SUBJECT_SAMPLE_FACTORS - M87798T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405128a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405128a_N.mzML SUBJECT_SAMPLE_FACTORS - M88020T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405129a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405129a_N.mzML SUBJECT_SAMPLE_FACTORS - M88422T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405130a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405130a_N.mzML SUBJECT_SAMPLE_FACTORS - M88698T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405131a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405131a_N.mzML SUBJECT_SAMPLE_FACTORS - M88890T1HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405132a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405132a_N.mzML SUBJECT_SAMPLE_FACTORS - M89021T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405133a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405133a_N.mzML SUBJECT_SAMPLE_FACTORS - M89153T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405134a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405134a_N.mzML SUBJECT_SAMPLE_FACTORS - M89346T1NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405135a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405135a_N.mzML SUBJECT_SAMPLE_FACTORS - MO-4T3NHT Sample source:Swine milk | Factor:Non Heat RAW_FILE_NAME(raw data file positive mode)=T2405136a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405136a_N.mzML SUBJECT_SAMPLE_FACTORS - MO-5T3HT Sample source:Swine milk | Factor:Heat RAW_FILE_NAME(raw data file positive mode)=T2405137a_P.mzML; RAW_FILE_NAME(raw data file negative mode)=T2405137a_N.mzML SUBJECT_SAMPLE_FACTORS - QC01 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix01_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix01_N.mzML SUBJECT_SAMPLE_FACTORS - QC02 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix02_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix02_N.mzML SUBJECT_SAMPLE_FACTORS - QC03 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix03_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix03_N.mzML SUBJECT_SAMPLE_FACTORS - QC04 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix04_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix04_N.mzML SUBJECT_SAMPLE_FACTORS - QC05 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix05_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix05_N.mzML SUBJECT_SAMPLE_FACTORS - QC06 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix06_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix06_N.mzML SUBJECT_SAMPLE_FACTORS - QC07 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix07_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix07_N.mzML SUBJECT_SAMPLE_FACTORS - QC08 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix08_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix08_N.mzML SUBJECT_SAMPLE_FACTORS - QC09 Sample source:QC | Factor:QC RAW_FILE_NAME(raw data file positive mode)=MWHW240138a_mix09_P.mzML; RAW_FILE_NAME(raw data file negative mode)=MWHW240138a_mix09_N.mzML #COLLECTION CO:COLLECTION_SUMMARY All samples were fecal, collected via fecal loop at 12:00 pm on sampling days, CO:COLLECTION_SUMMARY placed in individual sterile centrifuge tubes, and stored at −80 ◦C until CO:COLLECTION_SUMMARY further analyses. Sow milk was collected manually and immediately aliquot 1-2 mL CO:COLLECTION_SUMMARY into cryovials and stored at -80°C to maintain metabolite stability. CO:SAMPLE_TYPE Feces, Milk CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY During the trial, sows and their litters were exposed to controlled cyclical TR:TREATMENT_SUMMARY heat conditions until weaning (mean: 21.3 ± 1.1 days of age). Environmental TR:TREATMENT_SUMMARY parameters included nocturnal temperatures of 28.90 ± 2.6 ◦C and 49.29 ± TR:TREATMENT_SUMMARY 12.10% relative humidity (RH), and diurnal temperatures of 30.23 ± 1.31 ◦C TR:TREATMENT_SUMMARY with 48.75 ± 11.28% RH [6]. All sows were provided ad libitum access to water TR:TREATMENT_SUMMARY and a lactation diet based primarily on corn and soybean meal. Metagenomic TR:TREATMENT_SUMMARY samples were collected on days 4, 8, and 14 of lactation, while TR:TREATMENT_SUMMARY metatranscriptomic sampling was performed on days 1 and 18. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Fecal samples were thawed, homogenized, and extracted with methanol:water (7:3, SP:SAMPLEPREP_SUMMARY v/v) containing internal stan- dards. Samples underwent shaking, incubation, SP:SAMPLEPREP_SUMMARY centrifugation, protein freeze-out, and LC-MS analysis. 50 μL of milk sample SP:SAMPLEPREP_SUMMARY and 300 μL of the extraction solution (ACN : Methanol = 1:4, V/V) containing SP:SAMPLEPREP_SUMMARY internal standards were mixed in a 2 mL microcentrifuge tube. The sample was SP:SAMPLEPREP_SUMMARY vortexed for 3 min and then centrifuged at 12000 rpm for 10 min (4 °C). 200 μL SP:SAMPLEPREP_SUMMARY of the supernatant was collected and placed in -20 °C for 30 min followed by SP:SAMPLEPREP_SUMMARY centrifugation at 12000 rpm for 3 min (4 °C). A 180 μL aliquot of the SP:SAMPLEPREP_SUMMARY supernatant was used for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME ExionLC AD CH:COLUMN_NAME Waters XBridge BEH Amide (100 x 2.1mm,2.5um) CH:SOLVENT_A 60% acetonitrile/30 % water/10% methanol; 20 mM ammonium formate, pH 10.6 CH:SOLVENT_B 40% acetonitrile/60% water; 20 mM ammonium formate, pH 10.6 CH:FLOW_GRADIENT Across the time course, component A starts high at 95% at 0.0 minutes, decreases CH:FLOW_GRADIENT to 80% at 2.0 minutes, drops further to 40% at 5.0 minutes, and reaches a CH:FLOW_GRADIENT minimum of 1% at both 6.0 and 7.5 minutes. It then rapidly returns to 95% at 7.6 CH:FLOW_GRADIENT minutes and stays at 95% at 10.0 minutes. In contrast, component B begins at 5%, CH:FLOW_GRADIENT rises to 20% at 2.0 minutes, increases to 60% at 5.0 minutes, then peaks at 99% CH:FLOW_GRADIENT at both 6.0 and 7.5 minutes, before dropping sharply back to 5% at 7.6 and CH:FLOW_GRADIENT remaining at 5% at 10.0 minutes. CH:FLOW_RATE 0.40 mL/min CH:COLUMN_TEMPERATURE 40 °C #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Metware Biotechnology Inc. #MS MS:INSTRUMENT_NAME ABI Sciex 6600 TripleTOF MS:INSTRUMENT_TYPE Triple TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The original data file acquired by LC-MS was converted to mzML format by MS:MS_COMMENTS ProteoWizard. Peak extraction, peak alignment and retention time correction were MS:MS_COMMENTS performed by XCMS program. The peaks with missing rate >50% in each group of MS:MS_COMMENTS samples were filtered. The blank values were filled with KNN, and the peak area MS:MS_COMMENTS was corrected by SVR method. The metabolites were annotated by searching MS:MS_COMMENTS MetwareBio’s in-house database, integrated public database, prediction MS:MS_COMMENTS database and metDNA. Finally, substances with a comprehensive identification MS:MS_COMMENTS score above 0.5 and a CV value of QC samples less than 0.3 were extracted, and MS:MS_COMMENTS then positive and negative mode were combined (substances with the highest MS:MS_COMMENTS qualitative grade and the lowest CV value were retained) to obtain the MS:MS_COMMENTS all_sample_data.xlsx file. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples P76969T0NHT P76969T1NHT P76969T2NHT P76969T3NHT P79416T0NHT P79416T1NHT P79416T2NHT P79697T0NHT P79697T1NHT P79697T2NHT P79697T3NHT P81239T1NHT P81239T2NHT P81239T3NHT P82972T0NHT P82972T2NHT P82972T3NHT P83109T0HT P83109T2HT P83143T0HT P83165T0HT P83165T1HT P83165T2HT P83165T3HT P83306T0HT P83306T1HT P83306T2HT P83306T3HT P84253T0NHT P84253T2NHT P84637T0NHT P84637T2NHT P84660T1NHT P84660T2NHT P84660T3NHT P84769T0HT P87155T0HT P87155T1HT P87155T2HT P87155T3HT P87611T0NHT P87798T0HT P87798T2HT P87798T3HT P88020T0HT P88020T3HT P88422T0HT P88422T1HT P88422T2HT P88422T3HT P88698T0HT P88698T1HT P88698T2HT P88698T3HT P88890T0HT P88890T1HT P88890T2HT P88890T3HT P89021T0HT P89021T1HT P89021T2HT P89021T3HT P89153T0NHT P89153T2NHT P89153T3NHT P89346T0NHT P89346T1NHT P89346T2NHT P89346T3NHT PO-4T0NHT PO-4T1NHT PO-4T2NHT PO-4T3NHT PO-5T1HT PO-5T2HT M76969T0NHT M79416TNHT M79697T2NHT M81239T1NHT M82972T1NHT M83109T2HT M83143T2HT M83165T3HT M83306T3HT M84253T1HT M84637T2NHT M84660T1NHT M84769T1HT M87155T3HT M87611T2NHT M87798T1HT M88020T1HT M88422T1HT M88698T1HT M88890T1HT M89021T3HT M89153T1NHT M89346T1NHT MO-4T3NHT MO-5T3HT QC01 QC02 QC03 QC04 QC05 QC06 QC07 QC08 QC09 Factors Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine feces | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Non Heat Sample source:Swine milk | Factor:Heat Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Sample source:QC | Factor:QC Valeric acid 23801.13 54725.63 27852.71 40118.49 36534.15 50776.56 58592.09 31346.26 20515.03 54502.47 28241.24 86553.54 98636.01 52615.82 52459.99 43539.44 38686.51 40879.21 103731.84 17408.99 8000.04 53010.89 60212.6 72378.79 40727.78 24448.8 57111.86 36815.6 63260.09 2204.9 20021.13 76585.25 60810.76 48571.78 42184.33 46869.1 25927.6 27370.32 44892.71 36569.16 14014.17 37803.05 56441.1 31951.58 40744.76 23652.83 41555.97 99716 41417.65 53496.78 22582.62 49862.79 48842.04 44656.15 26924.89 53516.92 30375.39 24610.36 30430.59 21460.28 65212.58 73484.06 26710.87 21336.5 34375.16 58904.31 9092.23 47687.66 36158.29 22795.28 29197.28 47074.6 19328.17 52339.32 36738.77 43684.56 44132.6 43864.05 43758.34 43685.22 44025.72 44043.29 44056.64 43835.83 Ferulic acid 102079.28 160899.41 92729.97 48741.54 77984.66 13003.24 33708.34 77044.96 249449.63 113104.99 169888.91 77249.7 3327.8 105188.54 125710.23 224187.61 295290.89 68388.37 101000.79 118183.37 79854.56 40047.1 61649.78 91873.66 120170.12 262656.45 162944.72 47497.95 85842.07 816.59 128760.77 74059.95 47414.11 47024.88 79730.63 76891.11 208087.52 161529.64 53613.37 242291.24 51274.4 88716.18 100973.45 74335.5 197901.07 51861.62 75549.81 31059.77 50932.88 128359.97 130286.31 167264.21 87264.86 124423.18 121400 263672.94 129292.7 91084.14 84112.86 53666.08 69629.01 33986.36 187046.9 229673.19 128410.22 177753.02 269652.58 105234.57 112831.1 134798.16 129414.61 182718.52 125896.94 168589.25 149733.55 4441.51 4274.52 4465.94 3762.26 4053.55 4769.42 4447.89 4658.93 4072.09 4473.47 4423.47 4264.09 4241.63 4361.41 4801.04 4363.08 4472.46 4467.02 4328.58 4618.3 4393.54 4626.73 4814.77 4616.32 4539.95 114512.18 115598.62 115075.4 115747.32 115265.97 115592.05 115110.49 115601.98 115067.81 D-phenylalanine 158197 132304.69 380102.4 274292.44 216697.89 75882.01 352885.08 222686.49 212368.97 137788.11 255961.22 369090.74 339500.29 196550.43 217512.05 240537.91 151933.72 217212.44 266344.26 169855.16 181104.93 89057.27 244757.1 249813.27 245222.7 126200.22 222419.83 224609.18 151337.43 60538.76 139005.98 172154.25 97269.47 294532.5 243960.94 174665.3 194027.54 127150.86 228693.32 229481.06 31104.81 100332.39 242558.39 171989.35 164983.59 484501.45 142920.06 183513.45 282609.17 190752.42 327268.86 188175.7 329388.4 512604.55 225131.76 130915.83 360345.27 277979.06 100017.03 214566.94 209073.17 183355.2 270908.01 401290.74 259342.49 238066.11 138104.5 136244.53 157210.51 252494.38 160860.09 150863.95 288901.86 354567.04 351785.33 13352.17 9748.23 15138.06 37669.23 16665.26 14283.77 21020.5 9076.45 8725.26 17237.02 14814.5 10086.76 12072.65 9252.29 18234.41 8159.55 24727.7 24651.61 10789.82 15939.96 16110.39 18160.61 15813.35 22969.65 10336.46 230440.4 233740.06 233678.44 228672.13 232303.71 233590.83 233593.82 230952.05 233579.84 4-Pyridoxic acid 490.53 1306.44 80072.18 117858.02 7215.97 212783.6 30145.64 1272.29 5346.43 1512.62 258.29 1979.41 10843.86 361.95 3500.95 2047.7 38413.35 259.61 2431.8 11009.45 24590.41 5628.41 329.42 314.79 3255.73 845.1 503.75 1175.01 13585.7 787.04 1764.92 190.95 13677.41 72229.29 83442.58 2473.15 1602.82 1166.01 278.22 1867.01 1982.74 3537.6 1093.87 335 427.73 11594.43 2418.39 4859.03 13559.61 676.48 612.99 991.44 3727.48 5165.79 378.4 3685.7 100492.98 69345.51 4856.63 109290.14 3016.43 7660.89 107529.67 25952.73 17343.88 631.51 1414.42 6632.43 246.81 308.36 4537.22 2507.48 6752.83 20261.59 2439.9 13716.43 20482.57 18649.37 19118.0 18317.68 12539.25 13222.67 13137.57 21943.31 12427.59 10579.5 10945.3 12602.65 12977.99 10189.06 19779.22 15356.54 11709.77 18265.2 15421.17 20235.77 14493.18 18877.62 11551.94 18678.4 14670.05 14478.83 14838.31 14470.25 14110.31 14684.35 14412.98 14675.77 14688.23 Isobutyric acid 21916.98 45665.04 35683.01 34455.94 38349.02 44865.17 38324.88 22757.31 6310.15 50445.82 19438.41 61669.31 76792.27 37227.84 54285.04 39846.85 37752.91 39341.69 80476.84 7683.6 750.11 28673.38 43538.11 59363.92 39042.49 31274.51 42904.23 27833.17 52227.04 28135.09 9106.75 53265.24 46637.03 32636.1 36811 43900.46 24982.92 22572.37 28516.95 37717.17 4660.65 24173.66 40978.2 26230.7 28915.47 15591.61 29528.15 64571.95 25217.64 44209.67 13981.81 34460.89 39060.36 37865.98 27729.65 56430.92 38784.14 41999.81 31589.69 30382.49 46331.37 60330.49 18648.62 27095.03 50486.19 50029.73 4603.4 63156.04 30196.47 20355.45 16858.33 31853.35 18821.78 47224.43 26153.22 37155.85 37612.31 37302.36 37157.37 37419.88 37161.79 37416.08 37266.38 37154.76 3,4-Dimethylbenzoic acid 637147.97 1056926.17 202905.5 190585.75 589400.17 278211.12 380571.43 716753.33 274677.05 952331.85 311971.54 621606.34 772698.28 558017.44 983154.07 532673.95 365727.41 895124.66 1054810.02 186425.65 122289.3 53993.31 437684.95 434667.46 1502612.53 534027.74 1027675.43 685840.86 1536809.84 11893.28 381975.47 930368.45 863171.66 210536.95 257428.15 1167298.85 568355.46 457570.06 395580.16 527522.31 197129.21 667543.52 305326.74 373064.19 625212.19 337206.07 598176.98 1355083.41 609164.59 1155346.6 411406.59 463327.19 381127.97 327480.87 520796.91 1111571.58 200340.02 349563.12 913313.93 215996.79 292128.85 382311.44 505231.18 199372.25 860153.61 746293.08 298008.99 1058200.19 1106427.93 799954.96 568918.2 967084.07 362179.44 522394.31 438687.99 585495.44 570097.18 590978.6 583428.06 575181.76 590765.83 567422.93 567364.17 590948.28 FFA(18:2) 1713564.64 1108426.96 11460911.68 5425831.91 4370888.39 6338346.74 3196047.21 1317255.94 1342051.77 2353107.55 2890566.87 3022842.96 5212208.56 2302906.61 1039906.46 12524214.08 3500601.65 1777211.04 1988979.45 1037160.84 1802628.45 2569548.76 5868577.34 2092676.71 1121445.1 1012355.61 1165994.56 1423342.62 1439956.44 481261.33 408992.63 1508854.29 2383341.89 4434061.94 4876286.23 772009.99 1310462.15 3902846.05 4489854.68 2492869.46 855676.98 1668593.61 5141026.22 2833870.11 1195617.63 3378891.29 800522.52 955206.53 1677970.83 6854886.02 1765689.42 4220239.65 3421470.53 6128172.4 2186084.62 2197910.98 6654380.38 4369915.25 561414.62 2570673.86 3795118.83 6913098.68 2322001.04 3098248.66 1132951.96 3946244.41 1398625.65 2104496.4 1620620.56 1265214.57 851297.65 1399652.55 4428704.56 3200815.4 4364974.32 51293.58 45431.96 19941.33 47293.05 20255.53 46792.21 26052.47 14128.46 38074.32 23192.61 19707.99 18704.99 21917.13 11881.1 19582.51 27528.14 18834.81 39671.51 34570.18 17819.1 17416.61 19059.46 31513.44 13744.94 16866.22 3020108.69 3110195.39 3085239.06 3044118.16 2992438.31 3059397.3 3020048.41 3022781.07 3060708.47 Deoxycholic acid 671679.07 1489338.92 15448043.75 2303877.18 11896588.51 1061376.21 3902475.8 4112976.3 2764546.85 1399374.4 1543833.9 4173484.93 2002185.93 2395617.49 2530317.29 6675308.88 4901628.13 1434436.03 13131559.16 2202222.15 5375317.17 1183762.19 13250682.55 4041301.55 5655360.3 1095488.31 2988099.55 2062511.93 14141292.05 1729020.18 761393.4 3302346.45 10836768.71 4290451.75 3017114.53 6585100.47 2195268.15 2701394.42 1509313.53 922499.11 1861559.33 2647119.9 3847452.91 102805.23 1567346.44 1952234.61 4521770.71 8236996.35 11949981.02 3810069.26 1901130.61 4930055.44 4611018.36 3755012.31 5799821.77 1936840.67 4883104.77 1963671.67 3743387.9 48663.71 2652557.98 1460940.26 5293559.31 9428142.28 4599859.82 2212504.93 607410.02 1446291.01 774827.35 5533755.2 1183520.47 1687336.19 2322370.55 3550233.23 2617205.6 6427.67 2897.02 15158.48 13420.06 9589.37 4685.33 6491.23 3505.75 5768.3 11644.17 7920.55 1465.14 12297.61 2743.44 5052.61 4623.78 2049.44 12732.94 12526.92 5872.03 9099.27 5710.26 3925.03 5406.4 4849.81 4294000.92 4233497.23 4225657.41 4238837.1 4223357.95 4197911.03 4257587.22 4248513.2 4230863.3 Allocholic acid 2432363.67 2933485.75 5808594.48 3748424.51 7509344.8 3040622.69 2061584.6 4465545.74 6962689.88 4905276.74 3763692.44 4108688.09 1027985.17 2686131.14 3024698.76 2966789.57 1085674.84 2106049.75 8311846.56 6764206.18 3435268.74 3228679.61 6137187.55 6924080.33 10381090.61 4059164.73 5807398.06 3590618.25 17602584.33 3419873 1668786.37 3983410.94 3403860.63 4577989.68 5209399.85 10084754.45 3931452.07 1846602.65 2381644.98 1960594.28 1867125.5 3176397.03 4101503.4 1122331.02 6192655.97 5250241.6 3749708.87 7663985.71 9000617.51 3342077.05 1544454.94 4579499.97 4791016.75 2902311.4 6165484.96 2581589.61 558221.83 2824216.05 4001873.62 333085.91 2962327.83 1176459.19 8320326.85 5943170.83 3986841.34 4884791.82 1515395.26 2628416.7 3814167.04 7914544.06 1376259.64 4249083.79 3850857.44 3860834.69 2944090.57 3973564.3 4103159.87 4215302.47 4282648.74 4195795 4154465.96 3787224.12 4177014.97 4282479.56 7-ketolithocholic acid 297468.94 288352.96 386968.58 335564.07 263892.01 290922.31 292088.02 281426.31 297574.64 329675.79 347402.71 246236.4 210760.34 268623.38 69851.85 323060.04 345396.74 264147.52 221390.59 216988.77 291382.02 291101.27 307227.79 282276.81 254054.25 313356.16 271614.46 292445.24 241790.4 446609.14 31986.19 262500.74 413458.4 303651.39 356772.1 259429.49 355404.13 383313.33 354125.05 395943.72 332941.94 273839.91 299029.04 96964.47 241924.09 257424.82 253472.11 314047.13 291654.61 253180.41 325735.11 305573.07 305623.01 330117 289364.55 264279.12 406193.1 313604.73 295177.51 347831.37 376235.01 338530.87 302129.08 353940.9 315318.01 276378.62 238306.15 255766.61 284540.18 297878.42 355666.08 350833.45 363799.71 370043.7 387811.03 6063.47 5617.85 5417.75 5827.19 5849.28 4272.53 4456.57 5853.68 5728.76 5848.77 6473.22 5752.81 4686.62 5482.57 5337.54 6084.06 5316.26 6117.02 5942.35 4446.41 5494.31 5636.76 5385.22 5799.85 5643.14 281338.47 294557.24 290651.22 286720.46 278087.15 290804.66 233431.94 290730.05 287757.69 Hypoxanthine 110577.38 172519.08 336403.52 250918.25 103956.43 27372.47 170758.61 116495.69 136984.21 89268.12 208634.09 133166.63 204473.68 151233.86 232586.47 203742.77 177170.21 192071.39 72466.41 102537.15 122456.24 40610.47 128505.61 167205.71 127627.43 116404.59 112248.8 104460.11 97704.76 19021.07 127712.48 67584.34 102025.69 175503.65 215357.87 89971.31 160265.47 126783.39 154384.51 221837.82 40098.61 69544.25 197339.93 219802.88 108790.53 186313 173323.61 119691.33 52552 106030.18 113170.37 155338.48 183617.94 266766.71 153617.81 227132.43 386935.69 277828.2 126898.5 152389.36 208421.53 192039.54 301996.44 357691.36 257326.51 180497.44 136872.97 124117.75 150579.72 170818.92 174968.69 110945.72 279621.77 342404.2 342781.85 4621.12 1249.28 7518.17 5336.33 3866.95 3668.52 6669.51 1962.94 3059.63 5997.38 4415.36 7411.23 3612.09 2490.71 6004.01 517.36 8062.04 5407.18 4023.37 3781.42 6214.7 7798.27 2561.19 6037.06 3186.94 172545.58 171962.64 172546.59 172886.15 172552.63 171226.62 171967.22 171964.99 171548.54 N-ethylene glycol neuraminic acid 38565.92 162602.81 7538.91 818319.96 86944.8 35793.23 185325.4 68622.43 174018.37 34742.35 102829.45 243280.08 415801.09 44795.92 259427.49 471122.07 106852.68 110348.4 12852.08 26497.49 65063.61 11293.58 39331.31 114348.74 69449.27 46288.41 60786.37 156966.14 33480.05 9095.54 124593.58 280161.76 18418.38 163019.55 99158.23 11394.84 100954.36 49668.73 86136.56 165269.67 13303.53 60137.39 89616.37 65043.21 108090.25 429830.84 91424.61 28117.5 30471.45 157442.51 150283.09 123614.5 163951.19 875421.71 1019360.51 2821.12 33672.4 7928.96 90536.76 461871.77 38821.77 105604.65 351247.32 404191.23 85022.76 428334.07 58946.14 121343.99 215428.34 72506.25 45741.01 60760.24 80676.68 506875.65 678322.79 189904.33 194518.48 191319.73 192037.31 188028.92 192233.01 190053.38 192211.8 192117.34 Adipic acid 65327.59 54122.85 44420.05 63324.83 100822.41 148319.51 100954.11 111033.83 102596.75 67941.7 89497.99 82396.36 81544.55 55015.61 101549.57 121669.48 68159.32 102901.15 112760.58 116946.61 135194.84 57566.53 72656.06 68509.97 87401.27 87961.02 120154.57 69245.45 161620.11 36762.99 131709.3 142485.29 90409.26 74304.94 58161.61 88534.26 84748.42 63421.39 64133.22 57266.7 103970.75 154774.76 86611.87 47113.32 111090.19 73908.63 147493.72 137004.81 88161.63 161801.74 63660.26 92084.23 68243.03 114778.19 46111.39 77473.38 35748.42 38578.01 92197.63 39339.81 39893.89 47010.64 57032.74 77198.15 88270 81644.04 91305.52 68608.53 56181.91 89610.51 102656.51 78289.61 68122.05 84689.13 75668.89 92323.12 93852.49 94158.41 95110.45 93854.12 94159.69 94158.9 93853.2 93853.75 Guanine 7856.39 7970.97 12980.46 6374.4 17553.19 3545.29 31127.74 19977.48 26476.77 11122.08 7259.15 10264.58 16320.03 6539 24056.53 18376.92 14951.17 12795.15 13287.25 30544.36 15023.75 6592.61 10702.63 7883.12 17652.56 24912.93 15523.23 5588.34 17381.69 8755.19 19517.71 8968.92 13758.52 5247.2 6545.65 16733.6 14197.37 12526.05 7072.15 5626.89 2918.79 3538.3 3136.45 11591.84 14022.8 31189.59 16234.57 14171.03 6707.42 14036.12 10649.83 9109.12 7706.08 19471.09 12148.05 10148.52 31760.07 7268.69 12576.02 3340.1 3922.84 10724.52 12307.4 12884.53 5691.8 13551.46 5082.64 11799.26 9426.75 20362.17 17960.23 11092.63 742.48 13532.52 27243.03 22501.61 10225.06 9022.05 19696.93 10790.36 12216.27 23261.37 24691.15 11876.26 10342.86 25346.8 5450.84 18460.21 24481.22 16592.51 27704.87 9790.83 15243.05 37975.43 27742.48 13861.51 13134.86 26783.3 13585.47 34107.59 14637.21 14363.65 14493.85 14360.01 14496.45 14463.4 14359.13 14357.78 14497.61 Fructose 26915.4 48411.62 89626.56 113127.7 297350.27 106676.38 379542.23 85965.2 162571.91 92798.09 155710.05 105244.53 99220.82 22142.7 66736.84 92997.63 214285.59 137482.54 67750.4 31937.88 94616.46 27733.93 28274.13 56627.84 112053.77 151237.19 103673.82 120237.3 61596.67 35008.73 55878.37 60949.35 42895.27 138927.33 212994.59 68924.82 94100.47 102914 27449.49 280964.02 32534.03 47857.85 114977.85 3855.24 39372.95 310335.46 91033.64 54794.83 53475.89 71937.79 95717.65 39839.47 361566.24 451038.03 314730.17 13430.4 81223.1 421823.79 86630.38 152001.62 26765.83 21285.08 68969.2 693461.98 291996.17 174348.77 85955.44 37449.82 40691.95 72288.29 66152.26 30713.31 296499.01 763372.62 102839.16 3587.15 1949.98 2767.08 3281.06 3042.41 1745.08 2769.17 3471.13 3593.36 2276.39 1790.6 1101.05 3722.03 3345.75 2783.31 2394.12 2609.87 4264.74 3509.66 2669.81 3541.83 3455.85 3389.93 3441.78 3936.16 129038.58 129885.52 129035.06 129035.58 132534.46 129045.05 129871.35 128421.31 130615.31 2-Acetamido-2-Deoxy-D-Mannopyranose 83522.12 47153.46 46743.94 154209.73 267818.94 48721.88 317117.88 201749.82 341725.27 96465.81 270456.38 327209.04 260741.91 43744.68 163082.58 186736.13 54817.66 187054.83 85381.57 85694.14 244284.71 46822.63 70177.72 96457.43 175881.4 107561.51 133806.63 289881.23 129076.6 228930.14 194895.06 184529.27 54833.4 432865.13 488588.53 105447.98 199767.79 90400.1 82263.89 547889.88 56550.4 83180.81 272097.81 105153.53 158799.55 384821.57 292597.53 111147.32 124194.45 146905.98 278052.47 144592.5 513745.75 766275.76 283408.49 3548.6 31897.33 178485.58 151103.52 172146.35 23106.78 53737.65 226894.03 743748.59 257213.96 479677.44 260141.12 40477.5 52327.28 149705.96 103522.9 65528.06 272008.14 530622.78 184706.75 22028.93 22642.2 17434.62 17668.91 15830.51 26552.23 28860.17 19951.47 30066.8 38188.5 35375.94 35792.3 25009.84 19931.82 29157.03 11957.96 31746.9 32494.65 14432.64 29516.21 27559.18 27076.38 21848.78 30996.69 31487.16 200943.43 204597.04 203456.91 204347.4 206598.45 203448.61 203755.71 205310.64 203449.29 N-Acetylneuraminic Acid(SA) 155213.36 99844.09 74340.31 808900.41 484457.29 141956.15 1425420.89 167149.57 445286.94 54305.47 234624.55 887872.79 373580 117404.88 138197.35 789978.59 95956.43 149028.75 271834.34 212460.67 597220.61 79509.85 123799.85 318656.07 82499.29 59882.78 172879.8 354692.33 109043.81 60566.55 132051.08 649245.61 18279.8 425413.06 281857.62 27701.68 241904.8 149664.55 225180.85 239940.6 70331.12 78877.61 118019.46 52531.74 179586.68 947269.03 486465.34 98830.74 46056.61 92136.72 247910.93 97496.81 386230.65 1495533.27 427159.2 153825.34 25512.96 27850.64 190990.7 536848.27 30656.29 108182.97 277487.73 374370.36 124472.54 770552.4 334373.02 372215.52 742731.13 192245.96 55503.18 127761.72 358288.15 569964.27 1152936.36 333594.79 333372.32 333348.14 335022.33 336514.33 329023.89 334930.58 335032.72 335038.94 L-Aspartic acid 48715.15 69005.27 70736.27 59996.32 29193.32 72100.57 191688.16 34894.18 21611.71 24553.01 23728.83 83139.16 189938.8 83308.35 61930.86 67795.66 135652.28 65303.9 74416.58 53151.14 18590.92 20475.11 69777.16 46501.28 58695.64 19445.88 17959.01 16007.3 21535.64 27188.61 40234.88 13995.52 20009.56 13583.91 9659.24 18102.49 30888.74 18957.9 17091.07 11337.62 10863.09 17903.77 21899.43 30357.67 18667.68 45727.12 38325.28 69374.87 17178.28 31199.91 23049.78 21196.88 13169.99 45282.82 34159.76 51050.35 83383.08 34782.56 24332.58 38477.13 43969.78 33484.75 25525.98 40977.45 44152.25 20521.68 9662.37 43740.96 52044.84 34672.55 23559.76 17491.2 19274.83 34158.3 69764.9 36885.27 36158.97 36217.27 36214.51 35806.23 35806.52 35849.13 36228.31 35821.11 Disodium 2-hydroxypentanedioate 49936.19 44378.72 74420.13 147480.68 152671.59 176494.34 274709.92 99448.84 168816.59 22987.91 58463.61 49140.42 94329.61 32384.97 76475.85 88323.88 61940.21 57907.73 31699.35 23555.67 172213.45 23152.44 41090.66 55368.05 20461.9 64896.04 82049.4 36954.46 124340.78 8522.86 15888.13 29714.41 15261.37 38154.7 27804.91 11054.44 38521.97 50784.78 45969.46 29560.57 58154.61 26824.23 17321.38 81969.45 23929.91 152078.8 31776.51 18725.63 43132.5 43829.28 55746.68 29016.16 26254.03 74473.48 54272.41 60645.42 373337.72 75822.79 21126.49 44463.47 59496.06 36655.88 101905.53 88910.38 12502.8 67992.8 119066.59 27588.16 70782.47 24161.63 57686.48 22754.61 74153.01 50447.37 129611.89 61675.28 60394.75 60526.11 60402.91 57567.71 56497.32 60319.12 58777.85 60299.27 Adenine 9713.87 14828.41 45248.38 8049.62 3757.1 7511.71 853.66 7353.04 12675.19 9428.76 9578.09 6424.5 5447.44 19131.56 14850.63 15654.06 8008.62 17411.9 39743.88 20386.47 6486.51 10051.29 14784.86 14701.09 9938.35 8550.86 6990.02 4441.48 8305.05 9971.97 8234.02 7696.99 6423.05 7666.64 6466.08 12895.81 9580.53 3553.59 8229.28 6103.48 50897.74 11100.7 19193.07 31249.85 16308.14 2852.37 14043.09 18757.18 7685.24 31829.74 4674.94 14990.37 6243.14 3078.09 8689.43 22506.99 18123.74 17380.89 2421.58 12008.29 26254.84 7620.39 14690.13 8442.74 30270.63 4787.7 9115.85 11868.76 11673.47 12818.11 13257.6 15622.37 23046.75 19280.46 13723.72 14308.31 14942.6 14934.02 14938.08 14624.41 14797.15 15077.97 14847.71 14811.05 12-Hydroxystearic acid 2845881.66 3689906.15 12035265.86 9245639.87 3496891.19 3853276.36 5637039.51 1977725.71 2237331.81 2114419.25 3365180.36 3948181.29 9454172.41 3894841.6 1688809.37 5233855.98 6295920.07 2918241.72 2667335.49 1846691.93 3358287.61 6579683.24 8670633.86 6334250 1878996.83 1707356.7 1128874.37 1542165.39 1964660.24 2409401.38 1606210.8 3124987.36 2884710.49 3413192.21 3934440.84 1220487.32 2072712.9 5250739.9 5186207.41 2011265.82 2009113.76 4876171.95 3862616.66 3732379.04 4003126.58 6793220.74 2365022.65 2140484.88 3219512.28 3096826.21 3297745.59 3015763.85 3605542.24 4382102.67 2520859.35 2896480.16 7094864.29 3633792.7 974899.33 2234984.97 6524623.49 4987162.8 3395078.74 2198730.46 1461708.88 6767227.29 2929163.81 3205126.23 2580981.69 1339167.11 894787.45 2167970.1 2219294.61 2539291.16 5047666.84 109833.68 150483.86 134546.67 278869.89 123398.6 119855.02 124260.55 321673.23 244576.39 118483.36 90815.49 147604.58 136762.34 273785.51 96794.66 187168.18 118894.0 105049.52 108263.55 123445.65 141535.69 103692.62 137333.26 116336.15 134935.55 3677518.73 3759070.78 3687697.04 3690383.7 3684036.9 3762496.06 3650919.89 3740159.24 3690769.35 Malic acid 301069.49 250884.52 365311.24 271617.76 169247.25 84884.94 240103.83 301825.61 150354.57 58674.83 190694.89 72182.46 83842.51 160035.29 260943.56 235088.09 397051.64 302121.1 43752.19 88182.02 439238.78 99902.51 105727.69 185294.77 122265.65 40679.66 49348.95 28240.19 45837.22 5858.48 75517.05 14196.2 63887.42 40650.34 128230.81 34798.08 88558.65 82937.67 45329.48 74109.62 9941.4 18190.08 60364.8 134171.52 80106.56 54872.99 162714.25 108715.24 21899.39 32385.73 32526.47 168725.16 83241.85 79359.95 113062.71 180821.64 812925.72 265903.34 102356 99502.79 188311.63 83104.52 280335.65 413619 257678.82 109325.59 129602.76 67211.54 276392.06 201530.85 104215.34 62735.26 235224.73 172541.73 324081.73 2472.44 1290.35 1257.96 826.91 525.08 3734.42 3406.66 1645.44 14781.4 4446.27 9921.86 68394.91 21098.27 1922.39 12456.35 1711.1 7737.45 7974.62 25439.88 20747.89 29751.26 8498.31 44987.79 20568.38 161888.96 171107.61 159394.59 158129.86 161944.21 157891.95 160107.86 162166.65 161073.98 Glycoursodeoxycholic acid 55732.42 627.55 71349.74 17787.22 217130.98 11086.62 74479.34 51728.59 33557.45 35481.75 25305.18 20232.04 73184.65 85847.15 18113.39 34053.35 146051.6 22022.47 26269.63 6288.39 44109.92 33855.65 70963.12 43727.41 60172.87 51872.84 69227.84 29318.21 41960.85 6322.9 13991.9 38822.75 15711.04 30704.26 8699.8 33879.95 19947.18 22481.74 12409.37 26281.51 8059.63 155200.64 7986.7 8111.25 48337.72 71623.44 17264.47 15904.06 51533.06 85614.84 232927.68 24489.42 29406.96 210573.82 253781.77 14676.81 31035.39 10687.92 39387.73 21319.65 16336.11 4675.14 44339.96 32344.76 24769.2 80164.56 2244.98 19285.36 17213.74 21694.05 8122.32 25375.89 13883.46 13479.69 26094.99 873.41 1333.07 4572.22 3364.92 890.29 3451.13 685.32 2068.81 1858.46 6505.23 1165.38 5914.5 529.31 1295.68 1720.19 2716.45 2098.76 2063.59 3863.34 2701.36 1547.71 2661.8 812.25 1192.12 48204.51 46552.77 43398.13 46228.02 45921.2 45464.57 46888.56 45905.14 46461.51 Alanine glutamate 45141.07 106063.88 63607.88 88334.81 148753.54 52901.82 90778.23 66536.59 60227.54 38781.6 24579.19 92998.97 82309.97 48059.71 252529.75 144081.01 116281.65 151299.79 87552.02 49971.45 32001.11 32738.28 24989.05 74512.12 113442.74 83438.86 52042.6 14546.62 54437.97 57290.37 36898.52 26165.71 48952.35 19598.48 22168.06 33352.14 71685.87 18048.64 19568.88 38599.82 10451.04 20767.69 63018.25 23736.35 32134.1 29723.78 90583.09 75362.41 20133.12 57290.83 35501.64 31487.99 29032.29 64369.83 128707.22 152971.83 52330.19 93062.76 66022.58 47655.52 40058.6 32880.56 105157.67 79190.48 119714.98 71670.45 26384.73 45784.98 58208.33 88018.92 58390.59 23024.07 38250.53 138502.41 82392.84 74001.4 76338.44 74179.4 74779.63 73961.92 74092.21 73967.01 74803.1 75038.8 Aminosalicylic Acid 317463.92 374736.06 84270.24 100044.32 579950.34 669446.84 301615.95 500520.27 758767.57 263704.9 359872.66 254021.74 171968.17 183156.62 701011.18 367983.16 246247.42 422595.13 276830.07 530440.42 394422.24 361679.37 163180.19 246667.52 372200.63 467791.48 209377.67 178974.64 268385.99 44947.87 390196.97 233811.79 199406.86 78606.24 24122.06 197221.37 260181.05 251350.28 141971.23 116399.25 255865.14 284328.25 143748.57 101082.98 400237.32 213641.48 460786.01 276450.89 82026.35 174758.64 201007.56 375519.18 235235.51 269389.54 308595.85 427474.74 25244.22 23452.97 324027.59 161827.83 114709.66 87922.53 114115 154744.51 165331.02 294166.1 322505.86 209874.17 207971.77 451205.3 227927.42 294898.19 120869.34 141763.54 161259.99 264687.19 289547.19 271709.83 278436.77 276024.58 275403.19 289470.55 289298.27 291030.81 3-Methyladipic acid 181542.8 202036.24 286336.58 316559.32 280576.47 252594.91 462348.44 310763.94 313568.36 334147.71 490966.41 590927.25 596097.59 342918.53 240107.27 567959.27 304052.58 250350.09 642820.24 371619.7 277729.93 226036.1 499818.7 376930.53 285761.9 289677.06 391402.34 476206.26 355994.82 184391.96 424234.58 868106.56 217363.06 486678.83 350674.94 256169.1 241366.16 226184.13 330610.98 289987.98 292704.44 437718.86 414875.57 265443.29 326882.12 394046.04 326382.64 505844.63 390391.78 848951.2 181155.84 230083.17 424761.13 514424.21 141345.16 210967.15 226961.54 202151.83 249129.4 35061.59 231544.49 231127.37 155872.26 336696.64 348601.3 244469.08 291432.47 360525.14 345260.65 235976.22 248319.27 394184.52 366259.41 411124.33 402953.26 354035.68 354907.87 356056.68 354472.41 354033.07 352228.62 354895.72 354058.62 354094.15 Orotic acid 20549.75 26667.5 19621.59 23821.24 50691.88 69059.65 127785.9 26518.4 41566.3 34096.95 30004.36 38199.33 11343.05 16832.4 53271.66 124000.21 25686.11 77396.45 68808.29 97400.47 69072.19 29888.34 3402.7 55280.25 57135.19 8766.15 5137 822.76 13659.03 32481.43 62672.9 8979.56 9699.77 485.9 9469.14 7528.05 45885.7 16867.05 16689.07 14722.75 38183.89 5652.69 17237.82 2016.89 16484.58 1118.58 54086.26 63488.16 1725.81 17828.58 529.64 12434.38 8936.26 12191.51 12468.04 30369.9 48070.86 15333.43 10539.45 1917.85 14451.07 13032.75 24369.59 31169.13 44740.88 33093.81 29761.29 27164.68 39881.94 61818.18 12704.87 16827.92 19108.78 28458.79 58583.95 6082.91 6204.24 12911.45 5536.56 11566.81 6234.86 11364.31 3476.61 15090.34 12782.63 4493.26 7559.99 7486.79 2636.12 12393.2 4425.52 5921.87 12629.58 8469.61 7850.76 13788.93 8141.99 12447.43 19816.67 5792.25 25104.02 25006.49 24640.51 24114.39 24122.43 24575.66 23081.95 26644.17 25196.28 Xylose 40832.1 78904.87 143205.6 58419.14 34967.56 40986.15 36514.04 33304.23 98949.2 46700.05 95189.56 26278.73 27269.59 34266.7 59651.52 145035.22 122340.4 54906.45 32101.2 17901.16 41184.34 13933.21 31436.37 56444.31 57216.27 119891.38 81978.53 34479.03 31487.01 819.03 13318.11 28422.91 16959.26 40326.51 53567.5 36759.05 102712.59 38728.15 42095.34 121045.43 11663.58 17494.46 104735.95 42893.1 47857.01 69020.32 35649.84 13708.67 29456.7 58977.01 40074.83 75192.37 73743.51 89351.6 66615.41 85622.92 300799.91 133585.84 33433.02 35793.4 68446.64 37304.94 100831.63 130109.19 68720.97 86748.1 62073.23 111272.32 61309.85 80277.63 54611.63 74965.99 82151.53 129872.89 97290.93 66368.9 66253.66 66526.6 65855.32 65869.28 64074.07 65860.97 66380.75 66972.57 LPE(18:1/0:0) 67780.77 58405.23 89000.61 44555.4 66777.03 108381.32 41059.12 130812.21 106665.88 35294.23 55522.6 95992.49 109132.84 60705.42 84414.86 52905.83 34855.67 50938.95 11432.86 53765.71 106683.64 5462.99 50635.81 48216 67159.59 44290.64 98435.63 47145.7 59699.02 53436.57 144121.12 157826.66 41699.34 60820.58 66681.39 73227.71 67956.69 36522.35 96296.81 39775.07 174660.05 90443.9 32340.95 46584.68 61723.23 59848.38 83648.12 51043.87 2824.82 28871.35 83158.38 56828.07 55910.22 62252.14 70193.22 61163.04 83137.02 61861.98 72599.01 34707.64 56811.18 24624.5 97716.34 58900.22 64909.45 81510.85 92982.01 47224.77 33801.46 76203.94 57641.91 59888.28 68451.35 61293.4 78063.64 377215.36 137105.8 339239.15 367105.09 331626.25 173517.4 113666.05 323553.11 248090.51 61918.26 12639.65 90423.29 114880.22 241056.96 51861.27 118387.25 101071.18 285788.21 157082.34 47299.22 150175.81 78752.08 134077.22 158646.78 263447.19 81518.56 77488.84 77638.95 75649.45 77424.72 75658.96 79546.96 75719.84 77220.56 Taurine 457.36 382.8 2851.38 11652.32 7316.63 4048.39 11687.75 4031.63 4147.38 1239.94 888.8 22002.39 15084.17 1074.18 672.69 3752.66 2500.79 2814.86 6791.01 3033.12 4672.96 1636.62 2292.14 471.69 1719.41 524.78 3735.79 2660.99 5426.79 6343.69 3260.64 40627.37 4074.49 2994.41 5762.52 2939.23 567.86 3285.69 758.55 662.14 35212.19 8243.25 4355.65 407.29 3545.35 14169.68 4180.53 3762.69 31912.69 7933.98 4658.09 680.56 1206.75 25499.26 376.15 4353.58 13414.87 1028.85 4651.25 9649.57 442.74 4153.69 5811.21 8218.58 4907.65 1895.68 6296.5 729.24 339.06 543.95 2837.8 3900.8 4943.3 3375.11 13686.94 9384.81 12616.83 10532.97 9485.3 8590.43 14058.1 11971.32 10311.22 11369.51 7187.64 12455.93 9270.67 10671.78 10224.03 9675.96 14440.43 11700.6 10523.07 9453.17 11155.12 13084.62 10454.41 10581.9 9626.64 11599.24 6597.82 6397.78 6397.2 6396.09 6395.92 6459.56 6317.38 6412.09 6432.03 N-Acetylleucine 10037.79 35427.33 11682.68 46730.76 53012.07 35249.25 27955.16 25449 20130.32 10459.11 15240.74 52746.84 294343.27 12679.19 55477.52 16919.77 8780.54 31100.65 98609.35 3511.86 6753.34 7215.4 13943.64 22628.88 42974.18 5999.74 16762.46 25694.54 80340.09 1028.1 1246.53 13377.29 28139.98 37719.35 21040.97 30872.7 5341.95 15690.45 20831.41 35184.05 20774.81 5729.57 8757.86 16191.72 6671.97 67119.46 20817.73 31812.73 40323.61 41385.86 11096.95 9587.73 37112.87 81299.48 13972.94 9335.13 29277.25 13913.14 6260.41 20738.61 9830.99 26064.32 2225.79 18509.52 19515.14 19290.58 9601.29 57136.5 8510.64 7006.61 12174.81 3584.83 22098.96 71624.65 49593.2 30634.29 30505.87 30826.53 32492.61 30334.82 30194.68 30805.49 30318.78 30324.93 Malonic acid 1599.5 1665.83 8582.51 3259.16 4004.99 676.56 4697.19 5289.75 2281.4 2570.61 1987.03 1756.44 2560.26 3589.3 4248.96 4576.64 4330.79 4730.95 3693.83 1087.06 4001.82 7412 2318.94 2757.5 2222.54 3269.06 2588.52 1807.73 1700.03 781.09 760.99 2690.22 996.76 2110.59 1177.49 1185.78 727.75 814.7 1382.25 1878.81 472.03 580.2 2871.28 2080.31 1395.03 7306.71 5176.35 5812.78 1162.53 1210.39 1002.04 1862.9 2821.47 2627.21 1761.82 1774.78 20176.55 8011.05 1539.11 1316 4618.58 1808.39 3384.89 4155.5 1804.33 1949.39 1135.58 4619.85 2495.43 2061.78 1543.31 1924.73 3286.66 4769.55 5873.29 4727.67 6106.02 2869.14 1605.31 1731.57 5185.47 5036.76 4652.43 5953.24 13248.99 7825.63 4352.14 6003.99 4428.73 3428.22 4051.91 5749.91 5111.89 5132.6 2527.56 6009.48 6089.45 3866.23 4992.78 9015.05 3352.98 3345.02 3347.67 3356.77 3309.61 3121.61 3272.12 3318.6 3297.67 Pseudouridine 116363.9 90123.93 508866.63 184899.21 73521.57 1951.98 113781.77 68130.92 92377.8 89000.94 387934.96 49389.36 100368.39 117210.5 106522.68 128959.95 129424.21 62965.56 25133.96 36477.59 77893.97 627.65 86339.89 168454.37 88515.34 77436.69 84074.7 92908.93 79324.15 1000.49 60238.33 27706.64 45382.57 118774.2 387643.15 39955.94 133147.74 129744.73 120713.5 311423.72 1303.04 40693.06 202787.52 170947.94 78479.34 133445.43 57584.09 35274.84 72696.51 73246.46 72251.24 75178.44 205833.42 209377.97 84750.61 128905.23 366713.47 305092.39 63580.74 65824.57 241696.98 124469.97 290992.99 461807.45 172440.48 121838.86 64700.35 115886.93 129013.44 101801.7 109094.94 63230.18 326546.42 469390.42 260656.76 7135.09 5612.28 5135.69 6514.21 6977.91 3963.34 7893.88 8971.15 7821.44 5679.73 11355.3 5641.65 11785.51 9283.62 8590.14 11327.49 5743.98 13709.58 8441.97 9749.21 5460.14 10292.78 7245.4 9323.74 128873.85 128884.04 129284.75 129426.54 128882.21 128872.99 129425.51 129428.21 129966.25 2'-Deoxyinosine 450839.03 344068.09 514687.93 543311.79 332989.27 25602.28 686604.64 567956.37 327253.32 206233.31 240644.61 366208.01 198946.53 225027.57 552740.05 419943.81 249988.82 673670.41 80702.25 343046.77 410326.51 145702.93 333986.07 266395.94 435866.69 187096.72 166679.44 101825.9 503165.45 412734.71 527578.82 38304.83 272787.11 314821.26 206736.39 329983.56 514634.8 160573.12 358984.6 526914.95 228364.67 83832.26 314707.91 154496.63 249690.03 613496.44 533132.51 353581.69 81552.1 163378.14 344388.41 460806.2 350067.63 535097.31 494943.09 381418.02 497835.23 339736.99 360635.96 244555.79 227298.03 581656.18 403003.79 500286.45 162580.75 611839.23 101455.24 216230.33 307613.54 569681.26 342962.37 195726.52 412911.96 552052.34 884662.76 362566.75 361401.07 362764.17 360965.41 363975.34 360542.89 362765.71 361415.17 361562.49 Prostaglandin K1 1821376.3 420525.95 11106.69 119376.6 1949563.6 373142.23 386823.87 1509964.26 2430424.51 313765.73 684329.06 3358339.27 1191180.19 814183.5 749818.15 965194.11 162395.67 810718.23 1024681.08 1184146.48 2248956.39 73405.56 240544.31 430196.29 1967084.85 835312.26 1192626.33 927516.23 1012018.23 1185492 1002150.31 482073.23 240176.43 314929.8 490966.78 920260.75 1421517.81 68618.69 133015.51 227159.71 1071085 1772451.4 164161.41 224486.65 1746180.2 879655.93 2141866.35 725526.31 569097.85 1883866.68 1235121.23 347483.81 205049.01 732972.45 799367.58 234429.87 125722.11 100178.11 357900.87 31755.13 162431.45 295071.48 372364.49 148982.63 230190.51 1350640.79 1082385.48 2066535.99 1589390.2 845792.7 771551.72 270181.18 526073.88 253385.94 1365921.69 4674.14 16411.83 13254.57 5369.5 6026.38 8413.65 8836.93 33732.47 22336.58 13571.67 12571.02 8143.54 15309.42 27722.55 11039.84 16443.28 12079.43 4555.18 8073.56 12828.7 12232.67 15983.83 11340.04 10163.64 13661.47 893986.61 904331.52 903632.84 894427.82 894220.37 894406.17 892376.67 894112.73 895341.33 Acitretin 468153.21 408679.71 633063.82 660839.5 1398986.7 426860.81 450056.95 450695.66 419637.76 621247.79 733370.38 402261.18 413691.52 486806.15 327433.17 741436.74 457843.77 361573.79 407303.6 357510.52 537681.27 463855.98 662587.74 468963.22 448399.67 479593.87 574810.05 561642.26 398824.07 694384.11 331350.8 411479.53 608356.38 556180.91 720365.47 401928.03 579931.02 502243.4 614049.83 576908.22 314117.19 429724.19 502671.2 564136.73 375964.2 530875.41 422551.72 424457.07 477793.36 428631.23 403048.85 463721.1 610414.32 520448.39 498491 392107.33 599470.86 509019.36 547744.08 455561.24 632837.36 555755.01 431849.77 552899.57 410954.93 446598.96 388521.82 463039.91 490356.03 475423.07 480103.17 470269.64 473103.71 500854.31 526109.17 18799.54 19612.6 17873.95 14628.96 28258.84 32185.47 24556.06 17274.84 32590.23 13430.52 20283.09 25143.96 21308.82 22309.25 25137.39 33977.84 28923.32 40344.72 46479.96 47161.38 39919.19 35649.73 27857.29 43688.15 25407.71 549476.19 545374.99 555428.8 546264.62 551199.55 550156.45 546325.58 551091.49 550917.4 Lactose 1068.6 1668.9 28498.09 2464.08 22022.56 14417.05 2031.83 9809.62 619.52 17157.71 22690.55 1956.27 2265.02 553.08 2217.1 11505.35 76460.96 5666.92 13091.82 680.1 817.5 8070.95 2673.27 1782.1 4126.59 4450.57 1370.18 1545.78 4809.91 861.76 605.7 5064.56 1469.12 13085.22 12666.5 3715.4 2638.15 2100.43 703.86 20240.98 1477.4 6613.42 17720.34 998.79 2107.67 19093.41 4099.22 1099.29 11313.84 2285.34 3717.2 1197.38 32447.96 37140.03 62481.35 1310.01 2248.94 32739.83 3514.26 12252.41 1223.46 403.11 8039.54 45890.14 19173.27 5264.06 1628.33 331.33 508.47 11613.44 9953.45 2782.33 26650.96 79978.91 4038.62 234551.0 363966.96 204015.76 219392.65 267673.28 227314.76 233513.51 256775.99 213880.73 155447.87 194267.83 305774.06 176635.88 257038.18 197260.29 198869.06 207246.75 245498.17 288193.88 272648.68 213166.11 224127.73 234616.81 265974.93 332493.55 15098.69 15088.33 15055.54 14968.71 14729.25 15101.28 15101.73 15098.52 15097.99 Maltotriose 14769.71 8355.06 12678.38 11153.64 50503.47 20314.75 13043.39 14050.35 18400.53 14095.73 9211.31 22604 26198.29 5792.92 10704.36 10795.65 118257.31 12780.75 7927.9 1074.41 13509.42 887.85 3001.34 12653.34 12537.03 5805.61 11233.86 13080.49 8536.5 4385.92 548.47 7079.94 655.71 8551.97 6878.95 6785.2 13982.45 8275.93 4612.04 6821.19 5020.7 19951.44 6363.99 4693.27 8558.64 20132.28 8340.92 501.07 5879.6 10573.76 23968.64 810.83 12404.89 16334.68 102264.05 5217.54 13046.34 14909.33 6466.44 12852.12 4161.01 1055.76 11246.7 21241.64 7160.98 21028.44 6779.11 9314.34 4446.87 15007.84 5660.52 5928.58 8926.01 58986.36 8307.29 16880.57 9508.1 15925.42 13548.57 14930.67 9458.2 13406.15 13846.18 11229.98 13886.06 9166.92 10748.07 12721.12 11456.9 8568.7 7266.29 8993.94 12924.06 13802.17 14397.45 13893.4 14728.73 13734.45 13209.51 13662.1 16275.94 16217.61 16127.23 16195.99 16154.97 16127.19 16187.99 16067.94 16370.39 3-Hydroxyisovaleric acid 8553.88 29044.21 39785.87 70579.82 2755.82 10609.4 35181.81 4309.02 15659.9 4414.27 19891.8 17251.02 32994.98 25348.61 28991.29 39874.2 25008.64 6268.48 5810.65 1533.11 10532.59 2304.52 11344.48 47454.5 1866.36 6780.07 15551.08 1895.85 1078.18 718.63 5206.15 5619.46 1001.29 6237.08 11310.76 6325.35 7073.88 8156.77 19848.16 6167.41 6790.52 5392.24 27301.76 43888.47 7154.64 22945.34 3741.1 6517.51 6131.34 8110.91 4782.33 24639.93 3108.21 12038.25 25907.6 25565.44 101715.18 39284.77 3266.81 11656.47 49551.1 13469.47 34637.95 10258.84 8947.95 24311.63 36884.93 22157.31 22710.79 6978.38 13817.46 9983.91 10091.73 13510.06 33823.67 16327.16 16536.31 16383.47 16045.74 16214.1 16687.79 16318.01 17195.77 16525.89 3-Hydroxybutyrate 8783.1 8220 7396.19 5527.47 5719.19 2978.2 5919.93 6283.91 20771.84 4658.47 12148.54 5020.45 18750.07 14133.04 17566.17 3887.94 5649.41 2973.65 9973.03 6321.74 3709.45 2863.27 6330.54 9537.05 7282.28 7282.12 9810.93 7825.79 4180.07 4370.51 961.68 5292.36 740.7 22882.07 11039.57 3024.25 8343.83 2028.22 4588.02 15654.08 3254.06 4248.47 3799.29 13646.91 5091.16 4231.58 8006.35 6488.57 4263.21 5001.89 918.46 605.31 5228.67 10370.14 4796.25 12382.77 7143.04 3554.13 5817.89 1802.4 11973.3 3774.67 19441.54 3034.25 3393.58 17322.14 5032.49 3545.27 10036.07 10031.01 17737.31 3230.49 4842.51 9103.39 5695.23 8351.35 8767.02 8559.71 8768.69 8718.74 8831.89 8751.21 7800.74 8861.4 2-Aminophenol 66000.39 75829.15 18296.86 30607.79 105845.52 125438.33 67371.87 117177.99 116923.99 58935.69 80843.59 39281.11 34653.48 32575.72 99161 65836.18 42145.18 74348.92 47439.98 151917.7 104079.74 116153.3 30895.31 53800.56 115605.93 120981.55 49263.48 39370.11 54847.15 7885 63855.51 25998.49 33168.28 13515.69 38937.37 38516.43 54516.28 70236.38 30773.24 36448.93 42518.33 46939.81 29385.91 36394.57 39885.22 43435.47 50359.68 33032.84 26355.52 46840.54 54919.07 41008.02 33699.89 34640.38 36161.12 71538.56 23133.96 22850.92 71521.76 635.38 38145.2 20252.27 23933.15 28729.94 39230.67 53213.94 54312.21 27666.3 53650.39 78636.85 90457.39 59066.43 24663.66 25439.45 56583.43 47225.27 48226.33 42832.22 45655.75 47473.16 48247.28 45721.74 47839.54 50048.52 cis-EODA 3965914.58 1983461.32 2484463.95 3529201.66 2489078.18 5532112.84 5217326.78 2210607.14 2636515.28 1605928.35 2461207.71 2769275.06 6528330.4 3547866.47 1919026.43 7702936.91 4893571.56 2870012.67 3718087.88 1966853.53 2111059.36 2574496.83 1830866.19 1717702.09 1854861.23 2680569.85 2240346.08 2292703.28 705458.01 1163521.73 1336305.66 3402078.59 1209196.26 1833267.24 4044191.22 1795040.39 1843827.85 1249517.07 1346841.54 739350.86 1927099.86 2609927.81 1220261.24 3996418.92 1689646.89 2395183.52 1769688.09 2428474.97 5497992.95 6106107.08 2599353.84 1432683.75 779340.1 1205552.1 3616681.74 1372322.62 3232934.41 805392.87 763214.05 614413.81 1786930.59 2984020.42 1954104.62 779468.22 640302.78 2557923.27 2153797.32 4609888.04 4979146.08 2072575.29 1622959.91 2078894.23 1461593.13 1841835.1 7346634.51 26235.44 45776.31 42218.51 27917.88 18801.3 37084.96 34683.06 118957.32 130855.28 38033.75 39140.44 35358.95 58288.61 89313.77 22705.19 89221.37 23845.96 22056.64 23268.74 28864.16 36134.73 33787.65 69036.58 28928.65 30178.68 2636358.17 2691715.57 2692044.63 2679358.53 2636115.33 2691415.79 2636046.3 2696850.86 2692016.19 L-Tyrosine 57132.65 44757.78 157262.07 67581.8 144761.95 64245.83 222998 107951.26 71788.34 77459.38 108562.35 81465.53 40938.72 76359.54 116597.62 97025.29 90921.69 89820.01 38725.55 109061.02 63704.41 36831.22 99909.51 116540.57 102939.17 69033.72 56549.4 82632.82 81386.19 20754.05 66426.8 67422.94 58061.97 85216.27 92284.14 48090.71 76593.51 46794.01 61192.99 113720.35 16702.72 30672.9 43505.94 28926.8 44932.37 195315.92 79729.39 64173.22 103614.34 79523.84 104028.83 30247.29 159225.16 263801.54 114827.23 30010.66 134096.87 162407.08 54438.44 66657.97 80062.49 48467.52 105335.69 273699.29 141771.42 101963.71 26196.45 63967.56 16774.04 91089.25 43680 27113.34 140839.61 251294.09 106447.86 19815.23 23669.41 10491.65 33011.22 10842.29 14652.55 15624.45 8243.63 10756.24 27790.75 40398.58 10621.88 16619.68 9053.4 23541.17 19465.63 22448.02 27942.9 10706.07 16942.01 29376.06 14862.8 16061.2 29151.47 20892.11 95383.98 94221.56 93816.56 93080.53 92821.89 94289.35 94263.05 93037.16 94275.2 Pentadecanoic acid 432429.15 277075.32 117016.87 218823.31 273351.24 561955.73 441691.18 344286.6 464594.97 297784.89 468269.95 768846.77 273529.68 278495.7 230353.03 241865.95 114823.22 312568.99 343485.88 494430.42 299154.1 368014.6 308470.05 222604.74 412203.97 375369.01 360438.92 424606.14 533754.74 427119.22 631391.31 516304.94 422148.56 479731.43 228000.17 421715.63 347200.23 378399.2 263990.97 281261.44 320843.33 637889.17 279633.26 281143.52 533417.79 343483.01 453179.86 439281.76 436659.73 612673.11 522538.41 326477.52 325518.91 439808.62 207831.44 197308.76 98044.29 90987.47 239270.82 182526.12 248327.4 291160.53 245273.28 278065.18 245267.58 335856.52 557387.62 314465.94 367087.37 363125.06 494079.05 443422.9 483988.06 337083.67 421697.87 378558.48 377990.77 386487.91 377913.06 385864.5 368286.89 376881.03 387869.38 395819.15 Dodecanedioic Acid 980203.4 928123.09 1455212.7 1391160.29 1081317.13 1240485.42 1894227.93 1349027.79 965548.48 3033856.1 1934554.14 1818916.7 4974883.67 2972523.97 944698.83 1726009.35 1144432.34 959878.79 2383533.53 144387.21 827298.42 786659.73 2550634.14 1521651.8 1321292.05 1462229.7 1681881.45 1971359.54 1337180.51 299085.29 834021.96 3231730.83 950004.45 2242481.01 1674574.95 1361504.45 964032.79 1364883.76 1729551.82 1231347.7 541848.96 1900099.28 1810276.23 2377575.47 1057956.86 2746127.04 1022395.91 1856568.34 1663939.1 2656177.75 2202097.16 1413909.11 2232056.85 2150062.25 837885.76 1187306.76 929768.84 802113.3 858161.75 481395.1 1217573.34 1541067.75 852490.48 1376700.17 1102538.32 1355628.5 624160.55 1693689.26 1540964.69 1028942.03 746030.05 1908935.94 1471799.12 1650891.54 1806325.95 1326.17 511.18 560.36 5095.48 1474.32 579.94 532.31 893.07 913.84 609.79 1017.46 814.64 882.08 959.2 2388.61 5141.41 1355.32 2045.28 2026.9 2625.79 4579.38 3862.03 4244.04 1531310.63 1519023.69 1538305.65 1531147.77 1521864.73 1531393.1 1531462.63 1521902.67 1522923.93 Inositol 3810.65 4611.73 9354.84 11838.69 32669.87 39736.3 102513.42 2595.58 32287.42 3868.7 6701.32 22283.22 12261.68 5193.42 5278.5 14571.72 26013.06 1516.87 3718.59 1203.65 7006.66 3332.77 7557.22 7021.6 4718.42 9200.99 8467.49 35188.79 5032.01 16348.55 1603.82 22204.72 601.39 16386.64 9983.05 6934.15 2152.26 7954.29 5681.54 9557.12 43331.54 8318.34 7757.94 4731.01 4480.77 32249.59 4200.19 3710.34 6842.27 10891.78 8707.13 5540.67 33231.37 48682.8 23916.36 6033.91 7681.41 21651.37 2357.73 27167.5 7421.02 8271.89 5629.09 14774.34 5747.16 7949.62 6002.78 4262.6 4165.81 1416.34 670.14 9549.99 5838.89 13117.62 32143.65 15599.06 12371.18 14260.89 15635.03 12961.2 12528.2 13669.69 14150.42 13471.73 13709.25 13098.78 14131.63 13654.83 12965.67 11582.97 15067.38 12996.55 14547.7 14131.41 16192.23 14311.63 13375.81 13524.03 14497.67 14011.38 12549.47 12656.58 12638.54 12940.5 12655.32 12639.89 12654.74 12550.05 12553.71 Phthalic acid 27383.34 27744.74 24422.34 26989.92 49066.64 41169.77 48346.79 37364.78 39584.24 34869.91 37342.08 34698.46 15344.43 23390.32 44884.7 47632.38 44957.98 35636.92 38907.71 57261.67 43467.62 23330.34 23861.17 28737.05 28673.82 33257.5 31215.39 38996.53 29087.52 13802.02 30942.57 33058.31 23567.49 20757.29 36934.43 20621.44 41127.74 24609.86 23953.3 23621.76 24516.76 25645.34 24352.36 17231.51 24366.51 12090.11 33691.49 38851.49 16661.26 52291.26 17262.82 21435.58 24262.97 23418.29 20698.67 23036.28 24209.76 21649.01 28665.15 17013.55 15964.93 14618.39 19786.16 26256.36 30858.99 25033.42 27933.77 28761.69 28095.23 28714.39 38665.31 36597.73 39099.2 27859.23 26543.47 33095.77 34239.78 34845.8 33017.38 33099.41 33112.45 33169.37 34289.19 34509.58 2,3-dinor-8-iso Prostaglandin F2α 14685.54 526.61 1261.8 272012.97 1153352.92 1861894.56 1180630.16 11526.82 240.21 3986.9 5296.37 16152.83 415170.17 2741.07 129.7 56201.39 14892.89 154.35 980.16 872.85 4862.77 549.99 211.76 164.88 7185.42 10790.44 33858.16 8348.06 1263.83 13123.51 122.59 24673.3 29382.78 25510.2 20371.48 17584.85 3044.45 19099.85 6128.23 10492.35 533775.05 74384.65 166.53 3393.86 1047.97 688784.04 143.31 92.96 12067.29 34979.22 40318.83 9386.83 8264.83 42471.32 171377 351.13 204.09 195.08 8081.14 32925.12 139.93 19433.51 12114.82 20238.57 18057.72 32330.4 79.38 419.54 3768 134.63 237.55 5605.79 103.34 11568.08 63973.8 149156.17 148652.95 148412.96 146965.82 146366.49 149177.87 149164.47 149160.33 149173.47 L-Alanine 13048.77 24500.34 34295.11 50329.74 37152 21890.7 55289.16 11630.42 17305.03 8980.31 17697.67 12961.61 32922.92 16202.43 17088.98 30648.18 20675.12 7372.08 6899.06 5022.44 11751.51 3267.88 23036.92 16970.73 6908.82 6159.24 10902.62 16320.95 16623.87 5877.64 5906.13 13423.2 4725.91 20190.22 14474.14 4652.12 8009.25 7449.28 23048.79 11436.22 12768.93 5887.68 11048.13 16490.76 6429.51 63527.79 5088.22 7044.94 18130.88 17310 17996.48 15118.83 13098.44 49672.59 19954.54 12708.12 38103.57 14038 7689.27 20578.77 15480.91 17847.95 23556.69 24091.1 9428.65 19488.45 11550.85 18106.97 16522.01 14792.27 11311.37 7466.19 16054.3 26052.98 60141.22 19494.38 19307.7 19225 19321.77 19165.93 19217.04 19295 19233.16 19218.84 Turanose 8408.36 375.52 6931.04 1464.38 14951 7506.51 1090.37 697.99 15692.27 30522.95 27986.42 14816.32 9553.96 646.39 8753.96 8197.84 47720.02 627.95 1691.39 5580.1 1075.49 7586.84 9677.79 10462.29 2943.06 2590.48 5535.67 5792.7 12548.04 301.4 4472.36 9109.11 10487.99 16235.69 14761.78 6425.02 8585.07 3034.81 3985.56 23591.78 1720.68 5760.05 17748.83 2290.18 3050.72 7776.82 7654.73 3011.18 18004.53 4976.73 7398.85 4128.2 34414 30331.99 78256.89 1783.51 8656.02 33405.81 6727.33 15898.07 1170.76 488.85 4676.07 28401.05 14716.72 10117.17 352.82 353.9 349.46 5040.67 8525.7 4600.03 24227.76 49461.81 469.91 228189.17 253280.81 200898.99 250745.73 181623.37 251795.81 251871.24 243456.23 240664.99 236961.36 256429.45 232332.16 230295.3 214348.67 243765.33 228846.28 232491.57 215687.91 230907.03 237692.82 231993.26 229930.44 238189.36 198346.9 238750.6 20110.56 18538.81 27498.9 22082.57 23180.83 21527.37 15408.33 19822.98 23908.87 Canrenone 1349146.07 1244622.13 1875977.18 2117584.04 1506395.26 878794.51 1058568.53 1317756.03 1341555.22 1628075.22 1558983.14 1257000.62 736284.85 1335529.35 1051157.93 2201636.24 1522283.79 1238770.25 1159553.75 1046307.42 1360617.6 1337229.15 1746523.64 1400484.48 1299935.73 1451316.33 1553587.98 1460219.97 1098952.58 1810096.64 975238.02 1265830.04 1768805.33 1396300.27 1616603.52 1169138.75 1629213.08 1604785.66 1699658.69 1793642.49 810875.22 960442.99 1470515.48 1730238.76 1115519.39 876000.91 1169306.38 1357903.26 1288954.73 1179697.81 1239206.72 1461353.04 1527184.61 1488039.52 1065741.67 1199542.79 1931327.82 1445324.08 1396474.43 1401347.1 1722053.43 1626158.74 1393871.17 1601624.87 1369414.25 1352979.65 1080583.48 1255211.76 1405447.45 1421169.26 1549584.94 1536271.91 1472203.92 1504496.15 1541218.85 70888.81 97132.4 61632.63 46929.45 135869.36 137858.3 85034.61 76244.13 203588.78 23226.43 60901.78 100896.63 70701.08 151265.13 79650.11 151330.08 110351.48 123174.65 138009.44 212313.37 119073.56 129518.88 81085.51 154569.36 74724.34 1358562.62 1255719.02 1256191.69 1232319.45 1249013.81 1256737.98 1219262.59 1231792.71 1256576.38 Isodeoxycholic acid 3573243.99 845758.86 379241.66 936654.74 972667.5 420879.52 672954.81 2046396.89 4583218.94 1785271.47 2290918.75 565442.69 637275.07 697807.44 737802.01 579164.26 211345.17 314372.59 602768.9 1055707.19 1341319.22 301246.07 930541.54 1865350.61 884882.23 1388250.67 2242400.55 3111567.21 833781.45 549423.24 635281.25 763407.3 445067 1746672.53 1539503.2 673138.65 1270940.83 999170.51 603037.4 721488.17 686710.3 3107024.27 500694.78 1283163.96 1987229.93 1691355.62 1178144.41 232360.11 3234745.91 1375076.49 2046645.1 406259.27 547291.05 804834.5 1729353.28 494572.35 129674.69 796879.48 448783.82 129749.34 752357.93 320593.68 3133067.73 481477.29 238296.63 2358426.04 1651437.66 640637.42 857604.98 677942.49 2768316.2 2672735.75 1495745.56 371288.07 1131358.39 1028080.98 1068505.56 1035556.04 1059058.21 1015868.34 1068317.98 1025936.63 1018512.47 1068852.67 Nicotinic acid adenine dinucleotide 13174.05 13405.62 5942.24 26093.1 7791.34 3663.07 12836.37 15756.13 18714.7 3990 5967.89 14864.98 14480.63 3046.39 14432.08 7443.21 3299.3 2610.02 1359.36 826.18 36800.47 21902.73 8520.21 460.03 2324.82 4902.54 2429.88 9629.27 3454.76 5163.11 3542.21 2180.33 616.83 15770.1 920.24 3644.27 8384.81 8519.67 8062.85 13451.39 5665.5 4931.42 6481.36 5853.55 1704.09 36633.45 7148.56 1851.69 2419.14 931.98 7683.68 785.08 8786.95 28415.83 522.72 5552.95 5676.78 5429.46 11691.48 8360.44 6676.79 8910.13 8505.12 18466.46 4240.68 16181.09 11345.75 6631.62 14134.6 6272.85 3791.1 4483.86 2806.24 17031.15 23458.71 11147.22 28440.6 15877.1 11970.04 5938.49 15010.47 17635.38 11284.88 19091.79 30143.04 32855.95 28544.38 30095.69 8424.84 37448.05 8755.97 20945.15 16663.19 11751.17 19237.09 13070.63 21349.45 18650.24 20914.9 13057.27 10103.2 11113.72 10095.89 10628.19 10623.25 8214.34 10637.29 10118.26 9949.59 Biosone 1369450.14 1569639.18 1658614.74 1654375.78 1138657.7 1228203.42 1210398.02 1386833.68 1509573.76 1793522.02 1768996.42 1010162.83 832390.14 1322088.18 1092985.01 1345577.37 1833866.01 1383007.91 1086204.65 955891 1587683.81 1330493.13 1530710.08 1124951.76 1187965.93 1608950.38 1425601.54 1205455.7 1081951.88 2292617.86 1151326.05 1280543.32 2375537.96 1402723.66 1827589.34 1425029.52 1805603.95 2048025.91 1963556.08 1906406.42 1541444.46 1110770.59 1303653.47 1982051.99 1188609.19 1227092.77 1239436.1 1628836.54 1320207.5 1014169.9 1488533.68 1519891.91 1313349.09 1217717.92 1556084.23 1410884.91 1991504.5 1762871.09 1647310.01 1839258.99 2101461.61 1492096.18 1602470.85 1637504.74 1535024.53 1378814.41 1320180.46 1357703.12 1584791.24 1694670.18 2072958.31 1651508.86 1859266.85 1769017.47 1630244.86 1609842.13 1609289.91 1631903.18 1631936.68 1621238.88 1635291.48 1607925.11 1631982.86 1669996.89 Thr-Asp 17169.25 59468.31 43341.93 67958.2 130908 32666.82 59491.26 78454.75 84312.64 31283.24 15394.35 30192.98 5885.76 12108.21 139947.18 73299.16 49099.17 69892.74 47314.56 67266.8 27981.16 19885.8 12842.27 37920.2 96314.35 58671.88 26323.87 7047.16 38015.34 20655.11 13547.72 16206.33 35342.69 8416.01 9756.13 17698.2 41966.99 10590.58 7223.27 27143.59 3052.38 10931.53 35552.32 8480.02 18375.14 26105.08 42022.53 22683.65 9847.21 23033.66 26506.28 15016.25 11247.29 33804.22 46644.5 43277.67 46947.1 55382.24 40050.61 22275.39 18725.22 9035.58 75823.26 52377.89 71503.03 35511.26 22993.04 10235.08 17958.98 71454.72 63091.01 16294.95 15330.11 79038.47 27448.44 44600.81 45996.93 43995.41 43887 43931.27 43931.24 44630.52 44663.33 44381.61 α-Ketoglutaric Acid (α-KG) 182969.48 94241.32 202902.96 268167 105464.43 33992.53 185362.86 67071.55 89709.3 32731.69 194255.8 84832.99 124035.16 166228.8 55888.49 125710.19 167252.89 51836.06 14072.99 18529.93 162007.63 1624.6 124049.17 166762.1 41924.56 27427.73 69381.37 65783.72 12328.5 6540.82 35655.85 24547.05 4467.88 78356.52 67675 10373.5 83043.15 56405.01 149280.21 38497.77 17472.08 25048.55 41584.48 115969.47 50851.88 233906.25 25878.19 8980.35 31754.94 28739.01 98889.05 103216.68 65961.69 118466.77 141350.61 73228.13 200906.66 72386.25 30881.06 23944.04 92567.43 85009.08 154353.45 46343.69 24984.95 116383.44 60711.69 50617.6 116670.66 87347.18 54550.89 28620.95 138972.08 110051.73 194602.09 12403.01 10341.46 8623.62 5085.18 3254.09 10606.14 13299.02 6802.91 11833.25 10584.86 13606.43 8034.43 9307.42 4782.84 3633.71 3841.53 4976.39 7460.16 6056.06 7606.92 6677.67 12576.95 11807.02 15134.82 19900.64 82029.22 81454.6 82260.06 81019.93 80487.1 79696.98 80033.18 81463.38 80515.89 6-Hydroxynicotinic acid 3509.24 2928.7 2856.65 946.59 9612.84 13298.02 45437.75 696.32 6243.97 5274.71 7687.36 30283.29 7599.76 4041.18 628.17 32621.85 6292.48 646.98 7295.79 7121.89 3242.55 906.11 3683.78 6213.68 524.73 556.65 2802.41 4863.1 3559.34 11415.66 8004.21 5338.98 2276.59 3148.65 2946.34 5859.92 4110.95 2320.06 5490.31 3081.82 4970.09 2793.34 5209.14 3918.29 1270.09 55779.99 638.72 7583.67 788.96 5414.8 1485.86 1495.9 11712.98 1053.37 2622.5 2117.34 9742.86 4483.92 4497.1 9852.94 5472.75 20907.93 2893.31 4929.46 4889.33 2035.17 5119.8 568.33 5755.31 6249.9 3327.95 4266.69 4849.69 2426.28 13447.14 4612.65 5806.93 4543.31 4676.6 4314.44 4332.02 4694.71 4722.39 4218.36 21-Deoxycortisol 319599.59 351175.43 471147.95 411946.1 321062.08 320722.56 504388.5 479699.96 433704.7 484214.03 459839.3 608820.65 954614.74 1053650.04 413118.96 370375.08 260247.26 339919.28 791798.88 271321.9 488508.24 520663.95 595219.09 399867.4 362241.75 1058042.95 296378.51 364180.69 577743.59 333398.18 631805.68 1402683.25 264463.87 787910.98 567319 437773.08 167535.71 769992.4 410335.11 498156.29 1056815.15 654180.27 543905.99 606502.99 626006.07 404802.99 168048.57 384463.49 634033.38 853525.39 360203.21 539358.41 643045.69 605053.04 446480.21 381700.46 483074.2 400520.27 236074.4 326869.91 387448.25 358501.19 500615.73 478020.24 483411.46 689591.84 460536.77 464919.39 684633.88 287532.36 295597.35 503713.46 755360.49 456206.5 416395.93 584358.97 600953.39 599630.3 601706.15 600927.32 601145.37 587888.99 589062.35 588784.23 L-lyxose 24289.1 30310.74 75889.15 49496.19 22203.56 28106.87 39278.92 27581.16 34920.52 24211.85 37510.18 20226.21 32982.63 25456.61 38355.72 45446.97 36520.2 44837.81 20727.24 32152.88 24947.26 27745.74 31755.32 32290.17 28352.03 37403.42 26256.45 24406.91 29668.41 4192.61 26604.41 4596.06 23781.47 49956.8 42747.67 23069.56 38787.49 39932.89 35625.04 55309.86 2480.33 10190.31 44836.99 28487.72 24106.71 49780.02 34020.02 26596.43 25440.6 9269.12 30531.9 39166.58 49982.4 65192.36 28798.07 28105.03 88102.08 43017.12 22362.26 36507.18 34660.71 47980.6 50933.57 73322.62 49116.46 39389.7 25436.89 26679.88 17268.95 36835.57 37535.11 23230.94 66449.03 78271.85 78628.51 38434.12 38615.63 38523.67 38277.1 37898.72 38529.68 38272.74 38290.05 38245.1 Uric acid 31468.72 19899.46 44067.04 12942.18 16729.39 23881.92 8572.92 17892.67 10136.9 16598.3 46578.33 15503.68 82623.79 18923.09 25208.39 20494.42 22858.71 10573.07 24502.59 9207.83 16848.78 19129.77 29176.28 42931.45 16113.08 19087.98 42535.95 22770.18 21961.31 12412.7 4458.87 19073.57 1308.45 53679.99 25568.39 7122.68 15579.86 15026.68 14929.54 19714.69 15297.71 14820.02 17264.9 20723.25 19441.63 34059.68 11019.19 6537.99 51131.49 17952.27 25259.74 8182.75 22587.89 38109.38 9495.07 19162.96 15671.77 8732.96 16049.72 26937.38 16852.04 27011.58 28572.83 15056.16 5688.71 24709.3 16781.24 25605.72 22063.49 15371.36 17751.67 17779.2 11123.98 24557.23 29277.04 18964.34 18938.2 18982.58 18805.23 18452.79 18981.41 18975.2 18974.99 18808.17 Suberic acid 101933.06 79992.07 49359.92 64728.22 184983.61 95700.27 86938.91 125993.7 97438.23 59080.59 84311.86 146574.66 170502.8 137996.75 100351.92 109618.93 68326.57 198332.94 172291.62 139286.53 90382.2 42458.33 56988.49 71850.06 94957.58 82369 65218.04 83410.01 189506.55 42512.32 247645.93 434318.48 64420.18 72117.83 61713.81 154967.06 116119.03 50287.98 62012.25 58636.2 195428.89 264661.8 75463.93 66146.76 181048.71 123352.42 138637.67 104910.66 113455.68 322503.84 183204.89 125866.39 86890.01 130883.8 91650.51 108620.47 38342.64 35127.26 76046.41 36024 43753.91 43539.99 64856.71 59558.91 64057.14 138341.02 110906.59 78251.47 81049.94 88864.88 74912.51 70726.91 66876.94 80186.46 79798.72 4792.41 4188.99 5030.4 4298.69 4780.45 4967.93 4612.13 4255.02 4467.37 4514.68 6998.11 4064.61 4784.97 4439.19 4917.66 11001.7 5638.02 5598.25 4856.44 4855.97 4942.81 5117.82 4854.33 5574.52 4899.96 111513.9 112026.88 111835.45 111506.41 112027.67 112028.14 111626.13 112030.2 111620.98 Pterin 1246.24 1293.13 15351.86 6666.56 170.74 59021.22 169.89 2042.01 4337.36 1509.56 2147.71 2994.49 157.9 1314.17 228.96 4466.86 6769.12 1329.49 203.32 1703.81 1863.12 61185.94 152.3 3453.09 4352.6 199.07 2459.63 5209.2 1922.4 1550 152.62 3280.99 1847.29 3856.15 3524.12 1160.02 2491.84 55317.09 519.41 2596.24 3413.69 2052.06 168.8 1732.92 896.08 3050.28 1248.49 156.17 2444.08 3394.75 805.25 527.48 5220.61 7065.39 1997.22 1427.76 29478.32 20454.37 1566.05 57499.01 2950.6 1499.25 3472.38 5910.84 2976.4 249.66 2774.77 1724.17 2519.27 2937.02 2192.84 1467.85 172.95 4952.56 3619.22 10570.55 10441.68 10969.61 10573.83 10433.75 10448.48 10426.29 10507.79 10585.55 Glu-Val 35768.22 183079.33 82014.29 128580.78 252268.1 123532.35 67282.25 266628.96 265260.76 99182.13 48644.15 64342.07 21897.44 40378.82 289786.15 96066.15 58798.03 157350.09 77918.7 87961.77 92830.27 153158.97 58856.44 85552.15 276279.21 181071.32 113347.5 38602.62 81825.6 8249.84 38007.05 33634.27 150792.29 38202.43 34643.18 80273.13 108207.91 6068.23 34322.38 78556.31 7617.34 28695.79 114486.91 45117.86 65040.49 51615.8 95082.21 27744.54 56420.37 32680.98 129247.77 27774.75 33965.54 77639.17 123126.94 89083.01 106067.49 126099.09 109540.76 52139.69 27112.19 19137.41 91583.34 70087.32 167987.7 80875.71 60179.03 23873.36 23633.64 154194.39 188529.5 28708.06 37988.66 168524.24 46247.14 92737.95 95810.87 89319.13 92806.11 92898.52 89956.61 68979.92 92730.78 92554.24 Isoquercitrin 798.94 2436.87 372.04 3958.04 428.14 414.37 1267.39 1297.07 484.66 11662.58 9480.85 3269.17 870.71 5019.53 2780.51 5604.19 508.27 3173.96 13616.94 1455.01 15109.76 1371.04 58103.48 31843.13 2388.87 2567.95 15013.67 43831.43 1202.1 7930.94 18195.93 18181.79 1027.56 2290.55 55362.17 1929.22 8978.44 639.09 10114.27 39636.85 2773.92 575.21 27833.28 867.37 6595.65 29565.95 43146.43 11411.49 3920.74 952.41 9449.94 15766.84 36949.94 61873.06 1768.07 10082.77 614.01 3001.98 29157.07 51515.02 18557.89 22797.31 40542.83 2409.7 1754.03 27497.7 34087.17 4958.44 36325.48 10741.26 9792.5 13115.48 3061.9 5208.62 24492.63 14025.39 13933.77 12814.97 14571.91 12318.03 14814.33 12104.34 14029.02 5791.39 trans-2-Octenoic acid 6105.24 4408.64 3594.92 5024.99 8545.38 8206.45 5614.08 8843.72 5774.65 4658.04 9877.3 4715.31 9511.25 4443.33 3239.89 4934.21 2119.61 4022.01 5724.02 1942.36 5417.71 1554.67 4124.7 5107.24 6214.66 5307.26 4563.24 5910.6 6214.52 1142.45 6940.19 7212.27 2119.99 3509.29 5237.81 7358.79 6485.64 3392.23 3759.54 4480.08 6181.33 2927.54 7011.74 3898.84 10547.83 4465.44 9711.32 1898.7 4230.52 7952.26 4480.55 3870.97 3324.5 6805.94 5659.92 4459.5 1152.14 1212.85 4619.51 1488.42 2774.44 4893.82 4408.98 1809.95 1190.65 6445.67 2930.08 3816.31 3688.07 6152.9 3892.64 4736.56 3485.23 5303.84 4632.52 5118.66 5262.7 5304.21 5263.66 5286.28 5090.26 4278.32 5260.9 5051.84 2-Pyrimidineacetic acid 9753.85 4629.01 22490.34 30501.49 30173.59 5718.43 86269.1 13803.96 6570.73 23071.75 19963.7 19728.61 99104.52 25975.77 9828.34 33123.75 24078.22 19463.59 2511.94 1563.9 24222.63 1657.96 17916.4 32489.15 16959.35 3024.7 13272.83 24150.26 9110.39 10894.83 5747.91 10496.65 4089.58 38712.12 24347.79 12666.94 13618.49 7409.73 36551.45 17773.04 7114.82 5329.96 22987.8 20116.99 4412.59 83397.35 14724.18 22144.45 27024.34 31331.43 77860.43 34406.09 24105.38 35495.69 9840.38 13951.85 11670.7 29073.2 7065.44 33400.33 23098.97 35705.89 35690.87 30316 20564.26 25914.7 9864.02 29026.14 29792.34 15321.89 8416.82 10804.61 10694.95 21591.05 96926.15 21609.52 21611.39 20191.99 21602.13 21649.48 22287.01 19131.36 19102.32 21941.56 gamma-Glutamylglutamine 8094.06 16232.44 10597.35 16950.44 30611.54 11208.14 21106.5 20916.36 21511.13 10635.65 10260.27 24979.97 10879.96 7250.17 32772.15 26688.71 14325.23 27518.27 25122.58 22159.52 7694.18 8172.36 4952.89 12299.21 22788.04 20901.11 11423.09 5080.3 13799.59 3034.43 9224.5 13748 12323.6 5896.84 5491.25 8834.36 10261.43 1907.89 2506.1 7598.57 12436.35 6776.21 13807.26 2764.66 8245.54 9287.18 15618.97 13005.68 6614.48 16356.84 8681.05 7147.16 6574.05 14647.77 17292.12 11910.53 10395.77 9615.68 11530.55 18871.86 6799.06 2669.76 16826.25 11042.01 19754.43 13701.71 5880.09 5498.53 8485.55 14412.58 18674.55 6218.15 6614.71 19784.45 10682.85 14943.88 15827.3 14566.03 14627.97 13288.51 15114.13 14950.25 15038.07 14610.53 3-Hydroxyglutaric acid 11932.57 22647.09 105740.73 35868.63 13243.38 687.39 13336.5 4362.73 20309.24 18231.49 26723.13 6236.07 19003.47 11136.24 20162.5 55499.25 109850.84 12194.93 3102.67 911.63 8420.46 7884.74 7395.12 14263.65 15773.47 31500.36 27740.73 9611.17 12610.99 18254.33 1521.64 1470.79 2019.36 2735.44 9999.58 5619 16480.13 12255.74 2802 14354.3 1756.75 1093.32 12821.26 11102.5 3439.38 11551.87 9457.94 534.36 2660.63 3237.13 1864.81 8286.21 12454.83 26247.08 14771.41 22966.29 184797.15 61801.47 11798.08 18663.02 16314 5664.25 21879.65 43041.54 14854.95 16054.88 17688.94 13976.75 18315.42 13292.28 9212.32 10491.66 16748.91 33201.1 23093.6 10775.25 12255.64 11751.43 9084.41 10161.52 13473.56 12860.38 10109.1 3031.92 15768.31 3792.35 11094.01 3261.24 11722.67 10358.42 8620.69 11854.85 15745.82 12167.21 6678.17 12386.56 12887.4 8918.76 11819.93 12631.3 16771.3 16971.5 16595.31 16592.66 16774.89 17042.28 16227.27 16694.43 16595.56 Stachyose 7414 4902.38 7632.6 5660.58 17514.28 12743.2 8612.37 6819.46 11906.79 7397.36 2289.52 10378.38 14294.12 3357.93 5493.48 4716.4 10099.42 7974.58 2101.23 922.25 4023.07 487.06 4046.22 3966.33 7495.63 5038.48 6747.41 8016.28 6953.62 1208.87 1350.48 3888.89 572.96 5071 809.34 4799.22 7815.91 4409.12 669.55 1962.83 1422.64 10905.78 2808.3 684.55 4839.17 10146.15 6623.51 3055.34 4865.98 4986.94 11427.33 3775.62 4986.26 7458.5 15610.13 1254.45 2387.01 4228.51 1070.87 1283.7 3758.44 557.05 6300.67 5556.64 789.7 9028.9 2547.6 4420.6 2485.24 8520.55 1703.33 1068.16 1551.62 12608.66 1175.95 226567.03 118652.89 199896.74 178943.39 179772.19 124044.11 163753.46 197952.28 147033.06 163858.11 99813.12 149234.81 167565.03 172849.55 113773.82 88907.58 104574.99 162603.44 186334.93 187748.41 169255.07 166499.36 177417.31 144339.28 167242.09 5632.57 5632.35 5691.24 5286.45 5692.67 5691.13 5633.08 5741.78 5668.84 L-Saccharopine 26284.31 16867.34 47862.05 77270.47 50981.97 46200.17 104524.91 39397.64 10938.95 56572.73 145395.02 121421.07 138810.52 75661.19 36504.03 157148.91 65948.32 33654.42 133035.33 48687.02 49191.54 25163.99 84942.02 125166.55 33007.97 34702.71 111763.18 112344.36 46103.61 47411.5 31982.67 95177.75 10084.4 49602.74 46483.14 18938.61 24077.08 18365 43927.15 47839.28 25553.32 43844.85 49396.17 35340.41 46238.49 48111.15 46412.29 58984.03 80371.56 89187.96 36050.34 21904.47 35582.53 72915.76 9051.71 15437.26 28422.63 33048.18 22223.08 7624.01 19049.48 25597.04 14163.08 35109.25 43067.13 18484.5 47078.82 49959.53 75974.16 15667.53 13989.8 36045.26 33819.18 47200.15 47141.8 53603.03 53709.15 51317.97 50006.01 53288.63 52371.9 50818.34 51432.3 53662.41 N-Alpha-acetyllysine 18250.83 11149.98 13420.45 23036.56 20715.2 7909.79 12538.44 6880.8 3838.08 11225.84 10845.43 27619.63 125303.44 36645.24 5624.72 7536.02 2484.93 1875.62 20668.42 3381.55 18666.44 3137.84 22149.19 14114.68 17127.01 2844.13 11562.82 15161.21 11556.89 5095.34 3279.69 5374.58 2454.3 21129.42 9987.6 14884.3 11311.9 2193.72 11832.66 9124.99 12803.58 11015.35 9868.92 25406.4 7325.76 16173.82 3697.59 7901.25 15346.93 14153.41 7518.05 14089.53 12414.88 32137.43 14375.03 28827.77 11511.13 8368.47 10363.71 3396.66 7263.32 29730.08 9745.93 11537.42 6164.47 14709.65 3624.32 8007.23 9626.07 17404.14 3248.61 4139.91 6629.08 17702.39 18416.45 12720.89 12512.32 12472.71 12627.31 12512.79 12703.91 12626.45 12628.18 12515.96 Epigallocatechin 31407.96 17846.31 7011.6 8471.71 12394.49 16570.12 5467.43 16265.1 35817.87 26016.42 19803.84 23101.47 9697.29 15947.75 17757.94 30071.05 10440.85 25332.59 28414.6 28120.79 36648.18 27076.52 25940.13 16081.81 28990.28 27133.73 17058.68 22991.15 30755.34 20904.05 26628.01 14390.69 8362.19 11330.29 7311.88 28688.8 25307.17 6034.19 12028.24 5852.26 31191.86 35429.81 13468.32 2588.58 23490.89 17058.84 28091.48 12995.06 20323.54 15324.75 20477.53 15961.48 10485.12 2309.95 13387.84 7210.5 40345.57 4536.55 5379.27 4441.18 8962.37 4973.16 13598.56 7332.97 16526.14 27899.55 26879.65 15324.61 16556.64 14899.93 17847.7 16212.05 19330.78 11475.6 15594.19 1848.44 2396.33 3307.42 1944.4 3398.43 1766.86 2651.51 1438.34 3645.61 2168.89 1983.8 1584.22 3365.33 1240.03 1056.04 3516.37 2339.26 3033.12 2405.16 829.61 3205.79 4307.41 2504.4 3750.15 1843.37 18453.61 19046.24 20194.2 13530.19 18371.75 18658.54 19193.77 18455.54 19156.5 Xanthurenic acid 670.46 526.36 3013.66 5296.56 157.67 13576.49 3632.05 491.71 966.97 435.8 250.44 667.14 503.71 622.13 418.63 638.84 1664.79 678.38 405.89 965.19 592.87 21604.43 583.87 413.89 322.34 405.86 493.48 317.14 445.02 225.44 532.32 427.94 101.46 1712 476.16 321.95 234.21 43588.44 335.56 150.57 271.87 385.26 332.36 447.67 506.31 321.85 545.74 520.49 374.18 394.24 246.9 495.67 385.99 606.32 708.37 340.57 5795.91 3938.1 179.16 43367.21 251.37 550.09 396.58 404.84 350.07 228.77 284.03 560.87 485.17 424.76 306.98 617.43 342.26 622.65 491.83 7625.37 14754.12 10266.44 13803.19 10438.42 7219.79 6610.15 7952.39 7314.81 9102.79 4905.35 8004.4 6209.41 10658.87 7378.91 10525.17 15988.79 8745.7 8476.17 10729.02 13181.75 5801.77 8590.53 4751.48 7565.77 3162.52 3122.42 3220.78 2959.94 3094.09 3148.45 3158.08 3118.82 3095.79 Cholic acid 211884.76 259252.74 854003.76 221233.88 1070713.55 163689.38 252934.82 618251.9 522392.25 43294.31 187667.77 461430.26 816190.07 135029.75 212351.87 736856.77 280363.99 131421.22 1245632.21 401272.35 880024.38 90954.32 517455.16 201006.47 394043.29 204845.5 122274.72 154569.48 1035095.55 242763.83 188073.8 562339.04 847003.44 348679.59 356209.34 535087.39 109092.18 207333.88 198016.1 95485.09 210763.53 656603.12 444512.65 69571.69 606080.25 244750.64 649238.4 713366.24 928628.68 511226 374933.57 238689.23 542467.8 283582.64 685273.33 117420.62 585074.82 152311.47 361616.41 64624.59 414993.64 200117.56 456004.87 482815.4 289926.84 368535.43 25923.55 142961.1 183874.57 438328.62 213049.96 348962.43 301304.57 231443.83 555210.08 4471.42 4808.41 7435.0 18282.9 9360.25 6243.83 6606.42 7023.88 3857.16 2088.93 9733.08 4341.59 10169.78 6268.07 9668.03 15514.05 8207.9 18175.53 19660.6 11476.87 8442.53 2346.01 6067.8 7473.83 5161.4 444701.6 423554.4 444572.49 423172.52 446067.97 444885.56 436579.32 447536.84 448576.51 N-Arachidonoyl-L-Alanine 1012871.13 326444.78 158368.27 315389.41 321948.8 201963.6 214465.48 593024.97 1332331.02 535413.68 762233.92 228805.7 255771.32 329855.34 269721.66 234047.49 82200.66 153239.73 434791.12 481881.37 475664.95 100047.14 203200.9 344580.16 309032.25 430973.91 913563.8 991552.99 328777.5 201853.18 321267.96 456109.49 136025.61 397643.54 282946.76 294869.37 277549.47 298345.29 267269.11 180774.75 293767.36 914254.74 220788.16 391573.73 924705.11 368850.91 430393.22 138730.99 627938.35 599965.83 684920.3 180122.42 236919.88 301918.77 518688.74 252657.09 42061.61 264771.93 146962.07 43988.99 173054.65 128108.16 804565.29 177597.36 94985.49 717498.26 622546.51 319950.44 202434.38 388361.3 733640.65 649983.69 480704.72 257257.19 342175.04 368542.17 368163.14 368160.71 368136.83 347351.36 368115.77 365780.66 353425.33 354932.02 Mannitol 2932.91 80127.73 37016.53 47673.69 6834.95 209117.97 16845.76 5499.95 25538.16 13613.15 13145.35 31598.57 31010.46 13023.48 17762.8 8045.14 17723.47 11902.95 8941.18 11377.17 29401.39 157683.85 16998.88 20407.92 7297.14 24458.56 11810.05 14390.83 14362.15 2124.22 16916.5 16922.57 8252.15 50798.73 13435.51 5788.46 4682.42 175844.55 12711.03 6853.45 2967.51 6766.04 16774.08 13833.42 12312.53 18415.47 8130.85 14819.39 10792.83 4809.12 4266.18 40173.3 23612.47 36146.25 6275.01 16498.12 55113.13 55372.26 7275.13 128301.57 16196.21 30470.94 24346.96 33752.21 20595.22 14197.83 9671.5 7617.5 8230.24 7365.82 7315.98 21128.97 5063.49 40781.42 28633.2 6693.0 8231.59 9223.54 8827.42 6654.03 10984.48 15242.19 5497.87 10251.57 9511.94 10757.34 6874.56 6691.32 5381.74 11252.6 33228.92 11757.03 11148.34 6088.6 13368.15 11796.85 10723.78 11336.84 12104.17 11604.03 35686 35356.04 36605.09 35354.98 34440.83 35360.06 35469.78 35693.22 35646.26 L-Iditol 5626.78 6104.44 18421.57 8321.96 16387.95 41722.47 152261.66 13648.28 19591.58 10580.23 16926.69 17102.14 9547.47 10808 13074.22 11628.81 11640.22 15405.07 6937.21 15590.65 7489.83 5458.46 14338.39 14501.91 15582.62 15647.92 5888.31 10725.89 21744.71 3328.78 10117.19 8856.25 6598.02 13522.45 11798.75 8694.13 11904.84 9837.25 9813.14 16599.16 6394.72 3115.65 6799.04 3544.12 5160.16 36690.15 12859.91 9465.05 14342.26 11877.67 12301.78 4520.4 14016.03 32991.58 10061.56 3166.2 19190.2 27023.85 7536.78 15674.74 9657.9 5660.96 16103 34657.63 9679.35 13024.68 11001.35 7315.25 1758.29 15605.38 10918.67 4306.77 20076.31 24932.43 16833.23 16180.05 16444.97 16356.8 16443.8 16449.41 16446.04 16443.93 16354.93 16399.56 (±)9-HpODE 164257.61 136385.66 772231.09 721690.17 1758441.65 2722013.54 2248934.57 122839.56 93993.99 131819.41 348625.08 319218.6 885518.53 126458.19 399867.96 3139650.74 753674.58 154536.49 228801.48 139176.92 187184.01 181554.86 120804.04 223546.82 89658.4 108578.42 135558.31 89099.09 103664.4 107843.9 104504.93 230175.36 163288.43 215678.03 486415.82 84268.53 150324.18 281455.37 114423.79 318872.32 654858.2 187758.15 258336.19 183935.39 85112.11 695667.84 113804.4 259515.86 166578.7 1284440.06 142622.79 158666.34 184094.86 674541.56 195403.73 345970.08 1201259.73 358713.78 274206.65 717060.83 335196.4 203716.16 167532.96 765112.21 218717.38 412732.2 291031.31 178290.11 280564.7 137748.05 399513.75 202831.08 654105.09 484535.79 289472.24 13227.49 20375.8 16005.84 29870.76 21548.21 28298.54 33521.01 33267.05 27662.92 20941.92 24293.53 16482.79 24614.66 27795.78 10199.73 19935.63 24632.01 12905.69 13841.14 9733.64 12626.45 28530.76 18119.95 12268.45 34204.7 486446.78 475629.91 465866.32 465462.81 490197.55 465837.77 492552.25 492362.8 485795.82 Amifostine 6930.72 7214.88 20153.55 10487.51 2792.65 29596.85 5720.04 3915.84 8378.85 4855.67 12472.72 6867.65 12056.39 6254.4 11091.03 7472.97 4399.63 6227.97 1331.47 4028.91 4559.81 801.18 4131.07 9872.36 5541.44 3284.55 4350.19 6749.37 705.25 1159.81 2469.2 3704.17 7381.31 14385.27 12866.24 2771.16 4764.16 3007.29 1452.4 4642.15 6355.7 5055.58 12075.24 7853.15 2945.99 6501.82 3636.47 4303.11 899.47 2764.15 3865.33 5372.53 5389.24 6931.82 9270.7 11857.58 18685.67 15787.55 3599.29 7353.55 10757.8 1217.9 11778.91 7999.68 7410.44 8918.28 5918 2937.61 5726.59 3840.05 2700.07 3393.54 7005.14 12794.53 5290.56 16230.07 21203.55 28155.65 11482.74 19824.03 16887.83 18874.9 22709.41 16111.36 16592.44 16798.28 15031.27 15369.13 21017.6 24530.66 17155.43 26827.14 15674.64 19868.04 14412.16 22932.08 22852.77 17811.07 22069.36 17474.53 7254.03 7216.97 7293.64 7276.4 7272.7 7223.26 7169.3 7160 7319.91 Ethosuximide 32648.29 21401.58 34516.57 20901.05 35875.3 25095.49 18129.99 4476.41 5923.36 33649.72 3920.38 38453.27 43030.76 28356.89 35876.42 27672.2 19096.82 34284.98 33455.38 8359.9 33397.79 31129.69 31456.35 27927.5 6700.13 18450.51 25980.76 30233.12 36698.73 18757.34 3734.17 3335.47 22607.31 24136.18 23389.38 19269.13 3992.24 20652.22 21462.78 35517.41 20045.61 17395.77 21327.3 19374.84 34277.3 24117.82 31546.56 39246.84 21766.75 37260.32 21141.17 33113.14 26535.61 32434.37 4199 27893.07 16684.26 10281.48 29953.15 16865.72 33539.54 22333.79 39227.71 26245.56 18540.97 5890.12 25152.15 33874.66 52731.37 3397.09 24248.18 27595.59 27775.75 18088.04 23888.45 32712.39 31268.15 33322.66 33585.69 28730.58 32705.26 32900.58 30594.4 30644.56 Pelargonic acid 9543.19 10853.94 25957.47 16350.43 4311.82 27322.17 11294.11 12669.84 12000.45 10407.13 13935.9 14962.88 13528.87 9012.82 12607.75 23110.12 9770.04 12214.46 21059.56 4118.79 7133.62 20535.68 13789.13 13248.61 11979.15 18395.65 11782.76 14123.7 13951.42 1636.55 9381.56 13352.67 12512.17 14945.63 11322.06 12363.6 7952.43 15486.13 13596.8 9494.73 5493.42 16887.6 19130.76 8376.47 11720.25 14220.54 18978.7 12587.6 8374.28 12308.75 8198.91 9578.97 13382.37 13663.3 6495.57 8224.84 16205.01 15989.65 10283.63 26554.29 13902.34 10991.56 5350.1 16727.52 13768.59 16260.99 3598.93 10940.14 8480.09 6200.03 7114.77 12780.24 16462.22 24457.89 19804.92 11855.1 12298.58 12477.63 10860.07 12737.23 12537.46 12481.35 11840.68 12113.27 Sulfathiazole 149854.93 112801.7 46248.36 45678.7 145319.8 128100.97 96503.01 171423.64 245263.11 118388.67 138900.04 102651.25 67177.36 70819.64 135916.5 109203.96 63954.62 156410.06 103670.98 249407.41 221720.32 129586.58 76983.94 97379.27 177242.21 177699.18 71049.18 104811.23 174258.33 48479.36 293463.14 113693.51 131377.29 68558.63 62820.32 146749.32 113668.3 105369.61 56969.89 70054.7 152098.62 234722.53 60282.42 65424.21 160364.56 65642.23 188277.26 99502.74 100317.75 164444.18 127479.94 92680.86 59283.64 74326.03 60003.45 78184.53 51311.48 27898.38 88877.48 58571.11 41887.98 32482.79 61262.45 44648.21 73321.5 123590.43 156965.02 68877.78 89284.3 151537.06 183777.01 127241.13 90058.96 62728.19 83454.21 107793.97 107805.86 108199.68 106979.62 106894.37 106895.19 108534.32 106910.67 106928.8 Cis-8,11,14,17-Eicosatetraenoic acid 183439.77 147398.34 12675.25 22333 267465.26 115807.06 14781.4 387970.75 184955.09 5146.32 19158.14 112993.2 6326.81 13906.73 195326.68 10673.49 12332.88 153813.75 2849.01 356358.43 611596.89 33516.07 35785.06 6182.6 525415.96 140863.95 4513.62 10720.35 196792.63 55454.85 272433.71 161059.55 742641.41 10684.4 15971.51 407420.86 106651.04 97319.24 14874.24 2732.01 131663.73 251372.57 1528.02 1979.36 369785.77 6264.62 340996.7 406728.13 19082.19 6868.5 103492.67 100250.85 2022.33 18399.01 286102.27 133257.13 10779.41 774.7 666791.46 238445.45 6857.17 16970.19 396084.12 19680.39 12329.69 255969.55 162345.15 5413.2 3453.84 516592.17 195244.5 7674.43 14144.06 15988.92 17360.35 1229558.79 1074460.15 1191437.83 1024331.69 722024.76 667808.25 412152.23 961967.32 985007.79 212428.08 201098.47 581309.03 468692.32 893264.34 350931.24 777468.83 360203.51 2376108.07 836911.66 284780.81 856588.76 329260.69 654532.2 990572.46 2512398.53 130389.75 137256.4 137314.42 137026.98 137549.58 133694.29 127052.93 127517.86 137392.84 Clopidogrel 104433.7 120960.45 48279.01 61334.3 183229.96 140988.42 87718.41 144423.88 231984.36 94387.29 99204.82 164520.41 77973.8 67376.2 104005.27 150676.84 48583.84 146014.17 116053.81 207311.02 181782.59 126197.21 70444.65 74505.8 160333.06 134891.72 44915.39 65441.73 141266.33 35475.95 124877.86 85211.53 61207.14 35808.95 32952.8 72199.53 71116.99 73408.62 25093.36 26276.29 73057.44 84627.05 31131.07 28266.14 101408.67 50702.12 153931.98 80472.38 82181.12 114310.88 54745.09 44375.19 39634.68 35807.47 31013.64 50198.07 54106.32 26467.68 72757.48 39248.37 9316.72 19270.17 40866.88 29455.51 47201.7 65514.98 96332.81 40203.96 51784.08 84386.29 74991.04 49824.8 78326.8 39699.71 40681.24 73937.18 71613.6 71490.19 70039.11 71746.46 68325.7 70979.27 71223.04 71698.08 Isomaltulose 2722.71 6963.18 22294.14 5087.27 10559.2 10582.25 23715.6 7481.78 9165.45 22450.34 25257.55 14767.51 16553.22 5930.46 13798.21 11270.35 11368.23 1743.57 34981.43 7480.33 6769.42 6477.59 12835.94 9327.27 1533.46 6912.09 7292.79 10767.54 4062.79 1455.57 6958.99 9313.65 19030.21 20498.25 16995.22 9645.69 15567.71 17717.8 6953.26 23225.65 5218.79 4802.2 23506.33 8402.35 4983.78 11243.75 10568.97 6911.21 11535.57 5204.37 10654.2 25186.07 38890.53 39903.1 6321.39 2180.28 11088.59 880.27 13689.69 18142.15 4545.66 5055.22 13010.9 45986.3 9116.63 5569.59 7379.06 1898.63 6480.86 10154.6 30185.97 7082.88 28496.3 42598.39 9625.61 91390.69 48093.81 66044.05 88453.69 91538.34 74254.28 29404.43 71292.73 74810.17 83347.67 291770.61 156355.64 76258.28 79244.9 96046.21 40479.8 111056.41 97249.67 81878.24 55498.27 104298.45 79630.94 145922.13 66241.37 57305.23 18611.84 17991.22 16001.57 17949.66 20585.86 18170.71 16821.13 16600.06 16750.38 N-Acetyl-L-alanine 7457.42 18030.46 14272.78 24265.91 26226.48 24289.11 28402.06 7259.43 14842.7 4640.9 6884.01 17524.53 29020.38 8011.61 13064.28 18513.51 11844.32 6989.21 9263.26 6926.96 9605.83 5588.25 5307.8 8228.84 8051.71 4713.4 4494.42 1905.85 2500.9 2678.45 5273.2 3343.1 1074.58 5189.8 1589.87 3815.27 5628.47 3960.66 1712.5 4763.45 10502.71 8714.61 5576.69 5453.15 5223.64 15280.18 9532.72 6263.14 2974.93 10882.66 3401.76 5400.26 5848.07 10061.42 9909.24 9310.08 15030.69 6323.45 4606.4 9042.97 8187.66 5534.32 9271.39 7284.49 5903.03 9658.03 7552.74 9664.22 7767.36 8780.11 6054.02 5216.84 5069.54 12319.94 25392.41 1567.11 1012.97 2778.46 1118.16 1544.04 3741.55 3201.2 1950.0 2196.49 3680.12 6377.37 1086.02 5623.1 2243.94 4186.78 4094.32 1291.53 4188.2 2563.99 2859.19 2353.11 4347.69 8604.43 6812.31 2961.32 9457.95 9561.6 9458.51 9352.52 8990.24 9464.71 9352.52 9395.95 9386.65 3-Hydroxypicolinic acid 15325.1 23724.13 35015.08 22087.97 9708.9 20399.48 10726.39 17757.29 17271.27 26405.67 34121.55 102640.77 103716.6 55791.64 23970.75 53380.54 52541.61 29213.92 61499.96 31655.68 22191.81 10883.26 33971.09 27606.96 18902.81 22495.06 28614.13 22612.45 18954.2 27671.43 13392.54 41469.06 6628.11 13214.92 22044.16 23092.53 9421.8 13862.7 17463.64 15145.5 16567.18 20025.03 19847.87 16539.23 20096.83 28252.76 14149.77 46090.24 28076.3 71033.26 17205.78 7682.38 25624.46 35800.18 13500.38 15129.2 31449.54 18113.11 37333.4 11901.53 20386.68 19829.5 13751.06 32998.69 20063.95 19781.61 8595.38 35642.76 37855.27 7836.89 10122.89 22175.25 27169.08 26735.52 29433.32 27527.72 28705.06 28059.39 27372.64 27546.42 27152.83 26934.49 27159.99 27530.63 Valproic acid 21093.55 22974.75 17303.37 16928.3 26049.26 28619.58 23381.58 20251.14 21569.09 18577.23 23258.94 21648.48 30559.61 22038.68 39403.64 36590.62 19502.92 28588.24 31258.57 13441.06 21851.14 19084.7 24627.68 18696.81 18965.01 23529.29 24912.57 25265.8 44584.54 4752.79 25589.61 46076.6 18068.31 56910.77 24841.54 25648.36 17408.23 20818.17 21983.51 32821.25 12975.67 65582.15 27757.1 16794.4 26477.85 24484.48 23453.35 25698.12 18682.91 46699.76 17371.08 32702.73 28669.25 35126.07 15725.1 31990.97 13590.03 12935.18 16252.05 14933.34 28120.84 15438.34 16884.79 26180.86 23015.32 24606.07 12326.13 23895.36 20574.22 18232.53 18830.24 23032.46 21033.86 27533.32 25571.87 29800.48 28251.42 30070.75 27087.69 29793.36 28274.25 32548.47 30095.33 30182.27 2-Hydroxycinnamic acid 400192.3 176267.62 7795.56 41148.27 333143.63 135829.42 24333.06 604308.75 553880.97 218334.63 137359.47 316971.69 99848.09 119792.62 321330.65 223756.37 132369.25 399609.59 343396.15 708997.5 492850.24 47092.56 24619.61 97995.74 589755.69 257264.66 152412.48 235438.51 516179.35 234974.5 648804.65 258427.99 212551.47 75977.15 22341.24 374807.95 411837.72 96335.33 84061.4 115069.64 538869.7 525372.26 130063.15 66507.74 401851.07 94545.03 598687.54 187862.9 175934.25 362341.88 204434.21 115129.7 67424.06 128894.98 349201.81 170484.07 8610.43 5545.83 296468.5 8688.94 40510.13 16464.72 129661.76 155743.49 126275.16 318436.15 273427.29 138587.1 190926.09 335654.53 367898.08 170990.3 189599.36 85979.73 107843.23 10881.24 10276.54 13097.96 9429.56 13168.27 9248.23 17557.33 8890.86 5599.02 9933.95 9500.89 3638.8 18225.26 5937.51 6400.4 4423.36 9029.52 13612.55 14029.29 799.54 23238.49 12299.27 17514.68 10358.44 11746.78 266417.09 268171.31 268204.42 273619.68 266107.62 265215.87 267651.31 266430.42 268985.24 2,4-Quinolinediol 2388.54 6821.5 96701.04 65574.31 2449.41 861199.93 14917.93 3093.16 3246.09 5005.22 3654.65 2986.23 11354.18 3552.77 7854.05 5664.85 14782.83 4004.98 3785.84 3341.66 3493.63 903758.14 6161.97 6331.54 3110.65 7560.84 2971.2 2286.68 5330.39 1192.64 2014.62 1947.71 6209.55 43575.63 4195.29 2686.2 2153.12 802087.38 3167.57 2993.53 2963.16 3239.9 3023.45 5337.22 3487.54 3538.36 3158.44 9343.78 2924.03 2929.37 2301.07 11478.88 4370.1 6014.23 10244.33 5917.66 164863.16 198549.29 3035.18 753041.78 10371.79 11895.91 5231.84 9805.02 6461.92 3746.95 4095.82 5163.83 2646.85 2308.12 5102.83 5061.86 5577.16 31350.05 4608.36 106415.53 106865.84 107917.34 106847.14 106413.93 106384.61 106845.9 106473.91 106635.69 Purine 9021.58 7554.59 6179.08 11941.85 27698.55 1057.45 33045.9 27666.22 49496.37 16613.68 43718.15 40656.98 27667.67 2292.67 22977.12 22869.76 8779.57 25058.27 12323.17 11783.47 33416.72 6191.22 6511.99 9463.96 21851.26 13858.78 19342.68 43425.08 18459.68 35076.89 24569 22874.4 6707.23 57533.82 67100.64 16701.94 28204.39 11580.96 8401.73 78498.07 3095.8 10634.17 39082.49 12769.48 19735.09 55837.72 41213.89 18087.16 16697.07 16250.1 37907.21 19876.24 74157.68 97832.37 33680.9 803.18 1796.9 28426.01 19967.84 21288.69 1331.05 5601.25 30860 104486.54 40818.65 64355.46 41382.59 2810.98 6745.56 24705.87 15848.32 7315.16 38367.29 73860.03 26026.04 2198.08 2181.76 6808.28 3276.21 4275.82 4604.85 8815.36 3854.27 1600.97 1470.87 5268.95 1417.81 5221.6 2445.41 2437.24 1872.96 1254.46 3649.8 4332.8 8986.63 2020.49 5827.38 2469.23 8240.57 28146.87 28414.93 28302.4 28156.42 28666.03 28459.44 28458.03 28454.88 28147.18 Dasatinib 4831.68 8234.6 657.77 1130.93 3552.05 1011.66 2863.64 1918.14 4167.32 673.13 20749.2 5005.42 1099.73 2323.04 2827.7 16624.22 22282.01 1592.35 2639.56 4274.12 3896.23 1521.36 8471.57 2334.4 9434.47 1232.5 1224.46 1394.07 7357.67 1629.83 5678.43 1318.41 4386.61 954.15 5973.13 2782.67 9259.77 5239.15 8169.66 5206.96 1732.99 875.16 9719.25 16129.31 856.51 3549.56 4963.14 19835.58 2136.47 1679.22 7435.7 14446.6 20620.78 20005.07 9459.39 1882.55 1406.25 15788.17 1233.24 1942.96 11056.89 9638.96 47486.39 20951.38 49966.87 20927.99 1976.97 32674.43 29111.11 23935.53 7495.53 22429.58 12455.02 21459.36 5198.71 5509.67 6576.7 6471.47 5778.09 6668.3 6218.15 6657.63 7325.64 6345.84 3-Sialyllactose 1017.51 3893.11 16592.02 12792.55 10076.88 541.87 3375 2117.25 760.62 6572.57 11984.19 3269.94 3304.49 10259.9 3530.11 4415.11 44791.56 12570.43 10693.05 2539.21 1109.46 1756.95 20146.49 9565.35 2481.66 3788.46 2447.51 6867.25 1217.24 1547.48 1327.24 2659.4 2170.9 12969.14 8503.56 1967.25 12712.47 10514.93 9005.62 10940.56 1215.68 1253.62 10787.8 7874.92 2225.99 9718.31 720.36 3738.54 8101.21 10748.1 4810.09 18554.09 15935.51 20153.26 25611.35 5975.85 9630.54 8826.73 2129.81 4961.74 7827.31 17488.64 13794.19 19850.62 1717.8 2368.95 506.71 13093.71 1098.58 5395.89 1794.86 3102.55 9332.57 24471.84 19817.02 3470.13 4391.11 4153.88 6200.83 3867.36 4635.13 5735.99 3052.24 7003.86 10633.51 7428.2 7067.1 3529.1 2331.63 4464.93 6911.42 3474.4 5356.45 3731.49 6510.68 4384.69 5176.98 5831.41 4012.28 9150.66 8918.66 9797.99 10008.15 9230.1 10089.29 9306.18 9764.55 3774.64 9751.05 2-Phenylphenol 12243.55 5780.78 2622.57 6524.38 11536.3 2485.16 7698.15 12759.27 22643 3084.67 5805 5097.29 7012.87 872.17 20122.13 11597.35 8048.81 6119.35 7330.81 17203.2 13078.62 2890.6 4083.62 3687.2 20419.29 9611.71 17626.25 9247.11 19635.77 2035.51 13632.38 3966.64 12675.73 733.8 2431.56 14575.13 9433.81 4281.81 3612.21 4355.25 6097.9 15186.25 6519.77 7931.1 7954.02 3499.43 20649.35 10344.83 3172.8 15284.94 3815.18 7219.77 8540.5 6888.93 7794.57 6546.78 1807.01 1126.75 13760.9 2682.37 1019.43 8359.85 5812.95 6972.03 10020.23 15874.11 9073.06 10382.04 8201.09 13210.89 19052.13 8183.87 9995.49 5965.22 6902.6 8819.08 8902.14 8713.44 8718.68 8824.86 8923.28 8722.78 8772.38 8903.67 2-Hydroxy-2-methylbutyric acid 36707.09 472013.03 39211.73 48168.32 49081.72 76182.52 55060.74 9963.02 1444.26 158421.65 17371.1 45250.23 141142.68 41276.39 30069.72 28820.75 88319.86 25413.27 43641.31 771.23 1383.55 27799 139907.95 65221.55 19110.95 20515.72 46873.62 3679.03 41799.01 12837.66 642.95 24682.49 50118.73 132249.7 102138.76 22396.06 14844.59 10815.1 28326.14 63369 1033.59 10709.08 65720.33 26539.93 4575.7 15150.03 7088.02 85403.87 24715.21 17566.21 6802.97 572479 84358.28 67170.97 25916.97 168943.07 37667.83 50781.17 21120.55 23683.9 83736.02 390182.61 24741.24 57832.2 45263.21 56327.29 23156.86 43490.15 16910.5 16198.2 5899.21 308730.7 7744.84 151010.73 29807.33 68190.46 68493.13 68311.48 68487.7 68453.14 67955.82 68354.36 68487.99 68189.44 Thymine 53552.06 62308.89 59721.34 63264.2 31493.94 2342.94 72581.49 65661.25 55237.29 26750.2 70987.44 55685.46 40894.6 41202.29 91969.96 60687.31 41153.13 83944.85 29336.14 39565.01 60696.94 17127.97 32327.68 50493.83 51658.95 23944.98 37381.55 30996.96 37087.42 44040.14 71321.71 10560.03 39042.69 29481.42 43362.92 35330.86 65548.09 28844.12 51636.47 88627.48 7818.53 12788.39 57148.73 56232.18 40828.57 56138.07 86916.11 72848.14 10891.85 30412.06 34310.98 46427.03 47763.7 52733.7 45263.68 73935.86 74421.21 56281.52 49462.85 41947.95 55262.76 66509.25 86493.16 85095.66 69757.99 73293.85 39070.19 37673.86 55248.35 74256.41 69789.37 35434.34 83028.76 80432.31 100232.11 50882.75 50879.57 51136.5 50835.43 51137.2 51135.04 51052.67 51139.62 50561.81 Sulfapyridine 8420.6 18674.95 12845.7 36709.2 6526.34 26063.99 12285.82 13476.09 20372.4 23538.3 47881 9619.65 20156.41 16622.85 10232.94 10626.53 8886.57 12635.76 11003.28 18604.28 16325.14 17200.11 4750.11 14675.46 12012.28 14383.4 5446.83 40149.23 9554.47 3598.38 16240.69 4196.48 5411.97 2754.1 3518.3 7082.58 4322.6 22996.55 2683.17 5708.61 7341.39 11013.36 10351.56 28718.64 7788.35 6039.16 11647.73 8101.52 6410.44 12587.69 5230.2 7405.38 32143.89 9903.39 3415.47 1978.65 26436.68 22983.32 3966.06 11450.7 4834.74 551.67 2935.24 1506.47 3978.02 5892.49 9964.18 5492.05 11536.06 4656.72 5579.47 6442.69 16276.27 6673.38 5938.81 14252.51 15609.37 14558.63 14125.98 14094.07 14608.2 13328.96 14108.16 14656.46 Sulfacetamide 3493.3 5925.48 1951.93 1333.4 5508.48 4085.84 733.67 1643.9 4740.48 1720.17 2793.95 3785.05 757.42 1455.72 2167.86 560.78 1064.08 1575.58 1323.62 14695.31 33342.26 1189.98 6971.25 1147.13 23311.07 922.74 598.46 922.91 1061.26 1983.62 592.25 1427.16 2216.03 2784.36 1892.33 702.93 1375.61 2623.41 3637.44 2501.6 1941.49 3605.12 2192.48 2674.22 1154.98 1407.34 1509.14 1440.46 1313.71 2606.08 2051 3794.28 2086.82 688.11 1331.32 702.8 1264.87 1711.28 4068.64 1893.94 2765.72 3996.5 2449.98 2140.98 1326.42 6224.55 905.81 2840.55 2165.08 4984.67 995.56 1528.41 974.19 1906.37 3111.85 1817.7 1513.15 1834.69 1574.41 1689.45 1534.77 1830.19 1828.17 1883.34 Entecavir 33977.18 15015.13 33188.35 43369.47 43694.45 105036.64 152221.56 43309.22 201377.26 45394.32 72397.6 69276.45 50880.14 2851.02 6552.62 78104.03 985.66 5470.32 36878.78 23725.33 86050.4 34762.31 11585.78 46963.49 2977.95 33574.92 10601.48 27418.66 26546.65 86008.78 30358.14 70495.34 30128.8 62230.66 27821.44 28283.87 36676.66 11046.09 18888.88 46489.08 37870.03 35603.67 23829.62 6109.79 4905.8 74592.11 74942.82 19363.08 21967.38 6606.26 30757.63 21171.9 53231.83 93671.15 36360.28 27092.81 3460.13 5592.96 12690.14 37792.71 11488.91 12455.11 50380.43 64908.25 38036.22 66204.44 65172.73 44326.2 54161.57 36484.04 2597.98 21341.57 76196.02 44597.76 117268.51 47417.17 48043.55 46941.3 47703.52 46464.88 44983.21 47755 47768.65 47195.32 Uridine-5'-monophosphate 579.67 493.57 861.97 5251.63 1551.37 3090.93 3215.96 17092.73 432.37 1813.32 410.4 1778.54 11684.67 2653.14 13201.29 1488.72 7355.98 23126.08 486 9951.26 4086.17 8282.69 3119.98 1197.4 9659.44 21972.01 1015.78 1743.95 6255.87 3954.63 9949.65 8989.44 8824.06 3594.17 512.48 1446.03 1862.62 6631.47 317.8 2363.98 389.35 422.14 1780.83 3734.41 849.47 6249.61 2892.7 428.73 2611.29 758.99 2597.23 1689.91 3362.01 2502.53 6955.57 4001.24 9616.1 6829.69 10118.79 12617.57 3463.76 1404.68 6430.08 7314.94 1683.41 1320.46 2174.33 1437.6 4341.41 9597.39 9764.23 1745.55 9013.3 5781.71 4817.23 4709.11 2465.25 5743.42 1736.98 2196.52 6172.55 6998.38 1409.6 9930.62 9007.88 20004.37 15879.56 4828.92 1524.97 12388.65 1436.49 6313.86 10626.24 2394.64 3856.96 9493.3 8098.64 1480.02 12570.6 2984.09 6071.38 5966.16 5833.75 5830.25 5815.37 5965.82 6084.91 5816.93 5835.26 Carnosine 72391.24 21362.26 1754.38 412 77380.2 3060.77 907.62 85503.63 51959.09 11048.22 10538.21 56574.68 24106.03 21983.08 6782.06 24749.72 12176.18 64387.95 34317.17 39026.96 61332.96 4610.35 11482.57 744.48 98786.78 19437.19 17079.12 40380.92 84366.77 66503.09 175820.88 42500.77 3657.43 7428.86 477.14 96505.31 43201.66 5542.4 6187.09 19640.51 110008.8 87738.41 894.5 2264.79 89526.1 9049.15 60036.66 20043.08 34736.02 56010.58 46650.16 10789.16 2336.27 3059.04 41296.48 638.27 1955.13 2524.39 44445.3 3543.91 2140.48 4782.85 3318.84 8185.79 1077.84 56494.48 16453.52 38977.26 34540.44 59639.28 7383.96 19987.33 36752.73 2833.46 9336.22 41860.9 40794.1 41929.97 40635.74 40633.8 39336.59 42216.67 41879.42 41444.89 Adenosine 10930.61 6152.01 7620.13 4258.12 2825.99 7147.59 2812.69 9083.72 20803.03 29955.02 3200.13 7794.69 903.96 3772.64 4420.59 5918.92 8756.59 10091.77 7292.94 20598.4 4689.01 6921.82 4235.38 3989.39 10962 13705.75 4058.06 6356.45 16285.4 4668.42 29263.93 5108.17 6036.59 3709.82 1998.05 3272.95 8456.52 1770.51 3956.08 1169.39 5997.34 16213.09 4456.95 5757.12 1628.96 4813.87 11524.47 4715.51 2768.69 6189.3 11647.59 12689.6 6316.58 3257.58 4458.66 2375.6 12029.54 4619.32 15641.32 2777.21 6851.93 4010.87 5625.37 5858.25 5947.65 6863.4 7442.87 2457.11 7071.73 10186.59 14901.94 6456.03 3279.28 4711.44 1326.13 2229.75 2992.99 2174.28 1779.96 1577.17 830.53 1346.69 1119.88 2274.02 1771.02 2682.51 4780.19 1168.9 2791.21 1107.97 1353.4 1099.4 2783.24 3544.16 1395.31 3056.98 4129.14 4167.69 2658.18 10496.63 9326.78 9784.89 9748.39 8963.91 9239.67 9205.7 8154.9 9993.56 Heptanoic acid 42722.39 29206.71 5188.71 7655.1 33418.33 9495.48 15736.32 39886.92 36342.93 37049.58 37947.98 51202.99 42078.96 36809.64 28417.32 21045.9 17786.19 43785.49 62253.17 36894.01 28076.71 16503.78 21317.02 31201.98 38270.17 47345.82 31225.34 44946.68 57301.37 6608.23 60863.8 54577.17 22898.41 32520.41 27029.84 41395.12 48665.11 14794.68 41586.3 18775.37 49203.9 68866.11 31405.69 30350.23 39509.67 31456.69 42585.16 37375.13 33402.29 53803.13 45263.22 34165.44 35811.93 29829.06 16284.24 34234.83 4083.33 7206.5 32715.86 5096.93 11695.44 22161.1 22240.35 16293.47 25015.91 31383.71 32816.13 29492.84 35838.37 32530.9 32821.72 39580.16 24921.49 15207.99 32585.51 36199.95 32521.7 33621.23 32630.64 33556.7 32273.03 33380.86 29036.32 32062.77 Linezolid 8470.66 6444.13 1877.76 3218.76 1899.01 2004.88 660.9 8965.38 13132.98 2341.69 1841.6 4759.14 5387.48 3181.43 3471.44 6466.44 7203.63 13511.13 7200.52 13689.59 3677.46 1002.17 3955.22 2078.41 17431.07 3425.69 598.92 7448.19 19339.49 12670.08 5366.62 2292.76 5625.21 1115.36 2777.23 31316.91 26605.65 2053.74 4728.61 6925.48 25659.02 7095.82 2410.84 1562.2 1654.86 6138.91 12863.67 745.87 5681.26 5788.85 25841.61 4253.14 2589.56 8093.42 5845.59 488.01 1123.29 1573.63 20436.55 482.65 1041.46 2153.71 2648.56 2536.36 2378.38 5353.9 3397.08 12620.54 36585.73 11530.98 5333.38 3376.84 6189.19 3508.71 1005.57 6686.2 4569.61 5435.42 5052.36 4524.1 4683 3125.12 5486.16 4905.01 Geranic acid 541766.89 472467.67 420844.02 448438.35 260082.86 597855.86 515194.81 555253.9 292938.33 634518.15 903670.55 717974.1 384556.12 520098.97 559210.69 824216.24 405983.48 319090.96 792761.43 600825.83 683184.1 398403.04 621775.35 622899.66 264753.42 364150.88 766131.02 853513.14 381651.88 258256.5 550812.03 1017606.35 256980.22 719889.46 576409.58 335619.53 550428.88 539891.72 648059.69 419052.33 426054.34 718369.49 736208.07 248553.73 351403.92 441200.98 898225.18 693914.88 498821.2 976242.59 276587.15 291580.29 688266.44 642534.73 124911.11 339046.45 265993.89 236294.8 280677.35 163087.84 420039.8 185644.16 405608.26 466764.17 555509.41 513819.35 379838.84 455965.48 468252.02 463955.4 276870.1 689395.75 702409.2 630972.2 625699.17 605530.73 598996.26 598187.58 600302.02 598181.42 588787.98 600311.32 600315.2 597696.18 Uridine 13954.35 13315.41 138331.44 20544.32 767.88 47448.51 1066.53 26514.36 29071.04 20407.98 39460.18 2233.54 46844 10214.37 43886.7 33710.7 21680.69 40232.28 428.61 15467.75 5229.13 582.09 27275.06 37530.81 11711.13 46928 23282.16 54222.47 56106.55 618.28 17036.46 7646.29 65457.57 180504.27 67461.32 12486.83 34365.65 76301.71 74671.38 156672.71 3398.05 496.67 86438.48 16888.88 11688.03 156273.85 24345.25 5668.16 4821.48 4815.65 51145.76 22381.26 112837.56 299206.41 37198.13 23781.39 95572.67 203601.85 22691.83 88157.44 72200.92 21747.31 51059.48 201107.45 49477.36 23185.3 1843.96 30194.54 28464.15 17590.58 40847.51 25851.1 109714.57 189097.78 45329.39 10774.27 4730.67 8895.01 10381.23 10527.03 5336.92 12247.6 12612.01 10198.52 8746.83 10387.31 8120.05 22011.12 11223.43 10554.14 2467.55 7258.85 4701.97 27410.75 7869.07 11591.34 9191.49 14142.77 11857.29 10781.01 45440.53 45670.1 45686.87 45933.79 45930.12 45744.61 46647.97 45930.69 45664.54 Magnolol 20007.96 18945.41 21671.75 15465.32 25977.59 12319.04 9290.78 13724.98 40751.44 28896.87 20603.98 47244.32 29650.97 14432.2 21110.82 33268.24 15170.44 16192.9 22871.43 7363.01 8053.11 12087.31 21512.74 28535.77 42201.08 48403.52 36445.07 42472.12 39610.82 17963.52 14399.89 44831.66 44904.97 47622.95 36814.97 38884.09 19704.2 31283.13 38832.72 27439.47 31608.11 64115.86 37806.18 26003.48 33174.64 27434.46 23040.41 19478.7 24061.41 37001.81 22919.7 37011.21 38358.58 49999.93 21977.67 27380.61 16393.18 18827.26 29931.16 31040.87 18729.59 15708.77 22145.4 27624.87 22336.55 37872.62 8404.71 10122.93 24211.78 29872.14 26884.1 27620.37 24435.48 27972.45 22636.09 31362.75 32757.52 30802.75 31914.36 32547.81 30729.56 30821.28 32515.49 32512.04 Xylitol 16323.56 15215.28 15040.85 15275.48 13528.38 14081.82 17568.8 17420.44 15975.97 17399.43 18012.92 15644.32 16886.11 17969 16504.45 16039.05 15555.4 16023.69 15548.7 15351.11 16237.41 15614.75 16124.73 19360.71 17694.76 18389.47 16614.87 17642.43 16589.1 16091.31 15043.42 15368.81 16621.12 16650.92 17714.12 16220.46 18353.85 15990.39 14747.25 18113.67 13808.2 16721.85 14825.42 16073.1 14688.13 15078.46 16884.14 18740.78 15951.74 15653.08 15150.18 14766.03 19553.66 16496.97 14130.87 15241.98 15081.56 14797.37 15009.01 15375.65 13414.47 14428.26 15483.42 15685.78 15668.62 16183.88 16714.35 16576.21 15698.46 16477.06 14922.19 15271.21 13950.89 15157.48 15037.31 6461.38 6413.32 6085.77 5985.99 6506.9 6253.91 6136.41 6107.01 7337.7 6242.87 5742.5 6113.83 5747.14 5369.08 6181.68 6266.33 6477.28 6859.29 6158.99 7189.57 7036.25 7569.74 8286.26 8898.26 7802.45 17567.49 16973.83 17576.6 17405.76 17495.46 17455.87 17349.44 17566.27 17520.97 Melatonin 29764.22 12625.94 703.17 14760.7 6028.1 20923.78 1225.97 93543.61 27233.92 28523.82 10416.21 39581.64 93870.22 20999.04 9045.27 13450.53 8078.46 21116.68 32797.99 8538.56 33896.66 956.1 27153.92 22353.31 28499.9 7178.31 8687 20230.57 15926.52 33294.26 64117.97 82780.55 20014.02 19114.46 3977.14 30075.33 30941.44 708.74 18048.84 7108.87 104812.64 74590.47 6867.33 18798.82 40977.36 46161.27 22017.81 8910.02 45408.06 42765.94 20327.82 66814.43 17599.32 17883.76 14388.88 17262.15 6959.57 867.65 24820.35 620.47 8725.65 7096.7 7691.7 2766.75 5447.9 23228.11 25217.89 18561.09 19914.73 18679.01 10735.26 14270.07 7845.32 3226.44 5404.94 8562.4 11949.23 9136.98 9855.4 18766.09 8362.98 18275.97 8736.59 9304.67 9016.56 9020.81 17692.42 8443.1 8030.46 19386.91 7696.55 8919.44 8259.77 7909.97 20016.21 8447.07 7880.02 17438.36 8444.95 8219.52 15142.3 13204.16 15074.28 15079.88 16853.57 15602.11 15578.25 15010.42 15685.24 9(S)-HpOTrE 15387.54 10302.83 131153.04 115002.81 609532.89 545041.18 419944.36 17361.76 15811.65 13797.99 56409.77 54203.6 114500.8 15764.45 29586.6 411534.48 121387.94 20267.74 14429.71 12017.77 38626.38 13789.92 23905.71 44223.56 11320.75 19077.4 35707.06 12482.95 29612.06 10677.57 18057.28 35498.26 22422.1 44222.83 86712.37 15867.39 15127.55 21798.37 16160.04 30369.11 123934.92 20572.29 29415.09 30173.17 13856.44 145136.38 11784.04 13002.06 15782.82 220666.16 29032.67 17107.79 24179.69 166285.97 54130.19 27305.64 117896.11 23896.48 15598.5 70241.93 45881.32 43590.39 24992.82 76340.39 19408.6 41178.24 17049.21 20800.58 38371.73 28424.32 15514.99 10485.81 57919.94 81496.57 54727.97 5017.62 4093.57 4771.15 5481.73 3968.42 6159.84 2723.09 10766.64 3588.39 2932.7 6607.22 3386.68 5091.65 2324.48 3994.55 7577.0 3727.98 3456.49 3484.53 3392.85 1769.01 4463.51 2225.53 4719.28 3800.19 76259.6 77572.79 77651.19 80400.01 79215.77 75312.78 81169.85 80342.65 80400.81 Primidone 24038.34 47096.54 26327.46 25012.84 11804.25 4166.22 15432.4 15025.78 16489.84 27594.26 54730.76 72925.12 17687.5 21234.07 21292.62 29376.4 18755.02 30594.74 39650.28 24153.44 15843.15 3908.73 34236.22 43742.4 26549.31 18186.07 63333.14 41436.98 37026.68 53934.87 34812.93 69381.56 22009.18 57300.51 77440.6 27765.5 29130.54 22725.81 30878.15 69649.21 26585.28 34811.04 33724.78 23867.69 18368.84 32937.87 28193.91 25258.29 16562.53 41119.7 38793.34 25548.91 45002.28 37144.21 27248.37 31197.12 51337.37 64677.27 37137.99 19178.1 19462.61 19527.38 24832.66 50503.99 63390.04 19910.44 10907.94 64400.57 19083.81 13109.09 22465.64 26883.59 46068.04 24237.16 20369.11 33008.13 28134.78 32162.62 28014.99 31104.89 31316.17 17524.82 32155.73 26414.45 3,3',4'5-Tetrahydroxystilbene 8540.64 4837.34 66107.81 6705.99 1176.17 57033.31 40157.71 20575.24 27339.84 12919.9 10289.2 1827.8 1782.76 2701.37 35143.47 24939.76 8519.83 36764.71 1207.23 27429.67 5646.9 10866.86 15126.57 25606.46 2647.86 31740.78 12355.8 23287.27 33496.96 995.4 6803.37 4956.76 34024.53 88952 20267.35 2873.53 17834.02 41156.6 28215.64 56172.67 4021.94 1936.21 37402.46 9708.47 2823.84 92515.2 19773.91 2848.36 2856.53 2069.47 26074.35 7848.69 51484.78 129383.51 24541.35 16335.7 43228.44 75645.28 15359.67 41274.99 29163.38 3187.87 21727.65 84239.45 25992.95 7600.11 2801.87 4869.25 6841.3 3455.35 22742.2 6453.54 48987.27 90668.35 20457.55 1038294.59 683329.97 857507.11 913574.9 1137516.58 609219.07 1206226.27 1109959.28 1165304.97 658629.34 1037319.57 683932.45 1484676.04 1029148.28 1082982.49 1317317.91 733833.08 364292.97 1801657.6 1235668.74 1360625.16 868239.73 1558345.07 1148652.88 1363640.98 29877.04 32164.39 30050.97 31082.68 30160.39 29584.81 29877.66 30387.85 29897.9 Thymidine 113289.82 84312.84 130486.52 86079.69 96079.6 40215.63 76800.17 155814.59 96491.47 71081.85 71271.56 107534.47 52790.06 76915.66 177598.27 81659.27 43013.48 160871.2 40096.73 81488.62 76185.05 73417.42 82031.19 71196.31 121386.1 73758.55 72905.69 76973.17 262809.12 22488.58 98783.53 29318.25 102678.79 149973.44 66253.88 130365.39 108236.65 79960.45 132559.63 166107.74 54709.47 8626.31 97582.35 66194.52 93491.88 186698.34 138129.69 109166.08 23137.06 50106.13 191958.86 93403.78 110255.27 223522.62 140600.96 91754.08 106814.47 143330.46 116191.68 88009.83 62055.11 121213.34 85218.53 155182.76 54760.84 162689.26 31659.41 54811.67 95077.76 106254.58 115465.11 53528.21 96635.27 125374.82 170711.3 7803.33 7875.03 6187.35 10736.15 6449.11 7275.02 9428.2 10281.74 4412.96 7934.61 5879.06 5839.16 7787.06 10502.02 4732.93 8096.28 12047.98 6500.33 9026.87 6602.75 4573.45 7578.67 5053.97 5759.96 6820.06 106111.77 105117.85 104390.18 105139.15 105137.83 106019.48 106040.69 106036.76 107887.37 Biopterin 842.16 7749.93 10560 62641.39 3290.1 680.31 3158.27 3398.93 7454.54 1001.96 33537.72 13656.71 43179.75 773.64 23585.7 25554.76 13602.47 2841.42 972.72 1518.08 1394.9 4336.34 11611.43 20075.67 3170.51 509.52 17336.56 28284.39 8495.38 27842.18 2963.08 11202.05 4866.7 33735.89 30934.97 1306.57 12593.87 15817.32 15817.12 41115.71 3433.93 11140.27 15596.16 8101.65 10403.49 35448.54 1461.09 7196.54 1923 15745.41 20370.71 14778.88 24548.13 93331.76 60610.37 5085.23 27210.63 13628.24 8051.6 31522.36 4389.18 10151.1 42740.95 152616.77 14575.57 37825.11 6081.64 7314.54 9370.57 1642.16 6278.43 4364.94 15986.73 62463.95 47023.33 18495.64 18630.56 18711.28 18713.24 18959.57 17783.42 18750.34 18490.17 18650.1 Undecylenic acid 748996.79 815044.42 636385.48 587710.62 944954.53 1499183.83 900762.42 1198425.07 1350716.52 234858.87 1072863.85 1121703.82 459800.07 177001.25 939585.81 986070.05 622211.2 1088677.51 1327084.32 1444011.69 1173569.63 1003605.78 1129502.1 949042.55 1209631.83 1441901.9 949346.41 1186436.73 1590184.22 377757.58 1505923.88 1519018.07 1047509.63 1236901.34 1044673.96 1289103.19 1034271.64 1914405.96 955296.65 773836.06 1173767.82 1707013.15 1070176.28 350453.05 1257952.39 251590.61 1390593.03 1260820.8 946503.74 1569118.1 391399.13 1007512.57 1159344.56 1263439.43 590502.24 947277.14 502871.21 494495.82 912806.28 626581.88 568616.01 293585.97 675775.57 864658.91 855760.83 1070062.26 1068791.13 808303.57 796498.64 978890.66 1044665.42 1030937.94 910065.23 958488.65 881298.79 1046168.37 1050091.89 1053621.7 1053949.8 1050466.99 1038141.45 1049433.84 1044020.39 1049079.1 Hydantoin-5-propionic acid 20476.7 31375.82 3256.84 818.12 3066.93 1070.49 501.52 6129.95 2984.2 4961.73 1648.29 1545.84 6479.05 1527.91 33404.01 3010.89 544.89 3674.79 1057.52 5967.21 15683.42 263.03 2369.95 1743.09 5325.71 2812.6 1820.99 139.44 5126.46 2178.31 950.18 2213.46 1471.77 1340.58 1596.31 1804.87 3122.39 242.38 1260.82 2062.52 5633.46 10925.66 2109.85 303.53 3976.52 6486.1 7856.13 997.16 602.83 3535.52 8924.66 24826.4 1969.34 792.96 18961.09 29252.62 172.77 2165.72 1431.64 3868.84 1733.62 873.65 19840.69 2371.99 180.18 28358.34 43893.88 429.14 2287.28 2515.2 2159.71 230.22 1560.78 484.85 444.35 9476.29 9487.73 9032.38 9345.27 9598.77 8649.46 9515.36 8711.42 7519.9 2-Isopropylmalate 56465.51 15174.16 38698.11 25945.28 56416.64 20278.91 74474.82 61398.72 148431.29 54589.24 34967.57 39295.42 24844.58 19282.11 18243.21 38724.09 32152.86 17632.34 25289.72 33596.76 42893.08 10369.63 21257.91 19527.57 34483.97 28644.92 18571.58 18939.47 84129.19 5467.48 20575.03 25391.54 7147.22 12675.12 9852.41 15193.62 13660.16 11710.48 10947.02 5333.11 15332.68 16895.31 11532.95 21818.51 28495.76 55965.38 18501.72 26852.92 16268.51 20535.46 15927.43 8961.6 13251.76 21647.12 14024.93 9993 59854.05 22811.41 35641.29 17943.36 12533.4 6090.89 40522.71 23931.98 24089.75 37603.45 43337.13 23414.61 17472.7 16204.93 25061.97 14246.83 14165.25 20060.2 31896.62 32144.87 30553.8 30463.13 33257.3 30441.3 30538.18 32442.66 31614.75 32421.37 Lithocholic acid 329005.5 327840.38 457089.01 393614.69 304443.97 348584.74 337442.37 303875.55 336181.69 379744.4 447016.71 282125.4 221824.32 342987.19 257874.85 361864.15 370361.09 288406.09 308189.94 261035.1 323705.07 318001.51 443457.45 330988.19 324450.44 363640.23 371975.2 328443.89 248379.31 466510.25 257879.96 290592.47 433599.39 376976.16 441890.27 325094.23 442288.03 423113.36 442587.54 431709.24 277113.16 295975.78 343552.45 460483.01 324450.98 284702.14 286955.31 339376.43 312137.05 260563.61 389733.73 364688.29 362240.27 326090.17 316418.75 293065.45 489385.35 387038.95 331082.24 54315.1 463494.68 390157.61 338473.04 383673.71 370189.68 289438.33 251092.8 314510.53 328627.63 375640.17 391483.64 458807.88 378764.35 410669.19 427711.99 82264.81 65870.18 83638.78 76700.41 82504.06 78521.94 80331.38 76943.38 76212.3 79679.84 71257.04 78712.29 81514.52 78826.39 73590.78 62346.58 81314.06 79256.58 80456.83 76731.28 82342.17 78925.12 80263.21 84892.61 74513.78 392655.96 395163.21 400707.78 392260.91 387762.01 392771.24 392203.84 395257.02 395212.59 Nateglinide 22444.69 16215.86 18359.55 4022.32 13569.27 4261.14 2532.28 41229.55 47413.85 24156.02 7646.39 23413.04 4304.05 3660.28 38690.07 9377.02 5341.01 43432.51 36551.8 27728.1 7189.39 22375.61 3395.26 9203.81 38425.74 49633.66 17633.49 8414.39 38275.58 2425.63 3044.05 3926.1 31498.87 2557.07 8665.45 21662.79 25517.38 3642.43 7179.72 20092.97 2591.96 6153.34 21368.08 745.85 10598.94 3738.24 26074.93 21532.88 7591.63 6255.34 14521.43 2967.61 13001.95 20193.91 18331.57 13158.48 15464.89 14745.78 21561.71 29701.54 6579.14 1643.43 25808.62 19933.02 31644.21 13119.05 3662.19 2334.17 2541.72 34554.39 27890.91 5880.5 14571.87 35607.68 2797.03 18371.62 16428.02 18923.37 17905.67 16294.09 15260.34 17621.89 17735.75 17549.1 N-Formylmethionine 32898.69 26502.06 24152.58 21261.94 25680.01 173984.66 107106.82 29768.94 29706.7 22182.01 22478.18 19723.38 11373.02 11071.94 46660.9 22238.26 15913.17 26389.31 25830.49 34896.77 29528.68 288617.81 35866.39 20932.26 30166.59 29597.54 15847.33 18873.36 60042.81 4791.94 26508.11 26668.14 32698.98 27475.49 41307.22 22997.79 23867.03 74660.61 15166.39 14554.89 21951.35 45531.96 22298.7 14515.87 29505.8 23559.39 32612.45 22365.48 22645.16 29775.07 32876.61 26119.94 22764.23 20145.64 24933.58 24773.19 44859.03 23772.32 32157.64 63635.63 17701.14 20353.03 30658.82 21342.99 26386.61 42745.03 18388.08 17483.88 17674.6 26760.85 24132.94 27380.03 21656.86 14383.09 16545.43 27443.83 29088.3 29075.82 29590.19 29616.71 29058.38 29066.69 29614 30299.15 Flutamide 9370.93 6791.12 3833.07 4652.95 4619.24 10284.45 17073.81 2888.84 7317.86 5826.2 31452.19 28251.65 25959.28 18919.9 8290.93 9258.27 7340.56 9368.36 16528.82 19623.73 8830.98 15329.57 13075.78 41428.17 12975.77 8416.21 8652.38 15247.77 12672.15 13276.2 15589.32 26957.93 3649.72 5377.47 17037.97 12800.95 776.36 8363.97 8627.29 7156.61 946.51 19049.77 10052.93 13459.87 5632.61 9429.22 7688.89 16934.47 26963.55 18798.23 25425.57 11509.37 17668.96 19347.28 547.76 4809.28 9277.92 1752.01 486.44 3840.02 2730.15 1127.31 1164.95 6177.61 8856.25 9591.63 4511.45 12590.78 15227.16 5819.08 5156.69 4320.24 12643.85 12218.66 9187.81 10425.79 10947.85 10593.64 10899.03 12059.12 11681.76 5134.25 11640.29 11745.97 Salidroside 23955.33 97764.53 49825.97 51337.05 3699.13 17854.74 3994.02 20661.78 7876.54 29869.21 28768.74 64844.83 104880.56 18271.05 57723.52 80187.23 71194.01 7294.27 174510.36 3259.14 6882.45 32686.14 26604.79 76117.97 9406.47 27512.74 64037.55 70850.33 94012.83 737.52 1605.02 22402.66 224930.52 31184.84 67713.15 15389.45 22732.04 60724.54 50285.96 75221.54 63710.26 6234.17 98746.9 60194.35 36298.51 54788.89 19223.21 55051.39 42606.93 49884.5 47527.87 71934.84 66992.39 95019.25 80183.95 158719.47 30360.35 50332.21 120284.01 85487.42 84822.72 68584.15 41198.26 115800.7 29423.11 58998.23 7545.56 63270.99 62914.7 9557.33 36801.14 50027.56 53807.86 90208.79 56003.71 74212.4 77546.4 81873.19 78567.11 79216.68 74708.32 73594.8 78802 49566.54 2,4-Diamino-6-hydroxypyrimidine 8736.46 13533.76 7618.25 3844.17 1616.31 3967.02 3744.14 7070.05 3666.53 10243.83 3556.8 7688.27 6415.48 9655.62 16305.83 8904.81 11405.38 11241.25 12786.1 8935.74 15097.44 11737.29 10383.52 5583.85 3715.69 8832.75 5376.45 6303.67 12470.82 7289.47 3945.08 11604.88 9095.14 6826.42 4942.18 4685.64 8148.14 8432.03 11227.13 10962.77 5358.8 8153.88 7418.96 4715.09 14249.4 8614.44 10877.28 8008.98 6807.59 11739.77 6602.79 12289.62 8012.41 8083.02 3330.04 8455.59 8953.13 2725.64 10198.59 10794.5 8083.71 12318.08 15119.47 6927.33 10134.4 4898.22 16855.16 14686.7 6156.48 7543.83 6823.23 14626.07 4487.52 10818.81 10184.85 7261.12 7724.6 7532.71 7303.76 7706.74 8960.61 7533.14 7689.06 7292.53 Asp-Val 37527.65 56357.46 103101.53 134453.47 170155.82 32138.2 47437.73 128881.55 147923.4 56318.82 38022.63 33811.32 19919.21 29066.18 210063.45 64463.92 37156.72 70151.07 56456.15 49822.67 51958.44 17322.99 49176.01 46831.16 128785.72 96976.61 40191.02 33095.84 53864.55 9171.4 19966.89 31531.97 65080.47 27693.34 23936.92 37057.76 50650 17320.32 26825.53 44893.66 31229.53 42497.44 78871.98 27037.27 20592.42 44372.27 40332.25 15614.24 28507.13 38072.74 60893.72 15892.34 50203.79 88663.12 58580.09 54025.18 96555.26 104187.54 55367.51 48775.59 26934.04 15811.96 95150.13 88925.92 88439.54 57342.55 30658.5 33312.75 33989.79 89226.46 84664.28 20066.18 23304.68 124202.09 38263.37 57851.38 57841.83 56748.64 58665.97 56737.47 56743.53 56768.61 57848.04 57539.64 3,7-Dimethyluric acid 6626.5 10611.42 29853.93 23217.62 4306.95 487.49 19796.8 12024.89 4945.57 7264.24 16941.11 10297.97 17433.18 12806.32 16641.03 15966.41 16054.72 17842.38 9634.52 12833.61 6603.05 4372.32 15993.28 14904 13843.03 11796.49 6874.52 14508.58 10176.46 784.9 5312.6 2750.33 11360.46 22192.4 18850.18 10154.62 9660.88 10823.64 16021.27 21870.82 825.41 2657.17 20503.2 9830.72 12000.1 22359.6 14343.15 13921.13 3755.9 9759.75 13549.62 12940.59 23569.09 28265.29 14972.63 13531.21 33629.55 22872.34 9456.43 15064.54 15762.27 22836.72 24219.06 32029.4 16430.4 17903.42 4889.07 11465.55 11270.59 15309.01 14988.51 9830.01 25077.28 26812.79 35478.98 16826.5 17047.66 16813.32 16892.41 16647.74 16637.49 16666.58 16654.02 17496.56 L-Theanine 1836.04 6225.14 4899.05 10514.76 22663.96 10261.26 17949.6 713.72 4369.57 1906.14 4645.69 6636.09 23284.83 2792.99 5359.31 643.16 4020.75 795.52 8821.15 2910.08 2314.09 1970.89 3753.43 9684.42 2513.24 3009.73 7262.23 3047.32 1692.12 2915.83 2811.1 2860.25 2166.04 3538.47 3466.01 1555.46 2243.94 400.84 1308.05 3828.55 8541.23 1235.76 1451.27 2510.97 2236.2 33837.41 1345.08 1244.51 1278.8 11914.69 1128.57 1370.75 2076.56 12595.2 3117.36 2890.47 2462.94 1536.38 1023.04 3901.01 2546.17 1640.52 3051.85 3257.89 1896.63 7147.1 866.8 5921.38 2703.57 3107.87 5529.78 2285.5 898.12 12083.84 19840.13 5681.54 5419.73 5679.65 5695.68 5526.95 5679.47 5253.72 5551.93 5683.59 Tamibarotene 167033.51 27114.05 19826.65 2740.69 379842.85 3044.14 3460.89 124130.14 157582.72 119397.86 58623.05 185258.77 22584.68 93029.27 125890.22 120561.36 36745.04 135357.5 205293.98 216896.16 240141.3 109132.88 97980.99 84767.69 181694.51 149867.5 118118.88 25603.07 252497.95 40782.58 261474.76 371194.89 147750.36 40618.85 63441 182249.29 12981.16 6496.26 16428.28 39681.62 45242.71 315013.38 79770.13 57214.54 239039.03 32253.07 132467.72 148353.72 237732.83 166584.11 267303.64 121307.76 22027.6 29668.66 171454.04 28977.18 42088.74 10316.37 154883.71 15698.4 42423.3 10006.82 100255.96 20559.99 36873.46 206240.03 38560.63 78110.01 80721.14 160818.36 117145.16 101489.96 87058.67 24173.24 29013.7 118831.36 102461.29 93997.28 102599.43 102753.65 99985.44 98800.99 99791.04 49442.79 12-Ketolithocholic acid 765101.23 438107.28 1341846.21 399718.67 1330826.03 133657.41 499117.34 563299.84 746475.1 868217.22 743224.15 717067.02 1673596.35 423578.17 804849.26 712750.61 543135.91 32651.23 2405068.54 239943.54 337696.91 138160.66 2405511.8 1193776.51 1709950.97 345156.63 2502988.98 857009.06 1075936.8 282623.91 22445.13 1001504.47 502654.12 1163595.63 688428.49 2286395.06 639415.36 134466.02 1151115.77 690979.41 475651.64 1201072.07 1222939.71 472467.22 1060225.47 600858.77 446866.65 738337.58 4107223.03 1373043.75 1179673.8 612924.5 1109802 1650708.05 2756881.51 931664.78 783450.06 614635.66 665558.01 141382.65 973283.15 559661.45 1518391.86 1345685.14 440780.86 1100495.79 12258.43 1024546.19 307684.41 921973.81 770695.48 780238.17 548286.58 671588.77 1196520.2 1811.41 2291.53 2673.98 6221.06 3253.06 2285.44 1123.13 2404.31 1053.42 1336.34 3597.18 1293.34 2376.54 2053.35 3580.2 6124.08 2002.26 5682.96 7115.32 4351.97 3328.43 2583.77 2124.36 1938.31 1049568.81 1032172.64 1062138.46 1043447.82 1042151.08 1041036.72 1071909.92 1041339.49 1039970.29 Oxaprozin 135036.47 50298.07 17649.85 75384.4 17915.24 12484.18 12111.56 69017.97 59724.93 72219.63 28332.76 81320.06 26339.33 36203.11 28044.71 80193.74 38846.62 46432.9 29934.9 64473.68 53654.01 8194.2 32172.83 29182.52 126984.07 113206.17 35411.67 31944.76 129386.36 72145.21 9469.47 25405.97 29937.36 53794.92 33474.04 100248.74 15363.99 13542.85 40524.11 30448.39 11465.96 9211.06 29229.95 28748.96 20239.78 30100.23 129856.15 30000.35 14349.16 15988.51 8457.24 28463.26 51726.05 46658.16 55182.12 58123.45 14282.85 25935.32 64498.82 37781.3 37769.96 38594.74 35712.2 83367.34 58982.31 122566.16 29512.1 86378.39 57439.61 39458.66 58858.18 31862.01 48956.25 70722.25 43621.07 39154.49 40744.67 39224.65 37207.35 39267.93 26605.04 38848.14 38094.23 38965.62 N-Acetylthreonine 13929.28 5887.12 4509.95 33656.12 31525.57 24476.13 36885.32 11192.6 22143.04 9659.74 15198.7 15942.04 94051.05 16626.07 37570.5 11157 20548.39 13116.23 24707.72 10807.43 37754.44 7101.32 7807.19 3073.22 12617.84 10854 10527.1 16457.66 25543.87 12662.46 2168.95 7331.58 14181.04 3529.66 11501.54 5423.15 6288.29 5226.82 20780.36 8830.1 21801.32 26468.54 7598.73 46871.22 6577.68 63921.14 6483.63 14383.7 18587.54 11184.56 18679.49 6666.01 11245.88 47403.36 12051.93 11006.63 7997.29 939.47 6553.98 8769.2 16028.94 2746.16 17860.96 20462.66 18962.44 15258.44 20285.06 13364.98 10838.79 11101.05 6895.65 1722.58 11323.11 19190.91 27641.49 12021.73 4671.02 11581.9 11881.61 14151.08 10923.46 12032.68 7544.72 10919.37 L-Gulonolactone 32281.16 77773.43 131306.39 78519.9 7559.16 14762.38 21541.11 9268.23 60853.06 14641.89 61009.04 15925.11 11544.5 64003.77 29178.15 46684.81 78155.6 27363.06 2508.64 2814.6 38332.33 30858.13 11003.84 87483.12 18289.46 32847.33 36445.29 14176.69 7512.73 560.9 24745.6 3753.74 1364.83 8274.32 22941.88 2853.71 48670.21 38155.62 26545.5 35635.87 2369.71 4486.78 21529.64 96102.6 21265.15 22126.7 18179.59 3186.37 668.48 6530.99 8318.83 32798.9 18403.13 28763.3 32592.12 22818.81 26124.16 140307.22 18621.75 28107.45 251583.62 42425.77 106671.01 43707.39 12403.43 50783.52 27845.09 57433.18 151062.16 59483.69 71594.36 42404.21 240428.05 57579.39 110445.06 6884.61 7954.81 9599.18 6743.9 4899.47 9035.89 11857.92 4806.68 8463.89 18009.35 6713.96 6118.65 5446.25 4231.92 6047.89 4358.53 6509.59 7263.45 7344.0 9632.0 20738.13 22766.89 14326.17 22641.0 20933.43 38352.19 33670.51 37162.89 35498.96 35338.86 37226.41 34735.77 37463.45 37199.34 Coumestrol 13525.94 31092.27 1483.69 3359.21 15766.04 5904.35 1155.17 28195.46 37483.88 6662.44 1069.12 9560.21 5809.04 6756.57 18566.83 5252.14 3020.86 13926.82 14538.31 11216.18 20006.8 18366.31 3205.91 2896.77 23296.66 24363.33 2455.67 5711.01 8004.31 3531.59 17885.91 9345.62 14441.47 3457.39 2296.81 5914.53 12565.83 14659.66 1771.22 1019.45 24228.03 16967.38 3337.03 2012.59 16652.53 4998.53 10566.94 8749.05 1546.91 6569.86 16063.46 34069.32 4115.53 2625.23 7010.66 21232.51 3582.76 471.45 12942.72 6832.28 1774.27 892.62 12434.19 1490.07 10602.77 23658.72 32500.04 4886.58 3933.43 15976.1 24328.32 10693.48 2332.54 1528.31 2971 11247.83 10971.09 10921.84 11468.98 10084.01 11455.7 10954.05 11432.79 11521.78 4-Methylvaleric Acid 4945.4 4073 4984.31 34830.47 1098.6 2927.66 2174.07 6286.08 6986.92 6775.02 6380.94 5092.89 3825.92 3411.05 4680.98 6294.11 3478.67 6519.06 10726.09 7966.71 5609.13 4602.62 8094.5 4179.49 8139.6 8109.46 4065.07 8218.41 11692.6 2575.33 7271.76 5493.71 4956.71 4756.35 4621.11 6055.27 4007 2082.97 3149.98 3309.25 7774.18 8705.14 7717.78 3784.33 6205.12 3907.07 4029.43 7220.88 5828.83 7093.45 6453.74 8329.21 6640.6 5885.29 2010.5 4923.52 1762.07 2957.67 5007.57 1899.7 3838.03 4126.37 2628.91 5221.82 6774.6 4811.65 8269.75 7332.55 4058.75 5974.51 5251.41 6521.85 3302.17 8103.49 4027.65 6106.61 6065.07 4195.76 5811.53 5128.05 6108.15 6067.69 5818.52 6124.89 Geniposide 62786.89 22574.95 9548.81 7482.25 66968.74 27490.39 2883.98 37757.42 50214.24 33133.35 27841.11 83894.86 24331.85 28539.2 67422.09 43870.63 20553.77 51038.27 40629.57 48099.54 38652.3 65347.05 21913.84 29122.48 65168.72 60169.56 15555.46 24965.89 80641.96 36514.13 106400.2 71079.16 72336.55 33509.65 14337.5 254172.35 27681.98 19736.17 19917.33 3567.72 41524.36 80440.08 17670.44 22441.07 101440.8 47931.8 40652.59 50001.93 82566.04 52579.43 65895.84 51507.72 22216.97 20294.96 4367.62 34630.86 5556.37 5876.84 21693.21 18374.44 10913.32 19100.56 53813.14 22189.85 21017.52 52991.19 31495.4 11563.9 51878.43 70853.5 50647.91 41758.4 13766.94 20326.44 14425.61 53706.62 49621.63 44140.08 49915.34 49627.17 51995.09 37270.76 50460.64 37418.55 5,6-Dimethylbenzimidazole 10450.26 1172.16 11349.08 731.06 12883.45 22573.32 585.71 5998.98 7347.31 11086.57 11815.13 2945.53 665.1 2448.57 8398.1 17243.62 1888.87 1469.92 18849.98 5509.9 3623 8475.49 22989.73 1825.12 12855.56 15303.93 7141.62 8327.14 4949.34 8674.83 33947.1 10415.36 7606.42 127547.86 3771.33 7813.38 2646.74 653.71 9747.86 6930.75 12376.71 11629.44 5432.25 8088.88 3422.62 22554.85 14367.19 20270.91 9959.77 17690.85 24538.38 643.32 10514.52 9755.28 8083.32 1091.41 9856.31 7823.28 10129.68 13212.49 8100.59 36271.04 5385.21 738.04 11337.74 2420.18 637.11 9206.77 64532.39 3079.91 5605.87 37525.56 33249.91 8522.05 3266.67 11540.75 12713.96 13654.54 14271.82 13693.81 15180.3 11880.34 12318.12 13812.19 Homocitrulline 194848.05 144159.78 27720.67 66394.45 217965.84 160491.23 135864.92 207616.05 179370.69 122622.74 106686.84 182301.74 190202.08 147944.21 167490.65 139552.4 77446.17 243743.96 203224.75 125595.95 147200.1 56164.48 91543.73 78219.86 185039.41 184246.01 87439.87 117382.63 332393.39 35491.55 307253.1 413060.54 117945.23 105259.71 83506.84 265105.42 178977.21 105454.37 84449.48 77861.25 197148.01 455318.58 90242.86 79881.51 295999.64 163093.1 267731.01 136855.79 176650.11 379796.83 248851.01 203847.87 88714.1 132834.79 145836.78 165861.44 31332.53 29117.33 130408.02 46842.1 64546.18 59990.76 118384.04 50646.64 63015.76 234886.31 110955.06 92562.85 97864.64 156271.9 160197.76 142309.22 91721.34 81307.55 89476.51 162539.02 164013.18 169914.03 162863.05 163046.09 162560.56 162129.82 164136.64 162542.82 Brigatinib (AP26113) 564.29 67.78 1446.54 1604.01 3711.78 97398.67 91.18 3659.51 155.33 1927.82 99.26 44.54 59.66 1365.3 53.8 52.87 88.97 953.18 631.32 292.25 47 3032.58 178.09 184.96 160.12 44485.09 97.7 212.26 140.26 4776.8 178.13 151.66 6118.81 287.01 46.59 3421.7 104.58 30290.43 1246.5 50.54 54.8 717.51 170.52 82.62 3323.41 47.34 215.87 6088.77 2060.75 2775.05 381.47 84.55 91.06 48.07 376.34 355.55 636.65 905.62 163.88 32649.78 825.58 584.38 69.75 68.71 159.72 312.04 285.97 2160.65 2528.38 103 100.19 2331.23 130.31 106.31 59.25 32940.53 33804.34 33191.29 27014.79 22046.96 25871.77 11019.82 29959.57 35870.63 749.31 1020.09 7421.22 12605.53 31467.57 5356.01 18806.91 10743.28 54514.05 9001.1 25499.98 6753.91 16293.28 26554.86 46521.35 6352.41 5297.98 4670.51 4534.05 3946.54 5077.08 5246.11 4112.1 3818.65 Bumetanide 71320.14 134080.34 57545.91 45617 88789.73 173392.31 49757.35 138621.1 149044.13 109149.9 92864.46 61426.69 66584.14 44561.61 133338.93 97975.02 66740.52 143300.93 95025.38 199895.52 119429.45 124589.78 65114.14 68645.38 115266.49 172030.38 52199.17 54729.89 170224.94 51853.26 172813.13 97353.16 127389.75 58970.32 64596.61 102714.95 125486.23 108247.61 56743.68 62564.05 132119.21 140032.52 83093.44 54802.8 138350.23 47545.97 174320.53 98300.4 56679.32 122313.82 80682.41 109671.1 65966.9 82081.04 84098.28 130728.32 48671.1 46102.16 103429.27 82109.3 46411.27 47548.53 90735.23 79241.59 67237.2 135039.74 159122.12 50523.51 55652.64 119069.37 133107.38 68081.98 82205.29 83473.9 71591.29 99190.42 99143.35 99189.41 97562.81 98936.77 98565.6 99203.98 100264.78 99066.84 Tyrphostin A51 10765.85 19536.32 2229.23 14212.99 6162.51 4855.77 2373.73 5352.78 7917.73 2934.98 4017.16 14454.16 6268.32 14473.77 8314.15 13722.4 11248.05 43357.97 10543.43 37167.83 5674.15 2723.28 1495.15 944.62 5098.38 4516.38 2336.53 2635.12 8890.68 4836.47 16543.97 36820.87 1697.71 323.88 1807.05 6505.42 1828.04 945.64 3491.84 1248.38 14238.05 14011.27 1704.79 1423.49 16496.86 8020.87 5459.08 2637.21 1596.73 27048.57 2836.93 9891.74 691.57 1677.93 8729.62 11051.94 581.48 358.95 309.59 625.39 444.21 2777.73 3404.32 996.7 1612.07 8212.71 21207.75 3146.97 5543.9 2862.09 1414.37 872.82 830.75 2396.76 2207.31 8763.77 9711.78 8878.9 9037.48 9038.38 7955.98 8792.46 8794.45 8784.15 (S)-2-Azetidinecarboxylic acid 15762.54 18326.95 24793.24 27355.6 25636.55 22117.34 41070.99 26203.03 26719.74 28660.93 40818.58 49047.64 51801.89 28246.39 22730.38 48633.78 25644.06 21989.39 52892.14 31829.74 28213.96 31805.19 39181.88 33457.08 25668.34 25886.87 34532.88 40700.15 32054.52 16971.61 37028.8 72503.29 18849.78 41630.63 30815.18 23512.69 20491.42 20073.59 30008.85 25621.35 26240.12 39519.14 37079.28 24087.2 28955.47 36690.52 28495.49 44551.18 34475.54 70835.77 18051.19 21878.39 42541.37 46265 13722.68 18517.56 19865.28 18949.91 20774.79 24974.91 21350.83 20657.92 15386.71 29728.24 30986.84 22354.52 25172.29 30309.36 29212.03 22920.64 22613.04 34818.55 31790.77 37133.19 37066.54 2312.36 2433.03 792.19 1702.49 1340.03 9104.24 8329.34 1750.67 3023.6 2637.07 3483.72 4543.01 1977.26 1255.71 3948.65 1870.58 4269.4 3698.8 3054.12 1646.89 4181.91 2721.95 2311.84 3828.56 4455.35 31846.7 31703.97 31810.4 31786.98 31840.42 31701.03 32027.05 31828 31606.94 Thiodiglycolic acid 5496.55 6113.76 4045.9 5713.15 8442.59 13640.7 2981.5 5809.73 11126.17 7052.75 5626.82 8986.72 6434.25 4961.21 3365.92 14854.82 6299.91 8091.42 10464.72 11517.34 5759.7 8005.95 6907.11 6188.78 3902.7 10004.78 4705.79 5988.96 7153.87 3403.84 12319.57 15166.71 718.25 6882.47 3016.38 5252.93 4050.98 8066.39 4741.24 3563.62 7068.63 6054.3 4937.18 4107.2 17763.29 4911.12 7707.19 2354.58 8473.08 13875.16 4218.41 3942.73 3859.22 3490.29 2619.14 1737.6 3381.69 2880.27 3767.3 2312.3 2106.73 1236.18 2310.19 1192.75 2559.94 4984 6568.97 4978.64 5486.45 3877.19 3492.12 5424.62 5177.13 2371.07 5537.23 6330.6 6309.54 6304.23 6129.96 6352.07 6369.79 6121.38 6121.98 6341.77 Ammeline 194.21 855.93 1293.4 3611.98 5138.98 9420.76 6229.88 659.1 119.33 2729.53 138.02 87.11 220.14 63.48 102.14 134.29 83.48 1148.75 760.28 92.04 130.36 10590.61 146.43 497.38 88.48 101.02 150.78 133.87 85.45 441.16 75.28 1217.97 85.5 1863.43 133.34 81.72 520.17 12672.51 140.76 114.51 2014.17 210.37 436.15 75.23 1046.36 651.5 63.21 89.6 201.23 90.2 282.36 419.99 96.6 192.29 147.79 64.77 2318.29 594.17 473.3 12637.92 68.47 136.72 103.42 871.97 465.81 132.74 72.98 141.7 75.48 598.04 62.13 92.52 126.43 90.44 171.95 1647.15 1666.32 1700.4 1673.88 1647.78 1639.54 1673.15 1674.2 1665.36 2,6-Dimethylphenol 9932.68 29740.21 17851.22 516.57 5331.38 7455.54 5605.26 14764.03 801.69 56811.46 3000.96 11807.19 2128.76 14236.15 28532.54 20762.5 18656.66 41053.49 92469.07 897.03 518.67 62518.33 2682.9 2823.72 14093.18 337201.4 71449.14 21870.11 24252.85 38208.35 1178.22 28276.3 28721.74 531.27 25472.85 45063.79 3184.92 28553.76 735.27 3138.96 15807.21 5985.93 5092.83 627.33 883.82 3108.96 439.97 17145.18 1864.17 18724.55 3186.01 3316.17 22478 1108.1 5597.94 34280.64 532.32 2809.58 17563.14 65278.32 24465.91 4852.98 5818.11 1191.55 8836.91 4935.58 782.04 27066.58 9878.73 16652.14 13178.42 20614.37 550.45 8755.54 12629 17461.19 17470.79 17223.82 17231.16 17213.57 16845.13 17568.21 17226.25 17468.76 Isatin 2524.57 9182.35 51893.59 2598.17 2032.97 9506.43 912.52 19434.75 19715.81 8988.03 21050.36 6199.23 745.39 7895.47 11900.47 11884.76 680.83 26661.47 1280.33 5742.04 924.38 10247.73 5854.07 13448.31 16297.94 25250.67 8159.29 24876.18 27332.46 2319.43 4982.33 7578.12 28712.22 54633.11 26683.96 15879.45 8952.8 37398.49 23226.59 75976.82 3230.93 2248.26 30972.24 9644.27 10581.3 29182.31 26932.51 13217.14 1210.97 826.02 19685 1373.54 48798.93 119846.61 29109.72 3225.3 26361.32 65943.98 18880.34 31882.91 19033.43 1926.1 22541.37 103185.9 27681.9 6643.92 9233.65 3576.01 3139.02 15667.85 9268.1 2343.01 49531.61 70118.78 10258.27 21131.01 21739.37 21393.92 21406.2 21800.39 21779.62 20271.3 22132.67 22425.78 2-Hydroxyglutarate 18806.67 25477.46 29928.14 53858.47 72559.09 11361.95 59813.51 86085.66 90129.84 8561.03 45246.92 11860.95 53397.4 18595.77 34431.61 32422.89 51319.19 23108.39 16088.56 22271.57 53761.92 3061.83 5001.02 27374.39 21308.13 18321.46 12284.72 16504.7 19390.29 1166.59 15765.63 4780.46 3390.77 2066.43 15660.58 2579.16 27125.4 1865.57 12922.35 10620.84 5873.07 4551.75 18731.1 15078.92 10584.57 35220.46 24029.67 2504.73 10492.47 14404.03 5027.86 9500.93 13989.27 22756.05 26913.43 16796.92 4119.25 24187.66 24383.09 11498.05 36098.84 2671.36 53323.99 41708.1 28355 28930.16 40153.45 12597.83 24614.41 44324.52 35074.6 9788.93 21997.32 37350 48445.16 24124.91 23758.29 23325.98 23343.58 23780.56 23145.64 23792.14 24146.87 23357.25 FFA(13:0) 29470.79 9782.94 1188.35 7140.31 32003.93 105882.51 9341.91 74702.87 4589.34 16260.11 11629.83 24424.35 4970.1 12714.53 28715.89 15533.69 3158.72 178797.29 46690.19 26650.59 78795.1 74230.53 14823.05 18012.56 13206.4 1348.99 3464.93 10664.27 28533.72 34070.73 61819.45 150521.64 44087.38 13080.68 7595.24 97872.06 66710.45 18023.44 10776.07 3729.06 22379.39 78144.3 20634.63 2504.62 67185.79 16093.12 50330.79 47229.78 72860.04 62256.43 69896.13 38635.43 23731.6 2322.88 40050.39 51999.13 411.19 5277.67 130717.65 3047.8 9542.11 7171.14 54737.21 22284.38 43467.03 22117.71 33280.26 8500.14 7228.74 71886.68 13033.38 35357.3 51628.58 3638.93 3551.37 41264.87 42438.58 40227.82 40124.42 41114.12 40816.82 40101.63 42336.01 39774.06 N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide 100460.99 100342.77 95338.27 89864.08 94630.42 89792.93 96083.07 106132.43 106102.91 103854.59 125029.42 105618.93 102506.17 104269.11 101773.25 110289.01 115227.48 105144.75 106094.33 102667.14 106943.01 96778.98 104788.02 102783.84 102609.03 99873.94 104883.84 121024.39 113720.11 100790.45 104877.98 101577.76 99412.7 96296.23 102031.7 98057.28 101634.91 92000.08 99518.59 100075.57 103357.37 95384.31 100337.03 100917.11 95300.99 91005.85 103716.06 107165.18 93507.11 102460.52 99173.88 99604.48 93487.23 96666.36 84461.02 105782.61 100596.55 95732.58 93647.48 82066.96 100481.21 107207.56 96312.62 95566.99 104129.6 95541 109759.97 108419.73 107473.97 102746.87 97082.27 115986.27 98900.97 101279.13 102917.63 9089.06 7992.37 8217.65 7206.22 7572.42 7869.53 8998.7 7809.75 8402.91 7673.43 8394.79 8734.25 9517.17 9132.78 8116.46 7186.37 9282.22 9523.3 8940.6 8633.44 8059.94 9092.18 8076.17 7829.45 7922.82 114986.57 114998.12 113705.21 114915.61 113315.87 111354.44 118494.24 114979.95 113364.39 Fluconazole 28319.23 17127.31 5861.37 8362.19 14542.97 8198.51 3913.62 24681.62 34809.63 15244.33 18324.83 39499.34 37032.05 30259.82 18427.39 19877.1 3763.63 96430.46 60847.39 128437.8 25369.43 51293.12 16387.3 11673.11 21704.6 34541.99 2352.71 8099.55 46639.02 15971.22 134040.83 67653.91 27462.17 15002.34 13891.11 37338.49 23078.71 16410.66 12137.37 2961.58 78580.82 32907.32 15118.7 12054.81 78611.02 33443.86 55187.03 43987.27 20171.35 33741.49 23149.86 18570.18 7796.86 12407.29 14037.53 16730.43 16803.56 8634.96 24452.25 13028.06 4698.47 6610 21016.93 2773.63 23122.15 13515.6 41426.22 13978.01 17279.6 23347.87 30381.95 19902.89 15449.21 13299.09 9876.29 39741.66 38971.05 38958.22 38976.13 39090.67 38922.99 39145.63 39094.89 38372.98 Gln-Gln 101150.9 89117.43 846.14 116815.07 127391.34 37395.59 228450.97 26277.8 115112.04 24637.59 60755.7 206533.61 101084.72 96283.56 84524.62 165237.52 53457.06 162592.19 70647.93 189701.6 125609.69 7570.85 8174.55 62567.97 36074.86 67856.11 30650.86 81249.95 119884.81 28724.05 167219.55 351473.66 2006.31 81676.46 55376.25 97572.92 71356.05 2936.23 54235.5 51096.06 171921.36 207774.81 77837.3 47355.74 167283.38 163257.52 148877.15 54025.41 58905.28 231705.61 133036.75 83325.76 87433.11 266624.42 116526.01 52589.6 1291.42 868.35 47957.26 93092.22 1535.96 24924.16 77978.25 78697.55 38967.98 228117.74 203644.28 86116.15 164635.87 60341.84 40844.66 44395.61 83953.63 112659.87 182020.31 112645.38 113649.65 112647.12 112622.57 111611.77 116672.06 113470.93 113661.77 112631.99 Glu-Phe 19236.99 18354.44 89733.09 62966.52 8363.06 8401.69 5425.33 11401.47 4958.83 10696.27 28627.52 17580.88 14906.58 24200.98 12724.97 10763.87 7178.14 12822.23 1189.22 743.46 7963.61 1023.57 50735.87 41450.76 10402.62 3186 28238.69 26729.05 7176.45 1249.4 5333.94 2900.87 6866.17 40119.5 32168.03 6387.15 11441.2 1119.74 31911.78 10804.14 3132.17 9869.2 35599.91 23499.63 16933.71 2250.56 6364.43 4182.11 7683.5 3132.74 21184.82 11821.9 26757.24 56445.8 15190.52 37730.22 62223.49 12705.63 4685.17 451.91 8707.78 16151.43 14937.73 38036.13 8387.26 14086.48 4492.73 38850.6 24274.72 12519.65 4503.26 5127.54 12137.25 44807.02 41684.21 22179.38 21208.17 20698.07 20707.6 21897.27 23327.37 22306.5 23072.97 14976.03 23565.8 22166.55 23704.67 24637.13 23998.79 22183.88 21956.33 22435.49 24213.19 23921.08 23184.58 23736.18 22995.82 22737.27 25919.91 21498.43 14283.05 15113.53 14662.46 10501.72 13854.74 15126.64 15114.23 14340.22 13903.4 Marmesin 2977.61 9451.63 13763.46 16776.95 9814.91 2389.78 2182.12 2015.17 4244.05 13297.81 9851.92 1415.57 2632.41 11180.75 24199.41 13111.58 9183.41 26386.61 8384.27 10195.46 7044.3 1440.33 4276.08 2383.96 8291.76 6578.27 3522.07 8445.64 12615.74 5113.77 1313.04 1756.58 4263.39 11564.76 10777.49 4770.57 13481.4 11184.35 11224.91 17387.65 2830.86 4924.15 12942.64 8802.72 4021.22 20442.9 8106.63 10930.02 1645.45 8734.15 8319.21 4971.01 12591.82 13498.38 3277.42 19400.32 26505.32 22855.92 7151.99 13079.07 10094.05 3957.11 5686.87 17880.86 15567.9 17114.01 19541.27 8035.5 11813.43 4991.77 9303.37 3592.45 20763.84 24956.07 12898.89 9932.5 7170.13 8947.25 9911 9469.96 9595.91 9724.82 10631.04 9764.2 Methotrexate 21163.51 7814.86 3199.69 801.81 8331.82 46917.67 11162.77 1931.5 20254.54 13864.87 850.28 12921.99 2954.25 502.12 41995.99 3459.82 11108.24 4353.81 5035.86 33242.23 3103.63 46142.43 594.03 5802.04 3796.8 31268.43 693.84 1988.97 16914.82 1222.68 15127.25 3920.04 39605.23 9223.89 1396.49 442.68 11519.13 30701.05 498.12 1320.38 1861.53 10969.84 3210.37 2115.7 1145.95 564.18 1663.27 6460.25 512.17 5773.66 18912.78 19822.31 4829.42 2805.43 11733.1 22873.92 5580.74 3017.48 21523.96 29683.46 773.63 1515.67 23361.89 4030.2 3594.82 9315.89 42825.47 1468.77 483.46 12869.1 32938.33 3359.58 4348.4 3091.45 1094.7 15478.28 15183.27 15477.13 15402.77 15494.99 15211.91 15148.82 15408.84 14467.95 Porphobilinogen 1762297.71 601716.77 111053.45 151998.37 1691158.94 596124.89 362201.24 2343901.15 2317962.61 835328.23 392684.12 1198712.74 425779.81 414236.19 1388467.32 784779.74 322427.15 1291066.82 1015849.79 2210851.96 1648050.09 258085.1 236745.45 280984.03 1852119.04 988352.61 427981.92 822871.6 2115884.68 854208.04 2350686.42 1021367.03 792979.43 237929.41 212408.65 1906181.69 1586197.16 307709.5 288324.5 326366.34 2357252.88 2665489.91 197653.53 263515.22 1814291.55 417568.81 2448022.06 675167.05 1107913.15 1701094.83 1194335.65 445229.33 217534.16 352955.16 936959.27 510030.07 33528.7 97101.8 1243895.66 128351.42 172048.9 151672.29 482225.08 255370.94 572970.44 1278497.55 1139717.71 684013.6 826772.34 1627463.09 1767478.9 731578.85 176230.19 318161.96 258471.68 1045240.07 1041501.23 1042446.85 1045299.08 1039183.21 1044082.58 1041475.6 1049077.64 1042394.54 Riluzole 180.33 7597.48 2027.33 276621.88 101441.56 178783.92 194516.77 502.71 710.72 976.11 7017.9 684.55 80607.67 3394.27 13504.49 16145.49 21882.99 10830.69 6771.19 538.04 1552.23 636.15 7744.04 962.55 764.24 671.09 10864.67 2317.33 220.09 2172.09 621.84 2476.65 12409.02 22593.31 13234.1 726.59 552.41 5121.98 1684.86 2172.6 18140.82 4319.86 872.84 800.09 15145.39 96367.27 663.63 799.52 522.64 10686.8 1939.01 10611.04 1567.99 31350.3 1169.26 752.98 1113.56 968.18 1401.67 9456.91 972.95 12188.6 11318.03 3874.11 695.69 1005.4 15934.44 711.8 905.08 13504.68 10686.45 3048.29 861.94 10344.04 21834.13 20204.69 19855.27 20840.01 20240.18 19270.93 19290.28 20228.47 19747.94 20184.5 Rutaecarpine 8248.53 16183.83 794.61 2291.75 2182.1 2338.14 1715.43 18992.72 6547.93 8944.85 8769.19 8220.44 9394.69 7883.85 1742.21 9402.3 7975.75 3024.89 9053.67 7355.04 5213.97 2397.07 11012.62 9497.14 3583.9 6385.52 12156.46 9637.8 5694.15 9478.19 6942.87 3399.92 7419.76 7966.05 7736.49 6006.47 4087.2 6394.48 9464.31 5212.88 19485.4 10220.46 9104.5 14107.74 16110.02 7884.54 4875.46 2765.41 5707.08 6420.06 11461.87 15579.02 6219.95 8008.4 11787.86 17960.97 4025.77 3566.3 5724.78 2978.18 9514.15 5895.46 24476.05 5346.51 6494.25 12331.37 1292.77 8827.91 11225.29 14662.69 14051.69 12819.3 2739.68 5843.1 3595.25 12045.18 12051.75 12013.55 12027.22 11757.1 11770.78 12107.97 11454.45 11031.84 alpha-Muricholic acid 92677.83 35806.06 307375.62 130567.85 160417.58 9299.41 21846.73 72033.57 36250.79 57446.75 51925.79 182068.34 274436.86 49286.42 57968.93 98116.41 113475.25 44398.64 205767.13 37064.24 6316.89 15843.98 273444.31 52147.73 104689.7 48100.76 116174.64 126743.1 118310.64 116911.49 18533.44 190137.17 86239.8 79857.57 77350.24 158678.61 66096.58 20880.07 73735.39 37716.31 117104.47 144944.02 100041.34 37476.35 98209.9 160773.29 62743.63 149638.87 232686.02 349425.23 124334.53 66671.93 225324.3 387677.25 505024.56 36405.95 313738.55 45968.29 100145.78 57633.06 166746.05 69764.49 69952.54 297049.99 71665.06 76789.66 1087.2 43295.12 42598.39 58038.67 19997.94 53271.1 68300.23 69934.23 293685.27 147347.26 150736.46 145375.05 136434.39 150755.49 150969.28 150939.99 143534.57 147910.78 Phosphoserine 153.15 100.25 2754.99 2652.64 164.61 19070 275.34 173.15 1706.76 173.28 1099.39 122.12 609.13 1179.38 615.94 920.68 323.47 90.77 236.04 135.06 113.6 20546.36 143.02 129.96 822.57 397.24 1017.4 1260.89 239.67 91.76 1519.09 1677.48 412.76 1181.23 941.2 139.74 701.12 22775.85 99.23 890.68 249.25 377.58 656.55 1243.21 293.77 121.83 232.24 303.41 164.44 135.52 127.54 589.66 859.54 270.06 170.38 533.6 4158.95 5517.75 131.28 28758.35 171.1 327.19 442.13 619.06 91.93 248.46 111.52 137.23 958.15 840.77 905.14 1874.51 898.26 635.81 151.97 3636.66 3607.98 3648.36 3506.23 3592.28 3706.03 3607.13 3404.97 3647 Trehalose 17712.67 1235.29 42023.35 6402.16 58417.56 8917.82 18662.17 23450.58 50088.24 50349.23 55464.07 17979.16 7027.91 10744.84 36026.55 32546.29 299444.32 36928.09 35976.59 30597.84 5044 20081.91 14088.22 917.6 37987.91 35654.53 9924.68 23321.71 33271.1 2475.61 11666.59 18357.25 21953.51 41151.78 44233.09 17461.37 56105.65 8873.36 2442.24 100684.78 11764.07 21924.21 50391.86 10187.83 17889.8 54217.37 35610.9 6078 31563.43 27048.28 21512.62 20605.12 108031.96 100672.65 236396.32 3864.08 17734.13 107005.58 37939.75 43582.82 6898.96 2620.8 26250.59 124091.82 59384.42 16777.15 19003.8 9837.38 1538.03 30009.46 31747.72 18174.13 77865.67 223878.43 18116.8 835997.66 1268318.92 946411.95 1275778.6 942362.79 842180.0 1132439.49 1001430.34 1171544.46 591533.85 847909.1 580777.31 797211.04 850622.78 560169.87 1196438.57 988796.57 1008229.6 2088974.29 1174068.86 1659724.93 1116331.49 1520385.95 1044055.59 1519961.65 48775.3 54842.07 50473.71 49639.32 48686.97 48594.76 59264.7 50596.41 48688.95 4-Hydroxycyclohexylcarboxylic acid 77034.02 56502.24 7071.13 11995.89 79340.75 71497 21284.99 81350.1 79295.38 54492.94 21751.96 23178.71 49750.81 23394.47 62351.12 12174.76 23260.55 46997.02 18974.98 41646.89 108247.51 131229.6 34551.28 16071.92 87358.36 64964.82 20628.34 12614.09 46213.16 6627.34 35081.61 14404.81 35094.35 22050.02 41232.31 28405.01 39697.73 47514.6 7915.2 9772.34 17860.06 66055.91 7579.06 15634.34 34326.51 22796.03 45914.21 19155.67 11671.69 21152.94 34990.54 44617.86 7950.3 15909.63 39032.06 46300.12 9017.92 8243.27 47869.32 23999.09 7438.94 7399 56509.98 9519.9 22718.75 43805.48 60843.64 8933.92 19244.99 48186.03 35746.51 25369.71 10992.89 8258.26 3470.14 36773.14 36836.52 36622.45 35399.3 36668.66 35317.31 31468.56 36006.64 37389.88 Epinephrine 131381.78 102799.29 188263.9 208991.58 172842 188662.1 268999.69 172800.1 171431.79 215386.12 355779.05 389825.36 336203.01 230014.72 140150.76 413079.14 196628.01 146796.17 387530.82 208813.18 188027.86 70663.58 307814.11 275450.66 173949.27 150622.53 328026.45 346506.81 188420.6 159746.85 199799.74 467977.99 111471.87 298277.72 261691.46 154118.42 153723.14 118296.88 235376.36 187894.67 257530.05 270128.48 258688.25 160183.24 180048.27 227114.92 164104.79 243133.16 236733.57 460622.94 172803.27 107111.18 241045.59 313534.32 125359.95 100355.51 133810.87 152780 128900.68 73247.26 155029.18 156143.46 111404.87 194801.6 227070.83 146599.21 166231.81 206955.04 212205.83 155959.66 134545.03 250778.8 221515.78 300802.35 234105.73 247110.61 248874.64 245547.02 246825.44 278702.65 246442.01 243073.35 244772.13 247864.89 Ambrisentan 4591.7 5374.53 4139.56 9343.77 2154.77 7080.52 6394.2 14424.29 2517.59 3380.59 6488.73 8122.98 17153.62 2563.14 3258.39 4852.52 3232.18 2040.16 1995.02 67356.46 10667.96 1439.6 2368.34 22045.81 10538.34 5679.49 2369.32 2272.36 5049.83 814.12 3029.25 5455.74 2427.81 959.7 2460.92 38577.96 10152.43 483.83 16965.97 2009.18 23379.18 8783.51 2857.5 1766.21 8343.52 8505.72 3990.03 7012.21 1149.08 3098.67 2100.51 5825.48 5484.95 3648.36 3195.79 2676.69 5872.47 1374.89 3497.42 479.52 1286.76 2133.07 11883.48 1515.16 3722.3 5998.99 630.92 4815.84 5499.21 21400.93 1588.91 4199.8 1330.98 1992.13 18457.53 9448.1 9693.59 9199.07 9158.19 9610.29 9543.03 9576.73 6610.5 9148.06 Ribose-1-phosphate 1386.65 15479.82 11115.69 17048.5 15195.86 31719.78 16510.3 10370.09 18430.68 3518.49 8190.07 4105.58 4670.85 3703.52 15045.73 17416.24 13783.22 21998.25 4752.64 40761.19 16200.81 8515.99 3154.26 3531.44 2719.1 853.12 2517.32 1964.26 18368.77 2288.61 18764.55 5586.53 7546.02 2511.05 1084.78 427.77 4261.66 6325.23 1960.81 639.31 4955.92 1038.1 3484.62 1402.79 7968.07 8849.81 23916.05 8686.18 1065.22 9781.38 1489.37 4580.89 2849.06 2658.5 3660.7 9244.49 17618.95 13209.15 10711.38 9711.87 1219.5 3733.66 7607.36 7002.54 11044.8 4847.5 50877.37 5739.15 6502.19 8092.86 9716.48 5610.1 9098.52 7549.81 8799.24 10378.24 10028.15 10012.44 10017.8 9470.76 10236.24 10225.93 10024.92 10042.82 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone 27206.99 3305.89 3353.1 8730.12 30550.3 17206.45 1388.42 39154.51 40931.72 7493.08 34501.05 39334.91 71109.88 17296.97 16436.08 11590.58 5745.5 74014.17 9947.57 58891.31 32670.26 12989.54 8656.75 6776.21 36853.13 38098.2 5572.04 35982.73 16177.07 9691.62 33426.5 8702.78 10497.66 3109.63 7194.55 32333.14 28730.54 2110.42 6983.12 2444.03 53653.08 41297.5 2234.21 33912.84 21178.33 5834.15 6604.4 5019.38 20450.75 9621.04 18274.11 3017.4 22865.42 54107.43 14902.41 3209.23 2167.45 3634.35 29804.52 5092.35 2525.13 2688.06 5564.59 6661.51 8299.26 28851.84 33086.49 27656.8 19367.96 17838.58 12981.48 8077.62 4278.89 445.71 8089.94 20203.05 20397.28 20294.29 20407.37 20194.71 20402.75 19931.8 20396.13 20402.82 cis,cis-Muconic acid 4931.21 29564.6 4518.15 6681.58 3888.31 974.86 1664.5 824.6 2551.36 861.33 1850.19 3160.05 9294.03 19958.79 21165.42 3425.82 11749.66 47427.3 972.96 30109.17 2013.5 1567.35 311.67 5047.67 4730.37 981.81 1236.86 1870.72 5282.31 1444.44 37530.79 47808.67 694.34 11915.85 2340.6 4839.92 878.83 906.9 31724.88 3294.13 22221.95 18274.72 1330.53 2179.64 28650.07 15389.06 6213.37 5408.41 4366.29 38443.72 18648.4 30660.42 2267.77 18795.98 8134.37 25266.65 5204.12 1935.44 871.88 267.74 264.49 567.59 8156.06 1600.79 1569.66 8443.58 32814.44 2167.21 1795.69 1071.75 1243.59 967.71 277.4 8063.89 28241.57 9919.58 9891.62 10735.42 9999.02 9608.55 8266.84 10075.86 9191.5 10056.17 Creatinine 4473.59 7675.28 12617.41 14609.32 6068.97 11171.24 7015.01 4040.25 2062.52 10816.42 12896.16 12694.49 19360.69 10096.95 4096.96 18408.51 11602.58 4159.62 24715.75 10008.26 8131.71 4716.18 12225.29 12482.43 3210.97 10021.7 12100.86 11439.85 8547.86 5150.93 4543.39 18646.36 8584.3 15475.05 12547.4 3825.97 6983.54 3556.73 10916.87 11761.9 9621.46 6035.51 15964.84 9536.55 7066.83 9423.13 8594.88 18579.35 7838.95 18787.23 7108.48 4232.99 18472.98 21534.76 2691.83 8805.69 10061.98 7281.45 5786.34 3842.63 8542.64 8485.94 6197.11 16495.67 16500.63 8224.22 7755.31 9221.28 7856.08 4353.6 8598.52 10720.81 16478.89 15764.78 13706.06 6582.14 14574.77 34198.98 16332.14 25665.79 23804.81 24392.76 25248.82 6366.6 36942.51 34716.36 6925.03 40541.7 24724.4 35521.73 4203.13 38755.88 28773.83 32418.6 9444.16 34561.77 10816.27 13376.47 18643.73 9810.11 11163.63 10995.6 11378.81 11374.87 11368.58 11372.37 11179.66 11772.57 11029.06 N-Acetyl-L-tryptophanamide 39282.34 47684.64 31525.19 35198.26 52613.88 20999.35 28892.07 32648.6 36462.05 38093.71 31591.07 70001.98 96005.6 58531.71 48251.14 36595.28 26992.22 84659.06 71833.33 38039.63 34590.87 10977.22 32587.63 36804.82 46319.53 44370.13 29767.67 32751.77 75813.45 7047.82 55882.33 36392.58 17142.79 26394.99 21870.73 63521.14 32351.42 22657.52 17659.34 17610.1 88771.72 48072.17 27877.71 25441.78 73855.89 55152.05 50536.04 41686.53 26414.14 53528.7 28093.53 42918.41 29463.17 57920.71 32615.86 32455.32 21756.95 20832.68 27063.95 5940.08 15538.47 14638.16 34334.89 30830.75 28349.48 57811.37 53836.45 29783.6 33345.54 28386.13 25456.1 22639.78 20325.08 33895.13 37063.33 43809.68 43807.66 43702.12 43288.79 43826.64 43434.24 43444.93 43709.01 43445.78 Tropisetron 134306.96 114819.21 74609.95 62827.38 119262.77 118165.68 23528.77 102763.34 103299.28 102372.94 108705.47 145879.7 152593.94 134182.94 135997.33 124600.12 88540.03 170720.45 208247.7 191941.98 109624.27 112953.38 72843.92 99523.05 157172.38 170906.95 270696.53 116511.44 208603.34 89402.7 206350.78 479294.22 86957.97 82244.29 249345.25 129886.62 104458.13 140503.57 58258.57 75143.26 221506.91 217348.58 284280.3 78503.71 181061.9 119629.29 166581.04 123226.34 399171.88 163184.4 139901.77 154698.39 97224.98 127443.41 108700.21 217533.68 77500.8 74271.2 91110.1 59581.77 179124.23 172776.88 106285.75 130725 80867.93 140620.67 183304.22 85880.27 71383.34 107443.94 115503.3 86018.6 76867.86 122272.07 74780.95 125401.48 131038.65 133500.82 131203.39 131296.91 131099.5 128705.97 127522.2 107233.75 Fluorouracil 157911.06 134286.26 35792.81 12234.18 234128.24 315992.68 101034.04 244707.75 353953.8 112498.83 112740.3 147906.7 71235.25 74580.41 165802.6 101952.26 37691.59 246317.19 125503.58 354044.02 311921.05 235052.62 79710.83 62040.54 219172.32 169157.96 61692.84 61907.1 219858.16 39646.17 578141.55 79574.34 75519.57 67818.66 34522.94 138359.24 195632.7 117919.74 20713.42 32840.05 110938.92 140364.85 29964.08 20709.55 161916.02 57407.08 288238.33 87280.02 69616.58 140761.4 84172.97 100271.45 61826.38 45330.36 11708.19 82428.51 13072.14 12640.21 98804.04 65237.22 8408.34 3748.32 159405.27 33075.26 20053.68 148990.69 186982.83 30448.93 26073.15 153103.23 204885.37 69225.8 86982.12 13188.15 4960.24 45953.93 38750.72 42966.73 42825.78 32702.25 42896.2 28004.25 36627.08 41998.08 9(S),12(S),13(S)-TriHOME 36726.13 30943.97 214848.22 233466.94 3193601.53 1458565.66 1345923.99 34477.59 60204.72 30004.75 58209.68 111004.16 1231491.61 34562.4 86776.8 1149095.1 186308.39 84881.54 82430.57 53059.67 70286.67 148891.77 43751.22 80552.63 37470.4 68930.67 82442.9 105571.02 107389 44631.12 63177.89 149266.48 102634.45 74799.79 110144.82 61390.35 55495.69 36925.73 50509.27 80986.12 371528.1 140221.62 85696.92 76335.4 82119.27 601189.48 56123.28 128944.21 61548.54 210840.48 129695.27 83874.35 146393.9 169850.08 85897.63 82469.46 203601.81 99312.53 90018.48 255262.6 101921.25 108330.34 75084.44 154299.16 91594.06 160428.68 104998.85 54121.24 89914.96 72119.45 62161.92 36192.44 99993.78 187585.46 179090.13 5784.15 7803.81 7364.07 9050.55 11704.86 8640.27 16380.26 7947.25 10586.67 7418.81 7517.71 6360.36 11283.71 8520.22 5158.52 16242.47 7261.01 10205.05 10361.37 7253.97 8917.29 13544.65 9040.05 11885.72 12759.57 274071.71 272500.52 269738.48 272510.04 274049.61 272514.33 274062.4 274078.23 275698.35 Suberylglycine 7403.28 2279.6 6169.95 23529.47 23341.4 10334.32 19774.17 8051.25 5792.72 14652.96 8626.76 22923.85 46177.07 29025.83 15577.45 9903.25 3847.07 22684.53 18974.79 21815.78 8644.18 2080.72 15114.49 18099.4 2794.95 2725.8 16785.4 9709.62 10157.22 4753.99 9710.33 8988.61 3387.99 12564.92 11341.48 4967.3 10204.97 1632.33 5129.91 3244.5 11636.49 8042.96 5643.64 5232.82 7332.49 20437.1 5920.09 8856.31 21341.26 22268.65 5625.81 17572.22 7678.8 12065.22 6557.22 6131.81 26719.23 2414.61 6445.46 7312.31 11659.49 8197.33 5590.79 5456.37 2089.42 14826.54 9797.76 10594.54 6473.93 3248.54 5203.64 3726.38 9865.45 6761.15 13880.15 8650.6 8620.85 8093.94 8258.22 8002.2 9386.24 9393.76 8719.08 9670.48 8553.37 8126.04 8302.18 7387.98 9299.03 7989.1 7226.22 8374.97 8944.37 9128.53 8738.89 7787.38 8959.4 8380.75 9252.91 9069.89 12956.9 12660.1 12340.3 12311.86 12661.01 12307.06 12604.37 12707.69 11262.73 Daminozide 134723.06 104083.79 68041.42 157301.5 1125872.27 419469.42 282107.41 197238.96 192622.28 118090.54 118745.52 275677.94 467546.44 88088.19 159308.8 446075.52 132765.77 164770 263296.21 171403.09 222978.1 141556.52 113712.3 81400.75 186130.79 156061.63 153053.75 76921.31 273643.47 174119.76 146523.63 434941.75 176433.83 148356.36 114569.03 127039.3 122401.39 90942.06 55498.36 64635.21 191553.17 301509.59 74672.46 72989.46 236480.5 319459.25 138549.28 99256.09 288901.76 425770.34 222817.71 103514.38 121554.36 266883.9 259971.5 118990.82 79903.66 29905.76 214383.69 193159.79 61809.77 100556.19 157810.53 105971.96 72838.45 298980.83 165290.84 99920.98 86488.91 130633.67 122663.15 136068.3 101929.34 120139.1 215023.3 224294.42 228418.83 226010.32 223977.78 223730.62 227614.8 223744.76 223704.16 228304.59 2-Hydroxy-3,4-dimethoxybenzoic acid 40930 19474.13 34414.96 90302.58 89781.44 2195.65 108035.07 80758.52 96544.82 72208.98 134918.21 178609.44 154056.46 20846.3 64402.6 81981.43 40548.71 82589.72 42184.86 19503.01 60990.52 6383.88 39236.16 38741.37 89154.29 65904.06 90242.46 166004.47 66762.46 198097.46 46175.77 90981.21 30193.75 204839.7 214021.74 59893.15 84765.14 68965.09 40698.77 236901.65 44430.53 56489.7 149147.46 669.09 87373.3 203094 93096.46 45724.49 70850.84 85205.01 143605.94 74175.56 228322.45 394984.41 232089.07 57055.78 17180.11 108703.89 79498.5 137566.73 17516.06 28066.17 91781.96 369118.14 99687.41 218038.62 61925.86 20550.33 27149.26 53554.52 53590.89 34773.03 150663.85 257861.44 115329.24 111049.37 106132.3 111285.27 111291.37 111185.17 111057.75 111286.97 110433.42 111077.53 2-Naphthol 611.18 6038.86 787.59 10074.57 31530.53 10164.11 23185.23 2328.13 2819.32 1778.6 886.5 4409.27 32583.5 2286.76 9599.17 6970.74 4403.52 4789.41 14721.08 1242.05 828.6 2784.52 594.38 2692.38 2585.92 1646.45 4974.58 2320.8 10198.14 489.36 2726.01 1129.08 5144.34 3758.77 2531.15 4230.07 823.72 863.85 3374.45 5159.7 2900.45 2803.78 3135.41 3604.37 547.96 27324.16 2376.25 10399.48 12911.74 9863.52 1819.9 1062.21 3038.58 11551.12 1606.68 2992.54 4836.31 1677.78 1588.97 1264.54 1987.43 5686.71 1446.91 1726.92 3895.96 7447.49 2316.39 18519.65 4289.49 458.61 974.86 3933.28 1211.49 10638.43 11806.69 6914.52 6921.17 6676.25 6819.54 6841.7 6918.99 6915.53 6831.18 6732.13 Decitabine 171900.86 24644.47 12292.32 2044.77 205178.71 22105.03 24627.69 249673.11 283621.2 50230.65 229654.55 248628.04 504841.43 102300.52 101816.68 82689.04 38938.41 515289.55 63666.66 377441.56 209540.92 2967.15 15933.25 44191.47 228750.69 245494.08 36496.5 230644.17 97183.96 62138.92 208295.93 66033.26 67358.63 20967.59 46829.11 200765.43 187221.84 18934.65 41388.6 19968.91 355434.87 251685.71 19233.96 235401.76 133265.36 37614.15 44064.72 35318.19 122810.22 60213.53 114328.27 35856.63 145338.2 367597.4 88195.49 22381.02 15225.7 8996.9 175056.29 6513.29 13628.54 1791.31 39819.58 10106.3 13950.7 187835.72 211960.09 161640.27 122335.57 115169.69 80147.51 5220.28 28315.28 14578.03 44393.04 128252.74 131754.83 128266.1 128282.63 126410.9 127181.05 127188.44 127487 127995.1 L-cystathionine 3689.12 8200.24 10671.85 6341.83 1444.44 1734.97 1284.55 4889.7 10692.92 9625.38 19304.36 587.42 7557.95 9751.63 14097.82 18363.79 24600.84 4754.09 4412.8 4929.14 4734.72 2608.73 16862.54 11718.53 11327.67 19140.36 8699.37 10355.21 936.85 5140.23 5207.85 2204.12 947.69 9384.24 3868.34 2730.31 7356.11 8590.88 8512.67 11251.83 2411.97 579.06 11705.99 6525.47 3422.59 14590.04 5574.54 1814.78 2135.86 3996.89 25183.17 11127.38 13166.9 16132.99 7312.1 10647.32 23123.49 9712.48 3564.17 4145.33 7859.17 7937.53 10979.65 17083.12 7401.62 16970.12 8047.76 9080.61 12402.93 7902.62 1183.1 18358.88 7744.45 15949.51 12752.08 73574.56 78811.9 62784.84 77198.03 60986.02 71818.25 74290.64 78945.05 77717.47 77643.71 84910.31 79012.89 72578.61 70033.08 80882.13 70339.98 78321.4 62424.16 72897.23 77472.25 69024.49 70133.8 76654.18 61872.52 75159.41 9594.32 9076.84 9858.65 9608.75 9569.2 10142.01 9860.93 9780.69 9897.18 4-Methylesculetin 29599.53 62580.65 30780.45 52830.25 49550.59 109785.92 55710.18 27965.73 78573.31 35438.01 68608.98 101749.79 93943.07 108874.5 39176.25 61154.14 32862.73 144406.62 138191.72 140520.99 37588.53 78338.07 41147.59 37702.47 28236.06 56455.24 25724.18 47513.88 58056.59 36648.91 144171.17 221806.12 15673.64 29253.64 20178.39 49568.64 2528.49 43572.96 7554.86 2989.53 79332.69 71744.07 21054.23 27851.25 121229.69 40431.78 50625.43 52400.38 71341.33 139091.3 25745.28 35612.06 11080.76 12815.81 6524.54 40687.06 18879.58 7695.41 7999.22 10162.18 7304.65 564.7 12441.5 8982.96 34250.43 24305.55 117039.94 21899.4 34710.92 5532.85 22198.18 19921.89 8304.79 14223.42 13415.28 42184.64 43589.73 41919.77 41002.45 41951.77 40713.58 41969.43 42750.51 44893.54 Arg-Met 6270.84 7824.75 1388.59 7584.73 10014.13 6485.88 8450.29 3376.45 7924.14 10437.21 12879.4 12415.97 21189 10638.76 1203.16 10835.36 6424.31 3739.16 16152.63 6886.43 6347.08 4041.77 12597.03 8494.03 2339.18 8270.96 9641.73 14976.82 13704.13 8743.06 4516.6 12309.87 4714.52 6201.79 7532.29 2353.88 1920.7 6848.82 5853.25 6311.4 10662.51 10442.83 6612.53 4846.19 5583 10162.46 4194.04 7646.02 7702.58 13035.15 7312.73 4460.25 7274.83 8482.13 2428.18 6385.98 6796.05 4777.55 3206.83 2078.22 3442.82 5325.47 2005.06 6720.75 10212.9 3521.1 10769.45 13147.41 8681.35 1201.61 12395.07 7991.36 4318.48 5958.24 11055.45 7907.67 8194.62 7590.66 8177.69 7853.66 8029.37 7599.51 8655.7 8158.87 ADP-ribose 605.25 6868.01 1101.04 8540.06 1780.75 18798.53 5096.84 896.39 926.29 2369.41 3722.12 5568.33 3694.87 2083.66 445.51 2617.74 4240.54 1716.43 453.9 1811.25 450.73 1308.37 1546.24 5063.17 2755.99 1521.43 1845.76 1717.36 988.65 1751.59 2048.91 1644.13 1742.21 512.09 546.04 1613.08 683.75 1552.37 757.87 2045.54 460.54 535.92 2720.45 5662.86 2116.75 1140.38 903.4 1938.69 1457.27 1535.4 1228.28 1276.45 1963.88 2494.83 3963.8 3761.35 35680.05 6490.76 2051.25 1563.9 6043.66 1685.49 5753.56 1166.22 1426.07 2981.59 571.87 3239.47 5462.19 1757.64 3300.45 1044.83 639.2 1493.16 1773.35 2101.63 1209.45 1637.86 1797.08 1541.74 1701.27 1826.14 2097.61 1488.67 3-Hydroxyflavone 18351.88 2137.25 502.18 1126.74 11531.04 776.49 557.95 33132.56 11885.72 3867.54 4557.86 27877.11 435.83 5228.65 6388.21 10986.99 6252.53 19432.52 5531.66 24789.27 8772.53 872.03 1448.1 622.16 38491.27 6347.71 2590.36 17789.57 38377.6 20709.55 59837.92 14409.72 2330.69 1953.11 447.96 40871.03 27094.77 1354.47 2942.04 5878.03 31139.1 29296.2 2196.61 2796.94 25143.84 3022.98 53082.48 6961.55 23169.23 37916.58 7135.79 1181.92 1425.59 2901.3 8229.95 8844.78 376.55 3470.31 13457.82 2058.24 853.47 736.59 1481.12 2631.27 8374.75 11662.73 6629.38 14641.3 23083.33 21289.92 10371.95 3441 12662.21 2306.76 4118.34 12834.31 11928.04 11626.05 11750.39 11042.85 10883.19 11021.05 10112.19 11757.63 4-Hydroxy-glutamic acid 5274.86 2591.11 6420.18 8038.73 3231.8 8083.9 29136.89 2671.7 6514.96 4292.81 5927.59 2227.39 10607.98 4587.04 4190.78 4129.18 2147.51 1246.53 2003.87 1283.62 6839.1 379.96 3747 4281.51 2181.22 2555.97 2868.77 4537.01 1593.62 838.29 2114.82 1738.96 1117.4 6040.16 4559.69 541.92 2429.16 3793.5 5882.69 2117.19 1010.15 1869.69 1474.54 3608.83 1520.83 30632.4 2165.6 415.63 7231.59 3156.63 5064.97 2344.97 2281.85 9267.9 2007.76 1023.71 9284.99 2346.97 1826.61 2669.75 2445.19 2851.06 4804.34 3015.48 1178.61 3405.31 4165.99 4189.56 2907.1 1541.21 6669.07 956.17 2111.65 2847.87 18484.46 5489.89 5126.89 5328.87 5319.28 5079.81 5115.27 5361.63 5108.5 5333.13 Glycyl-L-tyrosine 23915.89 13315.77 2223.18 2134.17 20178.56 12057.94 5057.29 18760.37 12594.05 13237.46 8780.64 11370.33 10459.06 8109.86 24510.38 21786.42 11087.36 40346.23 6265.25 29264.15 22854.72 11630.6 9740.15 9355.75 20108.66 15390.26 8579.7 15888.54 34173.77 12537.18 48322.76 11003.31 15102.04 4376.57 1583.25 30283.65 24964.13 7148.28 8782.09 6462.5 41139.52 54469.08 3483.07 7653.07 36495.32 4772.43 67659.85 17909.4 15254.44 40475.17 16953.74 6463.05 5360.15 6226.21 15482 9359.77 2454.27 1673.57 26738.5 2204.31 6866.86 2611.66 12671.44 3673.48 10600.28 13791.37 28799.31 11541.05 16309.54 24634.42 33566.16 17205.83 14777.34 5234.39 8397.97 18755.06 19323.96 19363.47 18862.64 19288.72 17622.93 18704.57 19057.37 21169.87 3-Deazauridine 9624.85 8035.75 3574.76 2914.41 13422.83 8000.32 3468.94 12958.62 13951.09 5981.88 7122.69 12322.96 10832.45 4394.59 7158.8 5857.96 3989.24 9553.23 1968.12 8584.91 12858.08 5280.63 4839.26 6078 14222.17 9494.11 3652.14 5252.81 6756.58 1598.31 8600.29 1607.75 5801.45 3405.15 1653.15 17846.5 11975.8 5181.29 4835.72 3189.36 16386.37 15901.6 3657.32 2809.11 15689.3 4689.8 5055.13 3837.53 3893 3170.02 16588.31 6195.6 6757.78 8010.27 7075.32 7163.77 2718.89 2569.04 11363.75 3053.99 1661.16 2834.71 1628.65 2892.46 4792.62 12105.96 16042.24 6947.71 7950.68 7800.75 7865.5 5769.76 2346.84 3593.71 797.35 7859.06 8101.87 7593.71 7560.52 7562.19 7825.54 7685.69 7584.59 7552.29 Isoliquiritigenin 73507.53 8418.77 1505.86 2065.16 26504.06 19222.34 7469.17 56990.46 42190.17 2103.3 863.93 28142.02 7863.92 43843.03 18588.98 9261.34 6571.49 60038.08 22836.26 42554.31 41982.83 349.33 18915.74 10984.25 49786.12 4044.64 14138.99 35471.71 24194.25 36053.06 9488.37 10048.29 19531.54 9054.09 12962.27 16903.01 44197.68 4481.33 19133.59 15669.9 26983.28 16999.02 933.23 26544.47 29123.42 4261.78 21103.74 14836.54 41993.74 35481.77 40781.85 11470.64 2591.25 4234.3 11588.68 18909.4 1526.49 1557.9 2866.31 799.22 3857.16 14664.32 28001.67 2899.4 6416.3 56774.19 16229.51 42251.94 35983.12 60267.3 28809.88 25176.94 27757.56 1559.75 4722.2 31065.3 28822.74 37424.45 44048.15 34231.44 37366.02 33907.7 36827.01 36770.11 Ozagrel hydrochloride 4354.86 7233.66 4338.31 3734.3 10456.66 10022.36 8457.28 11365.72 11021.06 4156.36 10643.76 18014.35 20667.3 690.64 12887.92 13499.82 7026.81 7778.59 7751.93 1393.97 7978.94 3627.97 5603.31 14157.46 8688.27 7819.62 7946.6 8790.36 812.92 5280.62 5644.09 8388.2 2941.7 1478.03 2406.85 4419.42 8590.95 673.13 4561.64 7358.15 6447.28 10577.95 3613.16 4751.32 5573.23 11495.6 6408.93 2767.24 8791.41 11772.58 5310.09 4902.62 11294.65 15443.57 6169.13 7158.21 6650.2 1965.28 4401.12 3463.78 3531.44 1540.17 1872.5 7004.16 13054.6 7496.63 846.11 10539.88 5959.41 5218.22 1724.35 4609.24 2467.71 8712.06 9035.74 8463.23 7827.12 7339.09 7681.5 7950.03 7856.76 7654.97 7937.21 7938.85 12-Hydroxydodecanoic acid 21107.64 13228.91 6230.78 9198.65 89842.47 33306.65 3937.55 34784.57 34958.05 22963.12 17264.36 64759.27 38754.81 31433.91 17270.38 43706.78 11722.09 39252.93 33564.06 30450.57 42574 20553.18 15720.28 8396.52 36767.37 27028.7 22423.38 13180.78 39658.98 22246.24 33008.73 77274.2 22805.57 22644.38 16821.08 23439.13 25407.01 21721 11042.42 8021.48 25717.9 53111.08 22729.17 6364.14 42692.88 24021.47 21793.56 15483.59 41495.11 43602.43 57383.72 23092.02 16819.92 18132.21 30374.25 30437.58 8818.73 3577.83 64971.81 16883.56 16739.07 21561.64 22844.91 9126.74 7959.39 34431.22 21476.24 14166.74 14177.94 24467.17 30561.88 19400.3 11284.46 14177.12 16659.49 33682.27 33366.05 33380.25 32605.15 31824.42 32152.19 33582.16 33437.25 31811.04 Gastrodin 212151.49 89268.29 10951.87 16489.05 382629.58 73774.75 62528.28 469613.28 554157.08 226169.24 91514.49 264508.19 52159.51 119589.64 274176.25 291630.67 98079.03 338711.92 227642.47 615972.54 403214.46 16769.73 75192.9 113561.96 472861.94 411161.28 140288.24 220140.59 458439.22 282329.31 746564.21 271810.59 237014.07 65712.43 25335.95 388005.72 316599.57 97317.85 102235.46 136569.92 490159.98 560124.77 30553.93 46224.71 422063.39 131869.74 554840.77 165252.46 262214.34 201348.12 287929.14 128881.49 20919.65 114365.55 256007.13 88795.66 2849.13 13379.33 298651.49 94617.6 51885.55 46986.98 163073.13 100482.13 169467.93 319770.13 303887.61 152158.39 209400.2 421393.68 446565.25 215018.12 274589.01 166341 133046.13 243907.01 168780.69 243215.94 235033.39 266575.51 243402.61 242674.7 220153.64 234043.6 2-Chloro-2'-Deoxyadenosine 6789.61 3525.03 2106.47 981.48 8050.49 8328.52 33387.94 549.39 926.12 6205.72 1308.69 1755.95 2535.73 2723.81 3169.18 3583.05 1413.64 3147.06 9648.62 3011.89 2196.57 4299.95 13364.27 3801.89 1440.25 1041.52 17415.28 2107.42 3898.26 2115.36 1845.54 2162.12 2105.39 11208.17 2175.31 2048.44 2044.25 6433.5 6089.13 7439.82 3289.75 6012.11 2602.66 817.85 4467.78 4660.27 1790.99 5342.78 2907.14 1688.78 6570.99 1123.69 1336.05 2034.01 780.65 2459.87 4972.56 1178.12 982.75 1579.64 2301.64 7204.52 745.44 2820.91 4960.12 2302 2803.57 1558.18 3441.08 1005.14 2736.26 9107.14 4817.74 2218.16 782.16 11666.53 10970.41 11359.46 10888.05 11236.32 11880.43 11508.91 11928.53 11357.35 11395.05 10790.97 11348.44 11165.96 11635.86 11604.59 10770.55 10761.83 11333.72 10782.92 11373.68 11497.91 10991.98 10408.1 11590.51 11081.55 3387.23 3503.3 3449.68 3383.68 3492.12 3505.55 3408.01 3445.77 3198.1 Baicalein 8032.35 7822.85 14092.56 31120.34 2264.22 81304.65 38708.08 9748.41 13015.01 45513.05 17297.04 14915 11822.84 11760.93 4953.68 14997.04 3620.24 2598.49 16405.02 16335.39 17606.4 37400.19 21424.75 21111.49 7583.78 14124.01 10247.29 15097.89 5802.41 8105.38 20772.6 19631.32 3621.49 14909.91 10414.72 4914.66 11920.99 25015.19 14597.3 11720.09 13200.98 3385.57 3014.27 2775.81 9373.28 13391.45 10114.15 14254.03 12712.09 15227.85 3848.37 5874.32 6092.84 10783.41 1171.79 7868.73 66006.23 12685.77 4682.79 12261.05 23262.82 29520.9 3829.39 3322.67 10230.1 3298.22 14098.28 2902.19 6072.63 7801.83 5516.5 70149.06 26677.75 10874.07 3773.86 19275.79 18354.72 18617.81 19228.92 18653.04 19126.93 17333.47 19177.95 19184.04 6-Methoxy-2-naphthoic acid 5339.98 14860.51 41238.98 18431.85 698.81 5655.74 5015.66 627.99 2389.1 5879.88 1416.09 651.68 701.04 10235.26 13923.29 13795.65 29320.52 587.73 2524.72 584.88 5157.47 3782.58 8523.56 15019.08 6019.59 2091.98 6348.48 5076.63 5612.34 10642.2 1671.09 5444.54 3892.84 467.3 995.86 635.54 11837.22 6796.14 10519.14 8523.05 9012.27 411.94 6633.74 5935.76 3992.09 431.72 1884.52 4396.7 883.57 1356.5 6931.21 6341.34 5592.29 14439.16 11967.27 17007.91 81317.19 28696.92 4792.68 2906.41 17792.53 9400.02 25936.68 1272.8 2033.93 6451.62 2517.31 13598.67 17992.91 6522.21 1621.89 5089.3 1445.77 3372.22 22933.64 5477.18 5873.65 6359.48 6235.15 4770.15 6064.45 6210.62 6476.69 6231.93 Pipecolic acid 11263.19 8777.49 4824.98 7939.23 19631.1 14300.68 8231.46 12940.65 10671.7 7824.01 9626.08 15044.9 18349.31 14225.49 11140.65 11807.72 8038.27 19929.97 18133.42 15101.23 10520.22 4400.99 6261.75 8355.72 9848.92 9277.31 6864.92 9663.66 19397.96 5080.9 24740.22 41511.08 7087.72 7789.68 6807.27 16487.99 9898.94 4721.14 6554.66 6189.21 17935.89 27053.87 8491.13 7601.04 18398.77 14397.22 15596.89 11078.03 12877.08 30037.13 19901.63 12666.83 9589.66 14968.23 10097.57 11584.48 5017.28 4412.28 8183.86 4141.14 6511.1 5512.93 7775.23 6278.09 7167.34 14451.86 11791.26 8501.15 8995.63 9788.17 8364.42 6851.16 7819.97 9036.8 9219.69 12356.51 12251.13 12465.49 12356.31 12852.08 12415.2 12357.59 12482.68 12466.1 Pelargonidin 3004.52 10525.48 13196.58 14803.64 1894.41 4777.39 8199.39 2438.36 1263.37 9312.47 3794.37 4396.56 11401.81 7009.09 7245.42 9205.4 24943.02 3173.14 518.29 2031.71 4178.48 6087.58 4592.29 5370.07 2856.01 4531.48 10753.26 1911.26 2195.38 11376.51 1486.06 7056.82 1614.41 13616.76 7588.87 1512.77 2136.45 1736.77 13773.13 9056.55 6067.22 2117.69 11659.23 9673.49 2489.39 17731.83 671.22 2883.47 10165.34 2940.19 7058.01 7812.18 7487.97 16919.39 5707.55 7094.39 23442.55 16108.92 1836.63 5177.31 8903.56 13347.29 13438.2 14603.21 7952.35 3062.47 3059.07 6760.06 14957.53 789.91 3593.69 3776.81 10582.83 10173.09 15293.62 7030.15 6886.68 6540.91 7152.95 7702.05 8042.08 8129.75 7595.47 7006.08 Pemetrexed 107370.69 133899.49 16404.16 34981.37 242143.66 334788.97 102785.31 183353.53 255492.26 61605.92 51922.35 33614.81 523.77 30085.55 205476.24 88429.88 36661.01 209502.81 35682.41 469523.87 207340.07 129812.9 33118.24 19147.26 155423.53 200264.83 27703.45 32703.54 177060.01 4023.96 287055.72 84245.01 140768.13 29307.58 24049.16 92100.76 149182.18 82754.99 20117.15 21218.66 138329.05 226458.94 30109.2 22283.93 183712.16 41467.83 228762.69 40737.71 25377.32 104135.07 95838.22 102191.84 30367.32 43788.31 72233.42 100524.42 17341.82 20983.74 99486.87 63537.27 15909.46 13983.53 59772.03 4973.55 36120.8 123667.5 203494.01 22011 34071.66 138964.7 185427.56 60358.41 26351.71 45702.72 18624.92 96663.26 98575.3 97102.49 96344.76 94969.41 96953.55 97069.55 97102.99 96348.74 Xanthosine 62868.7 39657.82 20052.4 52922.63 65958.48 1082.01 78634.96 105925.09 191535.68 109978.52 222005.82 129130.79 101825.39 31781.72 108026.13 86781.7 49693.7 133178.7 65394.31 44770.27 160897.36 16329.7 39828.53 65041.46 116740.96 99817.08 122273.71 188503.51 81221.04 140777.38 92653.57 90403.34 69016.51 176100.84 221285.02 62783.8 129399.41 1957.51 46205.19 303350.4 17287.97 38229.17 177997.5 680.62 86888.94 136153.31 159419.38 96630.79 80705.2 78713.84 131739.61 98251.68 206426.09 215181.69 74127.58 76417.28 5060.18 145912.68 105116.96 53878.44 22165.28 34923.96 143586.31 286714.89 155217.37 176297.3 165725.81 28157.51 44081 109774.28 79600.31 43819.94 169556.36 264428.5 90633.79 121389.96 121293.89 126742.01 122557.83 121611.65 122901.46 121292.46 121331.31 122904.21 Terephthalic acid 19557.9 15580.07 11379.77 16672.44 21544.55 25792.96 28174.24 25906.44 26425.87 18245.32 17538.17 37156.95 42962.82 24112.02 22220.91 30030.39 21879.93 32395.13 38441.64 40571.16 26089.05 15784.55 23047.44 19547.79 19424.16 21917.11 14897.71 14244.9 33717.75 15252.67 33406.52 38724.92 11044.57 10345.55 11726.51 13135.03 7705.89 6327.07 11982.42 8310.45 28581.15 25783.1 9586.44 11137.97 20280.31 17494.18 11042.83 25003.55 22410.8 27478.96 11210.6 7049.52 16126.35 12584.6 8194.39 13399.47 7503.46 5845.78 9587.88 8748.44 7772.08 8747.61 7023.96 9782.49 17412.3 6452.13 19619.51 14587.74 19862.38 7119.02 9149.4 9832.52 7772.85 13820.36 12542.86 16250.2 15941.31 15890.81 15122.61 15677.17 15287.03 15893.53 15913.64 12048.87 Maltitol 4831.88 4069.48 3479.49 3978 7795.13 3445.04 49785.68 9880.81 4536.13 7602.74 36627.19 37027.6 51656.94 31708.66 3988.94 32748.69 18369.65 4848.4 20062.22 12541.1 8381.88 11467.95 6041.24 33244.23 7436.84 2264.33 10984.35 23702.17 3946.64 1318.56 5830.56 7771.16 2470.24 31842.8 12082.3 3962.77 3900.55 1283.31 7106.56 5751.4 4688.58 3381.3 4202.13 22179.9 4409.12 20178.41 5502.28 7000.51 4862.55 21681.42 1950.84 4649.58 27270.23 36888.74 1761.5 2908.67 9144.37 2578.77 1198.34 2083.34 14870.11 13834.88 3263.48 1380.91 2910.96 19832.02 3061.64 9248.31 22286.23 5447.36 9109.24 12000.57 21001.32 4446.51 29444.24 19753.78 28953.8 22318.24 28277.75 21161.54 20023.67 27182.55 23434.9 27446.16 17470.41 20807.75 14885.47 19643.7 20819.6 16057.24 26337.7 23408.93 23010.34 42798.03 26089.31 36275.06 25937.89 33744.31 23729.05 34160.57 9470.21 8851.79 9700.83 9108.2 9608.35 9075.48 9579.71 8901.48 9243.09 2-Phospho-D-Glyceric Acid 4176.14 1424.46 3634.24 689.11 6391.13 63811.13 44857.61 4104.4 6290.21 85938.01 5137.68 7456.5 668.31 4841.41 3862.63 5881.69 3476.43 8104.8 5648.25 17108.13 4854.37 24750.64 86766.12 80659.04 4591.19 9152.83 59346.55 4393.05 12227.89 4823.34 12125.86 10061.92 5739.79 96813.17 5916.89 7382.76 3237.72 102867.25 65437.1 57867.36 10719.34 7945.78 5763.67 6309.14 7728.15 5155.29 9157.06 6746.14 6508.06 12022.26 4389.33 4816.96 4586.74 6248.01 837.06 3811.12 29850.29 37537.81 1595.75 45819.5 42651.43 40853.63 1000.02 2755.24 5739.13 3997.77 5377.91 3992.19 5832.75 5415.7 6712.81 58929.48 4792.59 6019.63 2836.15 19297.06 19330.83 19698.1 22189.43 19926.24 19956.17 19948.56 19613.33 19299.4 3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)propanimidamide 2433.46 15490.59 8346.84 686.54 8269.33 670.4 22728.08 25897.79 43313.09 25119.22 34318.78 53453.9 11056.03 24803.53 8320.48 20493.22 4141.66 34715.6 36214.33 15498.13 23586.35 10843.67 15825.84 18092.54 12701.93 4689.49 16402.13 19542.29 7884.89 10579.93 44940.17 66070.81 5802.94 2254.68 2802.98 18216.81 7416.81 771.82 16022.85 483.83 28625.27 12778 1611.82 15134.82 39080.92 24469.36 8370.77 25437.57 6598.17 40565.53 14361.72 6163.28 20980.74 9318.16 5818.95 382.71 1155.5 5962.61 15038.73 6700.89 3216.79 8097.17 3409.53 541.05 623.76 1982.72 8427.5 23165.84 29686.02 4041.8 11629.84 12512.84 16647.93 609.33 1335.46 10683.25 15285.07 16333.43 19075.3 18575.09 9118.49 13313.72 15042.24 17874.09 21630.6 13795.77 7355.7 21389.38 15452.24 13988.33 16758.14 14027.82 15508.05 13565.69 12624.3 10745.5 14060.6 23048.21 14617.89 9463.38 14857.44 15536 14765.33 15262.55 14413.49 14363.15 14494.6 16398.6 15024.42 Clobetasol propionate 959.69 2617.34 23918.15 8711.16 1375.54 2476.37 791.3 181.9 1567.77 859.44 3943.81 793.14 1166.32 3033.15 1496.55 4439.71 10175.17 1166.82 174.38 2415.72 1311.67 4856.01 1891.2 2983.84 884.73 267.95 2179.72 349.27 402.29 206.21 1622.11 2918.16 4021.29 5557.63 3845.43 1579.31 488.55 2603.59 420.17 3488.91 1084.79 655.25 2679.81 3315.95 826.44 784.5 706.39 191.66 1890.28 2782.97 456.23 4589.01 770.12 2415.25 1518.7 5712.93 42714.26 18662.7 300.6 7912.08 5346.07 1303.92 8842.03 9607.09 3755.02 4731.57 820.56 1164.5 2598.29 831.15 314.52 1146.98 2269.97 11914.03 5485.77 27362.23 10358.24 24815.8 24952.34 13459.47 65857.53 46246.18 17519.38 13962.95 59627.93 116713.08 33368.78 11556.39 16426.33 108604.04 40251.34 43224.6 54749.07 17001.42 26552.69 32124.13 31007.99 30342.72 47067.67 26960.9 6973.08 6631.09 6594.14 6957.87 6817.07 7309.83 6962.75 5154.8 6613.36 Pivalic acid 16207.71 19961.26 19761.2 4977.13 4649.51 7902.1 4326.37 9705.33 10698.29 6558.31 8149.65 5434.03 7120.17 5519.63 15170.87 21190.35 8093.26 7143.94 7827.94 9536.66 25952.93 24162.07 23125.68 10933.49 10404.07 6337.56 18170.59 5165.15 10956.04 1399.01 3054.33 4371.11 4195.62 6762.68 4741.02 2597.54 4847.44 3894.19 3579.69 3845.83 3483.39 4430.31 8061.68 3802.19 6614.29 4270.85 26899.16 9451.39 26422.07 5436.93 2688.25 4955.57 4691.79 15177 1141.81 7638.01 6929.38 4796.24 5941.96 5573.67 4145.64 1461.74 4437.37 5404.86 6818.36 17340.98 8796.87 6020.08 5618.15 4875.71 8585.52 8446.42 5224.68 5434.33 5987.41 12176.97 8997.65 8361.42 8469.59 9411.51 9715.3 8885.32 3073.59 8213.14 6-trans-12-epi Leukotriene B4 33492.9 50972.49 47570.78 32670.45 36980.07 28592.97 26177.8 50995.31 30999.29 36360.76 51306.52 54263.1 58257.09 33368.99 27142.31 57558.16 42600.19 30519.82 74530.62 29958.21 31507.35 34617.18 27776.27 43864.63 11756.98 40874.02 20794.52 45939.75 51771.9 17820.08 20808.6 19859.1 28658.89 46419.73 39175.18 26105.44 26296.53 63328.51 32867.08 24531.04 34427.99 74918.76 38046.36 28347.77 49555.33 32053.85 42213.33 41656.8 20595.43 41660.59 52870.71 48376.92 30596.66 29279.02 49588.83 67430.71 45246.01 26291.53 22342.54 27413.83 30277.03 24712.79 30848.19 39006.08 39095.83 19953.07 28635.26 18003.34 18556.93 45318.18 38969.38 47439.71 20799.68 53100.04 60865.68 6770.87 8002.1 8570.03 9204.07 6536.49 10818.97 11956.03 7674.02 5292.94 12841.41 15789.36 8251.23 7625.03 9569.56 8218.1 17019.28 13831.86 12583.16 16721.01 9442.65 9989.43 10361.94 11349.67 9420.79 13537.19 45816.83 46445.05 48597.52 45976.32 30963.04 50618.45 48852.88 47048.15 47264.97 Valylcysteine 4676.47 3160.94 1102.93 23265.72 39856.56 40556.66 56926.3 4981.52 4281.17 2352.61 2098.43 2162.62 21809.56 1675.58 4909.12 1343.44 1628.05 7306.14 6287.06 11731.25 1108.25 806.38 1600.4 453.75 3192.85 535.26 2322.49 832.11 683.02 4032.67 4471.44 8769.81 2706.99 3447.05 1811.39 459.27 2856.03 2154.79 1516.33 3372.85 2265.53 628.54 1516.42 1563.69 4023.4 42030.18 4766.13 3368.99 3788.31 8742.32 4468.09 3477.21 4257.56 13496.4 3759.85 3317.69 697.51 4204.28 4762.57 2748.25 868.65 3294.66 3409.63 1179.39 4506.67 4873.8 3064.34 2265.67 405.82 4741.16 784.51 2313.94 1063.26 1185.39 5084.69 4359.71 3504.34 3467.28 4281.35 4096.38 4311.61 3901.37 4099.52 4231.38 Pyritinol 35334.86 18127.46 928.57 1972.57 28886.32 1685.26 6158.94 40868.82 20039.12 26454.78 10335.26 33186.31 8002.67 15327.82 26638.72 22372.61 14247.25 24308.28 14725.05 15150.75 8758.4 788.3 5830.08 5361.9 60679.58 40195.6 10980.51 40972.18 47440.22 100680.51 15181.57 31094.33 13274.86 1729.29 5130.44 58317.06 44420.38 4111.87 10378.78 20628.97 48572.77 88467.27 6985.08 9452.62 56251.72 11479.04 51591 3717.6 52408.15 22177.13 82427.64 3964.72 7157.83 14813.58 113714.73 14307.84 2857.16 1288.73 48254.25 5461.41 3422.41 413.03 9640.33 9365.3 13560.32 28502.62 6820.31 33352.81 40365.35 26466.7 50056.73 22472.95 35333.9 6839.24 13343.65 30345.15 30837.48 35900.76 31664.3 29564.39 31233.32 31616.73 31506.69 29537.52 Carprofen 2021.04 1521.56 825.01 1897.78 2113.83 491.11 819.42 586.64 2513.48 13267.77 588.77 477.55 2003.33 4438.13 1185.26 1115.49 610.32 1295.06 749.16 933.34 777.95 73815.63 1296.49 376.1 1633.15 4513.29 432.54 426.08 1627.09 354.25 628.12 1300.41 3170.16 564.18 1547.95 1052.93 4063.01 679.98 2468.84 480.92 6960.72 686.25 1712.47 3763.02 915.85 2152.84 1837.22 1256.51 500.94 2261.73 715.42 2388.2 2029.5 2579.4 1304.88 854.44 817.96 1924.48 609.76 1890.28 3758.3 6273.43 1807.79 2254.08 447.03 1533.97 1137.89 361.5 2940.8 2154.65 483.91 862.55 1912.7 366.25 2968.41 2311.87 2351.67 2051.85 2243.76 2027.74 2278.39 2055.63 2139.88 2136.11 Glycylglycine 1330.24 9062.13 4591.35 9591.69 8459.1 2706.79 4672.91 3512.54 3702.5 4928.79 8732.64 3680.62 18830.04 7368.3 8991.47 12525.51 4909.25 3269.38 11203.09 2408.23 5073.83 6498.03 9454.75 8186.52 7448.57 3429.85 5697.62 7130.25 14277.81 1003.02 628.54 1098.54 7810.1 16572.83 11005.92 4129.49 7798.19 4281.31 8987.31 8739.02 3598.35 4911.94 14467.7 11419.63 4644.71 5341.61 6815.48 9580.81 5268.41 16225.48 2748.29 9905.89 12175 14324.41 6515.35 11990.36 7236.37 6361.37 4319.91 5935.44 8498.07 8575.2 7751.81 12930.39 9272.15 10662.12 8810.54 11090.62 7208.88 8393.07 4664.57 5331.53 8862.71 12236.03 11617.99 6827.33 8355.07 8654.83 8632.77 8360.75 8412.97 8166.04 9000.44 8640.97 Melphalan 79537.54 4694.52 2413.84 4183.05 44864.15 51568.36 2006.83 85078.61 100020.23 49363.98 86721.18 62441.56 54275.13 48747.77 82375.38 43149.22 37545.27 79636.37 94515.74 76287.98 43476.98 4206.59 6404.25 46558.03 73369.38 65718.49 47208.23 62831.23 70636.43 49199.15 93946.65 59060.09 51835.53 39627.96 40432.85 87607.74 70094.21 10908.42 50278.58 34699.93 129270.35 112906.81 13635.08 37205.91 99331.71 74128.79 111183.44 67456.79 39588.89 67136.8 61545.73 105631.11 74364.66 58144.9 86358.46 49323.03 11435.92 14502.82 64002.41 7994.31 31214.75 3808.73 51822.17 10392.43 7505.43 86243.98 57077.26 46802.47 45332.42 62742.49 65140.68 1722.47 43182.07 4240.72 37503.73 72669.05 78129.75 73331.86 75528.99 75022.13 73196.1 76542.22 77173.09 77196.1 Protionamide 62968.98 23958.8 2708.81 2273.57 51302.53 21021.13 1702.5 77866.31 76037.39 37943.87 10623.96 24052.39 8136.59 11183.35 46097.52 21823.63 9191.51 46619.63 29270.73 85705.15 66748.04 11713.64 8864.54 7559.38 74591.67 34387.28 15966.69 27909.77 77546.55 25351.16 86462.64 36419.21 35645.18 8681.76 5298 56672.73 50494.41 15426.38 10347.06 11634.85 65930.62 87713.02 6686.46 7277.68 50384.83 1176.31 77986.18 22347.22 36742.83 43248.02 43473.85 18077.51 11766.7 6144.59 28968.53 19391.57 5641.79 5164.47 48171.37 6356.98 4240.02 5001.32 16435.31 12969.63 14262.3 39893.86 34202.56 18759.65 21819.35 52963.86 66890.82 23595.65 20238.84 9806.48 7824.18 30543.66 30312.91 30314.54 30311.86 30088.99 30088.2 30288.99 30087.93 29973.53 Ethylparaben 89871.54 46303.28 21815.05 2537.86 85058.65 69156.75 8136 7159.19 57613.6 66946.68 71855.78 84090.87 16193.25 12280.01 103475.68 88145.3 47450.57 101382.12 85484.58 139082.96 111050.57 46424.3 11146.63 57750.49 156269.18 63057.13 49440.53 80484.12 128263.04 82266.46 98444.12 71276.88 79197.93 53067.97 57652.61 122945.56 97735.86 52562.92 54330.29 37056.79 114711.96 173247.19 56036.82 48590.26 111964.05 25242.64 33961.06 70927.58 62515.13 113837.58 113795.95 65627.64 42457.87 55408.11 88883.34 65400.24 20527.8 20786.56 95041.49 38784.39 26871.41 3201.11 45086.88 28619.34 36030.38 128512.38 103179.02 50493.61 62231.05 89630.75 71180.94 46359.48 27297.42 39662.7 25752.75 72393.44 72152.08 72485.85 71254.93 72462.49 70789.06 70821.3 63216.25 73850.77 1-Methyladenosine 32843.48 3618.09 2640.29 2487.27 12044.52 10361.38 8030.3 47911.68 4000.74 1784.72 2612.06 4766.41 4798.71 7522.56 7512.22 9760.78 7974.33 38289.93 5561.37 5204.71 26980.21 4244.08 850.51 3584.38 55611.13 975.03 6766.86 23741.12 44756.52 35222.8 92310.87 20974.34 1788.33 1783.2 471.33 64539.33 8714.81 4971.42 2489.42 6433.89 57496.37 147320.37 2285.6 2267.26 39972.59 1177.65 39674.3 3879.52 17941.49 29472.25 18108.01 3776.48 829.24 2094.28 24949.87 2723.94 1599.62 1043.57 6375.36 629.04 932.69 2128.7 1609.9 3356.11 711.46 26161.07 2231.69 14185.91 18930.67 23532.24 3686.69 10414.93 18161.43 4141.44 4578.83 4005.15 4506.96 3947.76 4381.5 3776.44 3702.07 3996.53 3743.19 4114.81 4291.77 5577.26 4196.52 3850.39 3731.33 3851.45 5971.62 3903.46 4196.73 3668.21 4273.03 4246.47 3932.5 3409.99 4304.87 4022.24 13129.49 12213.1 11945.57 11238.64 4956.27 13055.24 12515.39 12478.28 11257.51 Gemcitabine 47234.32 56851.12 34557.2 29659.09 58186.74 120318.02 39426.73 54093.78 61366.7 69878.96 57144.57 42021.69 56217.41 40205.49 70614.89 61998.2 45822.98 57697.4 69495.09 43865.21 53203.26 151665.63 62206.23 52730.95 83570.65 76524.37 51933.48 42083.88 59604.95 6407.7 68952.06 52423.51 60061.71 64710.41 45902.05 76344.39 63926.04 83992.66 60127.69 32296.2 74056.77 78052.27 51011.65 62835.27 78261.74 45562.96 48108.72 31928.8 27573.07 52519.93 50451.75 76365 52350.2 58208.49 52250.99 85703.36 39224.99 36114.47 66163.26 56448.07 41161.5 69858.66 56007.39 47272.75 34038.51 95088.21 72614.16 52993.63 57626.56 67730.9 65110.73 61140.92 43990.81 33459.74 42605.59 4181.88 4202.74 4051.6 4343.8 4646.57 4016.96 4361.96 4643.98 4408.33 5580.11 5257.72 3567.45 5282.86 4788.71 3580.46 5189.88 4118.69 5401.43 4977.05 5159.31 5168.28 4486.42 8796.44 4837.43 9464.31 67265.84 68791.46 70094.58 68716.03 69857.02 67482.62 67514.54 67579.54 67564.27 Arvanil 447841.13 428440.09 530691.13 232740.81 362044.44 389287.68 400092.17 366675.2 445000.57 568419.96 520990.45 345242.94 283451.76 418980.41 73167.52 461368.34 524660.74 323174.16 319483.68 293542.32 430470.43 423808.19 457192.46 366188.12 361529.83 501769.31 420989.63 440665.34 342325.25 612595.81 401264.45 363740.27 598705.57 411360.08 543560.29 396858.52 465100.15 732735.32 589840.43 545128.52 452097.42 399240.43 469266.72 590349.62 348983.22 375976.49 359161.33 448471.07 376018.41 329357.14 455992.31 471082.77 442369.29 376541.96 437045.55 207334.63 587831.1 493978.11 431723.86 615259.57 335169.16 514291.07 433158.22 486053.07 477416.57 396971.94 347677.87 419053.69 492948.72 450622.9 526314.37 430294.36 478723.26 507869.61 488451.72 148047.95 87739.49 208639.94 151589.67 103863.32 80159.84 36923.41 108014.1 107420.92 9469.99 6545.65 31469.65 37635.33 88086.82 22736.5 53306.56 34933.91 263621.14 86760.84 25275.81 96345.44 18752.04 59162.54 103264.15 226214.69 462686.67 465012.88 462656.8 465471.94 461167.86 462711.46 465939.68 465417.34 465461.34 Furfural diacetal 10257.71 28103.39 906.94 2168.99 10172.7 40499.99 3555.55 5918.47 8639.29 7462.4 8377.67 11781.2 7595.32 5374.93 34852.11 12900.44 10321.04 7024.04 6752.61 5291.49 7843.34 19173.57 2546.29 5010.19 7535.38 13331.96 8160.91 8126.25 7024.11 7978.96 5693.07 7217 14872.27 8176.86 4098.5 10230.83 4791.16 16128.73 1454.55 6271.46 5374.46 5860.4 13323.19 2397.88 6331.69 1970.13 4697.6 14333.64 5428.81 7867.37 8050.11 13515.55 1333.66 4797.17 5068.89 12012.21 955.62 2514.58 4698.58 26981.68 3253.04 3325.25 3936.46 2421.71 4690.31 4069.53 2686.15 2622.46 12450.8 6798.54 12298.66 22659.93 6099.74 9631.65 5682.05 3381.77 3781.26 3764.27 3601.11 3086.47 3731.2 3458.93 3730.81 3766.71 1-Methyluric acid 1929.73 508.8 5774.63 4211.4 445.26 3285.06 6720.17 501.74 1947.76 3007.37 6618.52 7546.97 8773.81 4487.08 985.1 5229 6828.82 1081.37 10742.06 511.17 3123.7 1850.07 2899.55 4875.79 2302.98 3373.66 7725.79 1206.07 1331.63 1086.34 845.94 10462.45 1164.43 8106.11 4332.64 858.14 627.79 1123.08 6028.82 4692.02 1273.58 2753.67 6180.47 4667.79 963.59 7319.2 901.02 5783.53 3293.95 10435.56 1015.23 2568.46 9550.13 9654.82 1270.25 1799.91 5177.98 6941.81 954.35 1912.84 7063.78 5754.57 3253.02 5394.06 8189 1513.16 1245.39 8401.24 2986.57 2625.58 3265.25 7699.42 8881.73 8366.61 8720.4 41844.72 40445.78 47405.91 45131.7 47841.51 44179.31 40005.77 45862.92 71967.81 56895.61 65478.92 28326.65 46114.56 44751.35 60355.97 26547.89 48421.69 49433.52 48036.32 119063.87 39372.89 47604.82 43910.5 39137.74 38966.29 5036.44 4376.18 5079.41 4871.56 5405.44 4831.68 4996.44 4915.57 4769.65 Dopamine 53480.33 60768.92 18392.23 14463.07 46207.44 45965.62 12111.01 61735.14 63922.62 48644.83 31486.32 43194.39 49636.67 34399.23 58834.75 37470.39 25091.41 50505.71 35743.52 58419.56 68163.16 62163.23 22758.41 28894.41 54166.33 53807.03 32219.81 26449.41 70182.62 21029.19 50099.65 28932.3 46379.79 26853.94 19036.42 54835.12 45820.3 45584.14 21834.36 39210.45 49400.43 102180.58 25430.12 19895.94 56985.08 13957.85 46587.49 31423.63 36340.77 52383.78 95091.09 53723.87 22109.85 29093.11 36019.87 48386.42 15641.17 15766.85 58341.73 62823.16 20282.24 18823.29 39604.31 22704.86 22475.51 52492.79 44059.28 33921.29 27606.95 43195.86 55403.31 36934.51 16529.32 27126.97 26273.08 46360.49 48059.39 48045.41 47047.96 46126.08 46006.13 48009.24 47329.49 46085.56 Nabumetone 7738.67 876.38 3815.56 951.72 11532.26 3331.78 1864.44 11892.19 3102.39 5972.2 316.67 5762.32 547.24 1547.68 641.81 1504.19 617.1 7454.06 2679.39 3576.5 9962.91 2675.81 2836.56 1713.61 12947.27 2407.07 1445.35 4719.13 13930.96 8807.02 22176.85 5913.25 362.02 1894.82 1336.21 32260.09 5889.23 1423.84 425.67 2666.68 14738.44 10369.7 1356.22 1767.27 7664 1406.83 7292.26 2240.64 6689.44 5284.56 5430.49 799.2 2606.42 2922.91 5302.77 2977.08 2525.7 4200.17 4237.04 1776.15 1327.72 1890.02 984.98 1888.17 3743.3 4389.95 871.21 4379.78 3759.57 7424.97 883.35 1900.23 3870.68 2040.54 2193.06 3881.09 6447.11 4823.76 6683.05 7524.44 4869.81 6505.99 8106.44 6283.32 Indoxyl sulfate 46880.8 46410.8 12291.37 10750.57 55371.34 59287.77 11991.92 32626.94 52279.33 32756.02 15946.49 19137.09 20663.79 17386.32 45875.96 20472.86 15736.51 31748.05 22070.89 41774.71 37538.82 56180.45 16405.01 17381.41 29800.03 37491.07 15888.01 21859.91 35600.84 10098.83 46185.89 21418.55 27508.72 18429.69 11374.71 31995.24 26188.76 37776.91 11412.19 11252.17 34432.37 53088.95 15144.85 13210.51 42800.42 17974.49 38908.64 22749.07 23419.05 34962.06 40569.71 40215.39 13238.23 17023.52 19678.65 46478.23 12710.39 10992.15 21934.81 22121.45 4670.98 5501.62 29750.67 6222.21 39147.24 45535.21 64513.48 17754.07 22061.24 36329.07 41323.44 21964.54 9341.65 11485.22 19821.68 15115.86 8329.59 10244.88 12919.38 6503.5 7166.21 4419.17 13969.15 15290.49 7150.32 8853.59 8154.42 14857.25 14996.92 5760.04 12947.52 11965.38 16179.86 12880.36 9313.49 9277.74 6227.58 6065.58 7946.36 12007.98 39702.84 41739.82 42864.92 42608.94 39547.31 43303.5 43639.29 39575.24 39532.76 Zonisamide 41719.11 1445.47 27391.03 202578.73 113168.47 518879.26 137432.89 4155.66 886.39 34168.13 36545.1 1343.95 111745.98 48859.37 1162.12 84976.15 90999.69 706.46 49380.95 496.15 1715.36 25184.23 33610.77 36995.34 620.56 2474.92 2968.44 40173.99 72992.76 35134.84 601.26 53154.07 664.11 85949.72 33959.18 2492.55 787.23 22608.54 473.03 62393.46 3352.43 3266.87 31529.31 34063.45 1166.03 221856.4 49397.24 59075.71 33565.26 3921.93 35433.11 27185.35 573.69 63040.6 29485.6 746.29 29292.06 25792.55 20165.04 247085.1 21587.52 80164.38 527.33 50264.75 36613.14 33515.74 32993.34 39100.93 40486.96 32994.82 906.46 759.06 39579.1 940.04 33201.42 37160.67 38595.06 37641.95 37029.35 37013.71 38586.97 37145.31 38675.93 38704.02 Agomelatine 105127.14 29114.45 563.35 2481.18 34065.1 5782.32 2021.3 49509.76 42941.84 16159.09 10183.62 38027.49 8780.48 16903.56 23061.56 16720.32 7718.91 28158.72 16227.06 61672.04 60561.61 1644.52 5822.39 9551.32 65425.38 22617.84 8850.76 33669.13 43745.21 28380.22 53454.16 24000.55 20193.05 6278.15 3897.25 44492.71 32634.95 8058.55 8753.24 10556.25 52216.75 57659.28 6256.23 6204.08 40698.31 13475.85 56462.1 16377.66 28469.46 36802.11 30239.13 10077.29 8992.64 10347.39 24290.58 10971.05 3173.64 1480.55 45223.69 479.04 6571.39 3685.12 12128.38 10034.42 13588.73 27004.66 23945.71 23192.22 35325.14 56555.53 62859.46 13435.47 21644.94 8506.3 15802.27 30323.42 28440.87 29690.94 31709.14 30686.69 31633.83 31378.87 24779.19 31323.59 Isoeugenol 7341.11 2491.27 1904.64 1269.47 2803.9 1396.23 2745.44 6153.61 2146.46 3840.59 2494.01 5247.69 6992.86 9720.7 2854.82 2287.66 1434.85 7984.12 8493.21 1526.45 2126.49 2811.88 4152.58 2763.38 7809.83 5157.37 3914.22 3192.33 6164.96 635.42 3693.5 6635.01 1096.02 797.05 2120.04 4950.72 1827.84 2030.64 1961.3 1620.72 4367.61 11220.27 2375.95 894.44 3527.3 697.03 3132.09 3683.93 4998.71 6398.82 3326.44 4510.48 3459.72 1218.22 3834.32 4906.58 1390.06 1214.78 3809.07 1209.26 1460.47 1857.17 2122.46 1565.41 1536.51 6484.08 1026.72 2711.5 1759.32 1960.02 3032.93 3003.1 884.76 2554.43 2382.3 2567.27 2548.9 2627.82 2569.3 2737.37 2488.21 2571.4 2175.19 2255.43 Sotalol hydrochloride 185001.53 48193.05 11884.85 35141.44 154738.76 4070.72 77397.96 193002.24 249268.5 131433.49 149224.98 228891.38 199051.71 162116.86 184385.47 148485.09 101302.33 265567 144433.69 373455.8 167270.5 88889.71 80148.89 112016.15 211188.1 220732.23 133379.07 142997.61 364113.04 186533.23 360033.16 53067.03 158468.89 125304.21 137207.37 303741.27 170078.2 8533.84 124978.9 94887.65 362278.06 273517.76 123624.42 115253.08 301187.81 114378.47 316679.24 168220.39 154591.05 249843.19 178498.8 156999.13 116875.04 190927.37 164185.13 52301.81 43836.05 11249.42 135305.82 2863.06 85668.29 14381.85 128670.67 33450.37 81777.17 210258.35 221873.54 136976.04 149094 166499.75 24556.8 16293.95 37355.98 25490.98 131314.68 167421.25 165670.3 166353.56 147417.13 167824.68 164695.13 165017.99 167778.14 174585.94 Entacapone 86914.9 193639.41 109055.43 25668.95 116150.98 171438.02 5094.81 124157.07 120722.22 113481.44 54887.43 15841.26 60074.72 44374.01 202417.35 55220.47 50181.5 101457.66 76304.17 104109.29 137512.94 109535.93 69673.79 73034.08 169850.37 129289.45 48466.76 53251.02 117300.88 45784.65 85541.94 35708.7 239232.05 71784.29 80015.33 105007.48 245721.59 278925.71 47590.11 59882.81 126925.79 118818.11 88935.74 81219.16 122940.42 49203.61 92156.8 60613.59 34867.26 83735.24 83171.57 215799.48 127440.83 90961.9 197979.54 274945.2 59902.85 114459.25 197341.92 364977.09 50862.98 59370.8 232566.28 106999.13 65802.22 225273.29 253079.84 67944.01 58010.97 207626.06 177034.06 69895.95 82285.73 73359.21 65010.83 145912.39 133354.46 142729.73 142246.14 145042 142155.66 142314.83 145928.67 153538.97 2-Hydroxyethanesulfonic acid 8114.08 5094.65 12999.79 15655.68 6184.49 22905.2 26904.21 2671.18 4181.02 1616.76 9086.63 24116.53 136095.89 23624.44 3354.35 22144.27 11328.69 10253.25 18669.13 2749.1 8272.68 436.53 39572.37 60360.43 3878.32 1845.01 13908.85 2483.79 4971.83 12324.16 7829.53 1946.05 2384.39 1151.52 1913.45 3057.98 3706.79 9072.98 17571.21 991.98 10489.88 11623 5327.31 9250.39 4002.37 13345.65 6264.91 41237.22 14815.58 2274.47 968.87 2815.52 2456.98 724.25 3029 3108.56 46973.84 6629.01 565.92 3889.21 13106.14 14347.61 16390.17 11709.56 5046.1 7917.57 7690.86 25927.38 12786.92 5965.55 530.15 10589.06 3713.08 7157.84 31339.39 12173.33 11285.06 11359.8 11852.51 12206.3 11878.77 12232.06 11860.35 12174.53 Erythritol 47545.69 56880.3 55478.77 58559.3 49139.74 50209.12 53027.3 53562.73 51834.33 44083.08 57883.58 39278.75 18480.75 51026.48 60537.84 54542.1 63289.57 60087.98 47469.03 67026.43 53300.4 40175.28 40608.57 54585.48 48193.76 53782.71 53609.8 44883.29 59791.49 41287.61 59950.14 48730.95 63462.8 40084.18 61072.4 45313.07 59472.49 56659.12 50976.19 61796.93 53755.84 42252.45 58867.34 55133.22 54204.36 47497.79 61747.17 59975.78 37765.05 55914.78 45701.73 53178.86 53336.75 57861.72 57888.05 56712.22 42899.57 61109.65 63515.32 59230.83 57798.43 48210.55 63267.41 61533.12 62831.31 47947.79 60741.21 43245.32 56497.62 58763.82 63433.09 55071.67 62448.25 60767.27 63012.32 5588.27 1862.03 3844.71 4590.62 3932.1 4287.13 5467.3 3656.36 4224.81 4961.1 4417.24 4638.12 4681.56 3894.56 3593.54 4278.73 3577.31 5144.11 4569.89 4185.43 3579.21 5009.08 4694.64 5153.25 7325.94 56041.7 55927.46 55945.09 56138.07 55944.89 56041.37 55872.95 56028.76 56263.41 Tasimelteon 8868.11 22060.97 23223.21 14228 21722.86 11190.35 12687.19 25220.87 66882.87 19008.89 74376.04 23220.2 30400.18 13278.13 40768.09 128967.03 16206.65 23546.66 17913.46 29345.17 12389.23 4322.32 1474.57 26791.13 21735.23 37119.58 40520.38 54355.1 65140.17 22946.01 2389.19 20540.98 36920.13 30036.22 47534.21 15296.99 41243.34 707.74 1153.14 43630.11 10919.75 3897.93 28904.66 5110.89 12720.92 30372.5 11237.52 17927.7 8226.94 12118.22 27438.36 8408.93 42220.1 81069.07 51781.8 23566.11 25863.22 21198.14 18224.84 34029.62 2209.09 2399.57 53744.59 109990.75 56797.78 24673.52 16941.85 14569.9 10924.42 45196.04 70890.47 39780.85 20119.12 77503.65 75956.88 25029.24 24351.64 22692.32 22893.45 26970.78 25525.53 31829.11 24503.62 26878.09 2,3-Dimethoxyphenol 9179.81 8042.8 26770.06 12195 9428.7 5115.76 7522.57 13886.15 7267.52 15912.8 19017.9 26487.23 29962.43 17217.45 17004.06 25120.66 17861.9 6522.95 18906.28 9870.31 10599.77 5473.93 19338.28 16365.99 7757.77 4939.02 11627.75 10480.79 16394.21 14567.57 11453.32 18930.57 6245.87 24238.54 10512.48 6697.82 7368.83 5213.43 8424.84 4442.46 9395.28 17814.11 7608.6 6775.67 8765.52 15389.92 6775.22 13012.17 16095.6 31785.7 13630.02 5738.75 12919.08 18694.28 6579.41 7216.94 11921.32 4136.4 6904.12 4222.52 10094.99 14060.68 6808.06 16204.99 19458.76 7156.23 3191.08 18031.18 22410.42 9163.3 5699.19 12586.31 11612.41 10602.54 10802.73 10405.98 7933.25 10584.98 11163.28 10039.04 11942.41 11351.17 11198.46 11170.88 Jasmonic acid 14611.17 5437.72 16983.07 16942.09 8458.37 8910.31 8577.87 16833.24 7986.02 19725.84 20842.31 13680.88 12849.16 22037.43 18752.77 11840.02 27495.16 17589.04 19528.14 22489.33 21366.57 14281.07 17040.88 20285.92 15926.33 16904.51 18042.44 16769.96 16847.43 15591.91 20683.31 25066.88 19880.88 11228.69 16112.4 15196.69 19462.48 13481.68 13498.33 14798.83 15856.3 9086.25 17453.4 14205.38 17613.52 14975.22 13167.27 17332.08 13814.08 14522.28 14120.68 17522.79 16728.08 4711.8 14014.76 14198.75 18030.3 17383.02 16068.07 11705.57 13816.06 29337.82 16343.15 17265.56 14593.78 14141.51 16196.25 17882.21 18505.86 14491.56 16793.38 14965.67 12421.54 16677.27 12031.74 16167.86 16175.11 16995.02 16153.79 15688.27 14243.52 15672.25 16173.57 15765.78 Rhein 42718.47 44992.06 54884.15 44987.5 22457.49 28391.73 28558.87 121880.48 27957.86 72668.44 143068.39 47978.68 49106.09 38269.6 21883.06 37778.39 52696.28 36983.58 44132.74 26312.52 17494.92 37485.13 48278.34 55628.07 28697.34 29119.24 65624.33 76152.2 27695.27 74662.78 5332.02 48010.07 18338.25 73588.87 67774.43 2610.63 18588.88 6205.13 63835.47 84534.15 24318.07 75294.84 66280.89 13741.14 23514.79 12126.34 14218.36 39526.16 68309.88 53134.83 16529.81 21130.62 34516.19 28948.05 14109.5 23222.37 52987.75 23804.67 19167.57 14168.36 19730.18 48040.63 17649.85 33230.01 51556.37 24829.39 26255.65 52353.79 47416.2 4376.19 28058.06 36294.22 63903.72 34449.81 32468.68 100502.28 83832.22 58630.18 86245.5 42927.67 92978.08 85769.54 56340.98 110039.54 44015.87 76094.9 64144.4 40401.69 42468.01 42480.11 54892.55 50217.45 113122.66 101838.59 75295.03 126056.54 51281.69 54945.48 77596.65 41846.62 38486.22 41254.16 46082.65 41778.75 39973.32 41407.68 40228.68 39772.96 cyclic ADP-ribose 572.25 4366.63 5571.32 7708.85 611.76 12241.03 2997.45 349.29 390.63 346.91 500.59 627.35 2880.93 3232.1 551.85 3651.86 6332.18 495.29 704.56 1781.74 797.73 1115.32 532.34 3326.7 539.3 731.86 1182.91 323.88 956.12 538.42 306.91 1314.17 575 1058.51 1486.85 1118.64 350.34 1319.77 332.1 1166.91 458.06 365.52 738.87 4672.28 390.07 907.88 940.27 1667.12 1352.88 1025.46 1685.5 1631.86 1429.18 287.99 2097.9 3746.78 16227.44 2047.14 508.03 1993.36 6085.25 552.86 2729.81 2678.01 1143.11 1747.69 762.64 4276.83 4857.96 488.41 803.32 855.65 353.55 1805.49 2211.57 24078.29 22543.31 14089.8 13284.4 7955.67 16058.36 20573.29 13014.92 44239.71 47276.54 43783.25 46940.64 28590.15 10517.45 34891.45 21725.24 21401.28 27094.59 11904.42 28965.39 25887.09 27696.14 25445.73 36569.63 28212.71 2353.27 2352.55 2343.65 2272.29 2348.37 2318.31 2319.66 2360 2339.04 Ractopamine hydrochloride 15863.13 12714.03 6305.77 6216.68 15365.12 13428.47 9529.17 36894.23 21577.38 18467.27 15649.32 14584.09 21268.14 13392.16 15321.36 15649.53 9761.06 15447.14 15177.04 16403.94 19308.2 3808.72 12504.17 13220.43 24635.1 22062.9 26813.94 14145.26 27514.8 5878.4 10447.07 17922.11 7146.71 15050.37 12552.26 17747.65 14807.02 37591.77 12977.5 7995.21 15999.49 20907.7 13870.21 8229.89 22771.07 7197.34 15244.63 7246.85 11107.22 18952.86 17262.21 14199.37 15170.53 14953.29 16457.16 19831.51 1216.14 6437.68 14414.06 11837.37 8661.89 11171.35 11630.87 11025.64 7882.56 25204.59 13192.72 17561.19 13509.79 31507.77 13033.87 17931.53 9397.19 11572.59 11930.91 21365.22 20237.98 25311.19 20162.42 19445.97 20171.68 20107.47 21064.44 21608.79 Nalidixic acid 3024.09 5913.69 7521.98 6180.19 1966.19 673.26 3039.67 559.31 1793.89 7824.67 6399.41 548.95 6460.59 4582.73 6395.79 3158.42 6848.23 1397.73 2158.53 3522.7 3391.51 1048.64 10457.23 7379.85 2021.37 1747.42 8203.04 7085.01 2822.69 5292.63 2439.6 3745.19 5648.39 6113.38 8437.92 7679.97 5201.47 3422.46 3839.11 7747.53 6667.78 2962.14 6660.71 5651.93 2107.27 6888.17 3806.11 6782.11 3657.27 1607.81 3900.77 5702.46 8548.86 3645.05 3396.25 1583.45 5520.19 7519.62 3918.45 4962.03 5678.88 5231.62 5519.95 6527.22 7785.76 3517.42 5781.91 4182.84 4372.65 5485.37 6452.98 3083.5 8357.94 3973.05 3123.46 1045.87 2184.44 2859.22 2490.46 709.9 888.67 1220.38 1651.42 914.99 1922.68 2906.6 1860.07 3266.7 1449.3 1538.8 2010.39 2010.31 3087.31 2285.13 1377.67 5207.83 4991.8 4194.93 4534.73 4996.31 4721.18 1376.47 4976.56 5136.24 p-Aminobenzoic acid 8234.66 3905.54 25263.68 58715.2 5721.64 32263.89 92328.67 38047.22 28207.1 43797.03 51314.11 57371.98 106757.04 56368.98 32973.77 85092.18 69723.87 8591.23 31479 31786.65 15935.52 34235.85 52076.15 80539.23 7523.77 4168.29 35630.07 6189.96 37854.44 28739.69 6442.84 12944.85 13297.82 41000.25 52589.34 14988.43 3786.29 1686.67 9643.22 4218.02 5852.76 16655.17 13723.16 23831.85 7394.84 43076.84 5134.06 36127.83 24823.07 38501.71 21712.62 26013.2 36622.29 47421.97 5346.39 10449.6 10264.68 8709.98 18594.89 7629.11 29623.23 47785.11 21683.07 63033.45 67985.8 13530.39 3529.42 43600.92 36883.08 14292.46 3865.25 20324.1 8145.76 12116.7 18759.8 3610.27 2534.0 2585.37 1520.43 1787.77 2786.48 2929.97 981.63 5812.9 1422.39 3174.29 2806.29 2719.8 1027.85 1040.02 2342.37 2714.44 1310.66 3959.01 11933.02 3456.88 3122.03 9599.78 12240.51 27824.02 27179.43 26613.76 26999.52 25155.94 27004.94 27276.57 26551.09 27261.02 Isopentenyladenine 4601.86 1993.75 2310.59 1773 14363.05 2004.98 3056.28 5160.67 4597.16 4330.83 4312.01 9076.32 20582.03 4659.29 3964.99 9253.21 1677.94 7483.29 3157.72 4137.12 3725.56 4090.44 12108.96 9232.05 5701.3 4138.73 6357.89 3310.36 4625.07 3689.46 3433.27 18003.96 1984.08 3975.28 2475.91 4406.74 2235.83 2759.15 3845.05 1391.73 1678.97 5497.1 2580.23 2300.17 3806.36 6330.86 2642.23 2548.24 19485.44 6942.22 10808.1 1871.39 3786.58 3698.72 3281.14 3264.26 1041.24 1390.14 14109.51 4123.63 2100.02 8588.3 4609.42 1893.33 1072.13 6100.12 2105.59 3603.7 2088.82 3748.22 3337.4 3318.58 1583.72 1626.22 3219.37 5298.38 5384.79 5124.13 5454.47 5274.5 5612.22 5439.68 5441.88 5313.4 Niflumic acid 50639.62 4321.52 2382.4 3065.28 33717.81 1718.4 535.79 20634.63 60128.12 3916.25 2775.31 11345.6 613.14 4731.86 9721.82 14864.34 7386.84 41546.89 9972.91 14191.55 27721.01 1640.22 7660.78 12523.65 67296.66 34851.25 2807.05 33383.8 94989.22 41004.69 128564.47 18699.35 10774.39 6864.13 1308.1 89402.48 10355.12 1666.17 2675.22 6508.83 97124 58710.76 2265.4 6125.12 62507.47 2733.65 110817.91 11968.43 47611.79 111646.09 24647.13 4838.85 1942.17 5237.13 14928.33 3298.47 2396.78 434.55 10856.15 1186.3 1350.71 362.52 4448.73 1408.09 11712.97 48983.4 10749.76 18887.15 30742.68 50927.96 18914.89 8014.37 21286.76 3390.48 1976.49 16691.69 17852.29 16819.8 17824.29 17074.59 16594.01 16746.37 6240.28 16316.86 L-Fucose 8620.61 7466.79 20486.45 12509.42 5484.44 25610.86 10768.37 11171.79 19248.31 7757.41 9330.63 11792.82 34242.82 6332.27 7540.11 9109.25 3140.3 8320.62 10492.29 11318.5 3738.72 45209.85 10745.22 7320.89 11231.12 10891.97 12347.6 10654.46 8460.93 10903.93 4926.64 4225.04 6165.16 18448.35 4371.16 5129.54 5565.29 31180.7 7734.95 1848.95 10866.63 11893.42 9267.47 6972.79 6555.13 29878.75 6403.88 5593.94 7461.15 3334.15 8248.39 12379.1 7684.17 7119.37 3943.46 6671.46 9861.79 19691.92 6203.79 32178.32 4860.69 11559.84 8432.97 5000.14 5430.02 10170.3 22159.49 7419.38 7747.98 2221.48 12389.36 7272.8 8635.91 9325.74 19647.39 13578.86 14068.37 13611.65 14048.57 13532.75 14568.83 14041.69 14049.19 13525.35 Butyrate 16894.33 24394.55 17061.76 19245.09 41239.67 50462.29 17889.19 32072.38 41001.19 20463.96 11381.33 18598.66 11314.03 10246.59 33974.7 23696.09 18231.41 21224.16 30183.29 28173.84 35475.54 39998.58 13938.88 16060.41 36362.55 37669.03 13065.47 15068.32 38026.19 9393.27 10906.98 20606.21 33669.9 27029.58 18580.07 25293.53 27875.55 34464.77 15661.02 17488.9 13985.68 24280.63 18930.68 15824.12 14899.24 19500.46 29117.83 30388.42 22043.85 29419.67 11042.93 24194.72 17370.9 17571.65 16906.11 28698.39 13538.33 12493.42 26153.12 43056.44 21446.09 14521.54 19619.92 20286.78 22696.47 22541.51 24861.1 15214.17 19747.37 31295.49 35535.11 19328.29 10715.89 26571.32 16238.69 23504.26 23505.24 23665.76 23582.42 23670.8 23913.1 23493.12 23508.11 23544.6 Bergenin 53923.65 65631.17 32475.39 10155.28 119066.69 4724.61 10431.83 41802.86 69328.85 30529.07 3311.63 23842 21107.43 48386.17 357794.9 11397.7 7999.82 223839.27 52266.98 936894.68 55679.22 3505.83 12291.93 3558.83 45437.98 54371 3569.11 3711.4 9169.02 3542.35 169136.28 190836.5 53301.42 20150.76 7448.59 30103.32 53057.61 74154.67 12110.76 3302.89 111297.83 76539.2 16459.66 31680.58 147116.3 3164.74 51280.69 21268.31 19258.65 154466.31 27109.49 75490.83 16378.89 34862.55 33397.31 69843.9 33938.35 2080.22 50252.79 2556.72 29595.21 32141.99 31168.09 13245.07 45396.63 56423.4 114195.41 6761.99 14802.11 45024.25 48638.15 3401.48 37919.42 20643.87 7748.41 40030.32 39197.86 40259.04 39860.31 40714.29 39178.02 39300.53 40109.14 39249.13 Rubitecan 86075.01 18033.72 3053.69 7292.3 19651.01 24462.79 2639.78 94010.06 112623.47 61039.34 27426.28 38036.03 6336.81 28514.24 58689.21 49555.14 20010.82 77829.72 41029.11 109017.18 123466.42 3591.85 29367.74 2316.26 114418.67 61162.73 23478.65 71677.46 37773.11 56297.5 49016.71 36073.06 75704.07 6443.47 7118.28 84917.95 66590.43 2869.75 33154.08 29468.1 47921.32 63929.05 11132.52 14107.53 84172.55 2782.85 92702.98 26818.57 78593.16 58262.52 59483.9 31267.81 9693.36 5758.72 20765.98 23961.05 4971.05 1330.84 75725.31 4339.25 9414.26 5893.93 15189.32 2800.56 26218.56 51195.67 52774.93 29260.46 40145.25 90710.77 91067.04 8682.37 41151.01 8730.14 6660.3 41407.38 40746.63 42301.33 39522.06 38998.07 42863.33 39511.71 41762.31 33080.7 3-Methylcrotonyl Glycine 15870.77 45129.56 61610.96 113025.8 112931.1 58125.35 75451.8 7632.7 1628.37 28513.22 37489.58 80969.53 167930.85 120752.82 55723.41 47087.24 29394.89 88356.95 49261.49 4546.16 10252.96 15183.89 89746.46 76064.69 40099.6 5078.6 24392.02 37693.89 50896.46 5412.62 10363.33 1442.99 9306.75 50443.04 40939.54 35776.21 35585.81 12361.11 42861.72 30408.74 27930.73 10177.47 29599.59 29151.44 14213.19 47416.13 15361.49 29727.97 23360.37 43336.69 1480.92 45315.82 38825.28 75557.58 59469.43 47134.48 120970.75 48433.18 19252.64 24911.25 41910.01 37559.01 37169.63 51345.58 34469.1 71041.1 11931.43 35539.61 29003.82 28560.61 7021.22 44937.64 43684.11 64604.89 63383.03 47764.93 47754.26 47345 47498.16 47861.4 47364.25 47364.61 47764.74 46432.09 Sphinganine 1-phosphate 15024.44 6195.83 3253.56 3185.42 36281.99 2000.14 4194.85 81624.53 3802.42 1554.16 3779.63 20170.99 149840.98 16758.65 4789.83 22746.75 2255.05 28675.78 59841.07 9457.83 21058.73 1095.27 19778.49 4689.18 11282.76 1765.63 4698.38 2214.39 22680.62 6171.58 4768.34 11366.08 5913.58 11059.73 5117.74 37065.3 10260.65 410.49 14063.25 475.29 5645.66 19793.25 9790.6 1338.19 11250.47 2531.83 7011.42 19548.73 21031.02 27876.7 42420.48 21448.63 75260.23 5676.4 38977.28 2005.96 39852.47 12658.32 28453.59 15879.76 19062.23 64632.52 4702.15 19973.38 2869.95 14446.65 1831.61 5531.01 2216.4 38103.17 1459.18 3089.09 13735.6 401.73 13516.98 17151.98 15436.25 16278.66 16761.76 16967.17 16978.95 17431.21 13529.97 16730.74 DL-Glyceraldehyde 3-Phosphate 6253.83 7253.19 17126.65 4788.95 6204 4062.1 4476.84 13854.71 713.85 2368.84 687.15 638.43 1431.46 2184.17 13339.19 5333.59 3090.02 15995.32 1548.3 1575.73 3515.56 8584.51 1580.95 3260.78 2406.67 4465.49 5398.57 807.17 7087.84 613.65 954.81 1119.26 6912.66 1973.83 4700.6 1440.29 4103.48 2213.28 2449.63 1306.85 625.08 2179.56 2399.21 4553.01 1656.78 2170.98 4328.34 8473 2434.9 1129.75 585.02 465.17 1987.76 2052.69 409.31 14849.21 2974.65 2472.72 8642.92 3724.21 3814.04 5689.41 3309.07 8378.71 10923.46 4717.17 1042.73 1748.18 6680.21 6913.47 3530.64 1393.12 3516.32 8211.83 7473.32 4003.82 4812.07 4155.67 4225.81 3731.61 3971.46 4010.59 4219.44 4231.36 2'-Deoxyadenosine-5'-monophosphate 36239.08 46388.74 45898.11 47949.21 36978.2 5468.07 44494.06 35244.34 27490.08 39561.24 45633.71 46415.23 31494.63 36326.4 30424.94 34360.12 32805.95 30438.79 30683.55 1433.74 35843.31 37859.04 36267.29 45800.33 32005.91 24468.82 39733.76 40191.44 32187.41 34271.94 30264.03 20711.28 11010.52 27908.7 32757.04 22585.17 22437.28 30196.96 27396.22 30072.05 23598.99 14665.31 27150.37 31084.93 28421.07 29532.13 27658 22266.67 30919.06 11057.37 23490.18 6790.89 30524.86 13983.69 12849.85 13381.56 25608.19 39648 25417.05 15835.21 30551.27 23100.14 29507.23 23081.16 14101.12 25204.22 17108.68 40858.46 31152.82 11710.78 15629.71 26736.61 31912.41 23119.35 21608.53 24736.05 24499.17 25272.65 25644.83 24094.81 23687.85 24303.44 24283.19 24762.75 Thymidine-5'-phosphate 2086.1 6100.95 6101.72 9064.68 1469.84 8012.74 21428.59 8422.32 7476.65 1596.36 5080.55 6433.84 1513.84 3856.82 13596.77 5828.74 9923.34 2785.95 688.13 6806.46 463.47 2111.93 3154.77 1279.24 2895.43 5880.99 1737.44 445.11 4626.6 4965.79 3191.75 3813.36 3998.2 1890.39 6358.71 464.26 5838.8 4176.58 1106.25 5812.76 2873.1 6531.15 4163.25 1963.78 2214.17 12059.41 6117.37 504.21 4041.55 7126.81 4848.17 2260.45 3731.54 21641.43 9328.47 7193.8 23004.1 20992.85 5086.37 18810.88 5499.76 2116.12 11382.08 8576.26 2122.29 8108.21 2882.73 2513.19 5087.08 7087.87 5358.09 3652.98 2272.65 12561.65 5512.84 5643.33 4712.21 5665.81 6186.34 5330.01 5605.06 5543.49 4853.47 5644.16 Corydaline 4612.4 2657.74 13306.72 13184.31 10916.61 5017.88 19240.92 5749.72 4424.72 5366.77 18176.41 15845.06 17789.87 14729.18 2103.95 23203.36 12118.81 5566.57 19199.2 5924.41 3635.47 7242.45 14273.33 14956.69 4935.29 4386.69 16167.4 15810.61 5124.14 13052.48 2959.9 29320.44 1860.7 18375.52 15031.23 5121.39 3026.4 2002.8 12000.38 11960.03 9309.85 4428.99 15544.09 9455.01 5033.65 12343.44 5680.72 13996.44 12103.73 28256.93 3995.27 2230.4 14051.39 15842.54 2875.12 7438.54 4865.75 9988.88 3221.04 1590.49 9051.52 10543.71 3800.79 15926.1 13232.1 5104.81 4864.63 16223.17 15434.28 5397.16 4659.7 16968.62 14672.88 14576.77 15112.19 10250.68 10709.74 9068.63 11310.87 10747.82 10741.96 10704.21 10112.01 10499.12 Atipamezole 60927.99 51392.71 74857.25 150439.7 163641.89 95749.69 195368.14 141346.3 75074.23 92019.29 116080.89 208074.86 264562.54 130780.52 109549.82 185493.71 111484.87 103360.88 228915.41 78391.61 383259.1 6459.12 181635.46 154607.65 120881.57 130002.52 172700.99 187093.47 136325.01 174100.9 117103.25 252393.59 119135.54 186039.75 158134.91 135718.56 104023.75 74222.69 142188.08 155119.13 133375.99 191983.92 166141.02 79364.2 208881.24 170605.5 130316.96 181592.56 173845.31 276839.98 135027.05 97290.95 195022.08 202520.41 107638.15 100557.83 69890.32 67815.99 116373.77 17123.55 227599.56 103890.03 80169.11 155170.87 155315.94 145493.59 86976.76 144036.54 136050.3 118411.93 120177.42 165281.08 105351.14 171011.69 186445.98 135696.94 133941.97 111754.36 134538.36 135913.3 135926.12 132971.93 135974.16 135606.99 3-Methylxanthine 5171.93 9167.76 5308.85 3313.33 14590.82 6252.67 90706.32 6350.11 68842.54 2834.44 10477.77 908.39 2587.88 1216.26 3053.09 5913.31 6852.16 3150.58 1046.38 1113.61 17305.64 4069.81 1883.94 1671.74 2897.18 8851.76 16443.81 2156.64 4060.26 3706.65 1664.35 756.82 449.8 2140.73 2613.04 909.26 3537.39 3828.26 1368.77 7103.68 2095.74 1130.86 1137.7 1139.18 1488.57 38206 1625.37 336.5 2288.11 1327.12 5489.03 5228.29 2013.01 7152.85 1411.55 2036.96 7281.91 1683.7 5942.08 1303.28 487.19 3782.41 9534.65 9392.73 1705.73 3992.12 25580.02 2718.92 1767.69 6926.95 19269.75 4459.99 3912.76 7206.75 23621.55 6601.5 6132.3 6186.73 4772.68 5977.16 5431.34 6207.2 5466.48 6040.72 Thiabendazole 6283.95 5238.16 13842.61 16663.1 7902.11 6895.81 21333.32 6824.94 5506.57 4722.24 10186.27 14225.64 20943.02 8345.28 6600.35 9391.16 7864.72 7886.47 10289.33 4040.08 6568.99 2144.42 11829.22 11511.63 9865.85 2604.88 12644.53 13395.33 8444.18 5692.83 6743.44 8529.16 3992.83 24693.34 19759.33 11872.59 11775.99 6680.11 18636.57 13100.23 760.99 6717.74 12144.55 9594.21 6247.91 25355.82 7252.33 9918.32 15396.62 11462.36 15610.46 8967.56 17442.61 24333.28 9213.34 6070.95 8891.03 12138.3 1411.22 8434.95 9904.87 9648.39 9893.62 19032.99 9142.71 10036.44 4534.81 6586.39 5710.59 7661.48 5873.59 3440.01 10921.52 11967.14 17267.48 5871.02 4125.77 8288.07 8290.88 8206.86 4852.85 5484.09 8645.39 5015.39 4902.63 4649.37 8170.96 5206.04 5014.22 4659.31 4258.66 5351.8 4874.43 5412.36 5084.6 5591.83 5282.37 5006.77 5232.87 4920.41 10301.92 10101.68 10630.57 10309.92 10301.26 8998.86 10090.35 10297.46 10085.13 Etamsylate 3016.22 18717.52 20160.38 9235.23 3375.07 6312.26 2399.04 3681.81 5172.42 7167.06 4238.96 8824.03 5838.4 6859.58 8741.27 3569.53 3574.82 13939.14 12443.68 6797.2 3358.92 5030.56 7680.52 7523.8 4639.39 4094.05 12022.86 3407.43 2844.19 443.37 3818.15 21719.97 666.66 14052.35 6969.68 2974.2 3202.99 4315.13 1982.08 13686.63 6289.95 6107.83 9235.16 3409.73 6163.97 2846.14 3144.8 6945.78 3798.93 11612.31 832.22 47056.59 9463.6 17184.33 6145.42 12619.98 18660.59 16315.37 1941.87 1571.82 8859.9 12409.5 3526.76 13539.01 3506.9 13917.5 7281.74 8087.7 3546.77 3045.39 1160.15 30985.37 6595.81 14700.18 6120.84 7866.53 8132.91 8133.53 7906.93 6006.36 7850.75 8088.3 8147.99 7840.51 p-Toluenesulfonic acid 19292.02 50754.93 18340 1041.72 3344.17 52675.65 27335.55 40637.92 60768.31 56566.81 14701.22 25255.76 4683.19 20073.11 67319.92 27808.08 16540.85 50916.84 75400.2 62906.25 48242.67 95071.25 13799.15 41920.73 53582.24 66635.03 23406.07 8182.57 42731.02 15291.22 38888.43 14354.25 44704.75 2569.58 12961.26 38907.41 29023.81 44787.49 12518.14 15086.31 7435 47090.26 22263.41 13578.33 31199.35 606.26 58109.95 56116.2 4988.5 13214.39 16476.13 45571.46 13093.45 777.39 13388.52 60542.52 22067.77 27789.72 28724.31 25025.77 12952.18 4225.57 37938.75 30302.22 41093.58 22916.02 53880.11 8387.42 21815.25 55573.65 42467.66 60757.32 22503.85 12660.74 522.31 25600.06 24945.75 26375.23 25468.45 25544.22 26445.56 26375.86 25822.31 26092.93 (Rs)-Mevalonic Acid 3173.51 19003.22 18554.74 18141.91 7770.83 23711.51 5701.48 8626.16 51640.29 4864.48 5679.45 9919.23 6212.16 8779.17 10298.72 7733.51 12164.49 5009.9 6780.62 4344.83 14677.88 32871.68 3826.62 4811.55 2873.92 6748.09 13374.55 3584.87 28258.79 2994.9 2106.35 2841.94 6785.07 8273.31 3482.26 3415.07 2922.19 18417.95 11964.78 3622.09 4797.18 3782.88 4062.94 2654.86 2106.39 8394.58 3064.39 16024.22 6648.05 12344.71 2331.96 5565.79 3265.15 5858.74 7827.64 3576.14 21316.08 15767.65 3099.59 16672.62 3855.98 12165.51 3176.35 5027.92 10597.11 4632.59 19937.99 7818.2 2841.83 5822.75 6880.77 3189.54 10903.25 6624.71 3341.17 9502.13 9429.69 10196.94 7794.35 8896.19 9212.77 9658.67 8977.83 8865.6 Oxiglutatione 2119.4 1453.72 31904.89 30953.88 5430.62 4592.62 686.08 6200.8 6274.1 40083.95 44914.83 23714.1 21242.78 30742.18 6847 29984.78 38366.83 29946.78 26238.99 11879.87 12814.06 11466.35 31717.28 31640.53 11594.72 13005.88 24322.92 29966.78 13510.19 33187.68 3519.58 7106.12 4040.42 22511.65 4711.09 2626.31 26300.36 2727.54 24284.74 663.45 2677.16 4302.62 25932.88 45288.6 8003.1 5060.19 1599.87 1140.09 14769.49 5266.94 2945.13 12439.86 22716.83 2774.85 3197.69 6914.3 43373.42 5843.77 30892.38 5310.28 5919.43 3477.56 26583.15 4114.46 4787.84 6472.02 17847.24 37096.47 28676.61 16109.38 6410.28 14357.82 13284.57 46414.71 52830.38 17441.35 17670.48 16340.83 17641.37 17648.5 19309.13 16774.72 16861.23 8339.64 5-Hydroxyindoleacetaldehyde 2286.48 883.43 21004.51 61928.45 69343.14 118786.05 290723.26 5744.41 3353.22 14450.04 27197.74 29998.3 193157.37 15429.73 6575.78 36224.72 15875.94 8859.21 773.52 987.57 37718.49 13193.81 17533.21 18630.81 5442.3 1694.45 4362.45 7299.58 36901.21 6483.96 5494.64 4752.55 33315.93 52865.61 49741.54 398.28 25258.62 621.58 5360.73 29415.48 2048.75 4068.39 15536.74 10679.32 3667.51 624656.72 11375.8 1821.18 7880.18 81577.17 10697.85 5644.31 29969.96 134884.18 2599.23 362.85 22033.82 15697.46 3237.17 2695.41 1079.61 4370.46 6589.94 46886.01 11273.1 41229.57 16189.4 1109.02 1959.31 8463.4 3147.1 778.43 21730.14 60312.25 203536.75 581.86 6185.75 961.55 3364.91 4971.49 10158.64 512.38 943.76 3903.62 1077.68 1250.41 555.38 536.02 3204.73 3403.03 3034.12 11690.66 5699.74 9580.02 7696.62 10366.12 47574.6 47433.87 47144.01 47078.82 47590.28 47271.85 47583.2 48312.3 47588.28 10-Hydroxycamptothecin 14319.34 25390 15296.77 21739.12 8736.49 6797.6 3152.17 7518.36 29392.49 11376.67 13429.52 48748.41 46525.6 29654.8 13759.04 27836.23 26663.38 33556.44 51150.32 66326.13 9436.88 14142.26 12693.58 19292.42 7699.83 15494.84 10809.35 15452.56 22362.66 26638.78 57289.43 74359.32 7490.81 10306.19 5808.64 10930.29 11463.08 14265.59 3360.4 12493.99 53855.89 10524.38 5113.48 10266.87 37694.1 40475.48 3203.6 4690.21 25807.61 65454.75 11163 12412.51 3441.2 34421.87 4996.26 18862.63 11283.45 3692.63 3427.16 6515.2 2028.31 1905.67 7669.24 4435.51 22147.92 51596.52 32606.1 17729.73 20191.7 4299 11780.9 10294.63 4817.93 34590.84 20231.38 24636.29 24844.9 24782.59 24820.28 24481.11 24047.31 25824.36 24802.25 24246.98 3-Sulfocatechol 29681.91 29834.18 28980.93 92777.76 22094.03 73392.9 4990.42 27454.57 31062.09 34651.49 31251.78 31208.97 44329.94 35011.11 27532.63 27682.97 35349.53 31563.81 28443.22 23318.28 23109.77 26206.4 34793.15 31428.88 27397.45 32775.78 34413.53 31643.78 20841 33253.37 19858.02 27581.17 18872.57 27866.5 31027.88 24666.43 26742.95 29020.67 27455.28 36143.71 32315.43 25716.9 28032.98 29280.19 27239.18 36898.86 25313.57 27834.89 27278.39 28867.51 24754.82 21320.29 26707.77 40608.66 33875.77 28640.9 34667.29 34764.71 27345.49 30190.51 26842.02 27092.11 26944.84 27173.63 25630.96 25030.73 21777.67 31411.54 31858.83 22725.89 26333.46 25387.8 35213.09 30455.39 40872.03 3626.0 8007.87 9490.49 9395.81 6772.06 6405.69 4319.22 7596.04 3413.12 9847.84 7666.27 4891.84 4712.96 4477.64 3339.51 3740.68 9918.27 7091.36 6194.95 9388.9 9444.88 9048.9 7606.5 8637.04 6907.44 33503.02 34396.33 33345.42 33740.46 33841.95 33505.07 33515.35 33832.48 33837.38 Mannose 1-phosphate 676.43 5014.05 6643.13 5184.02 9616.89 16121.71 9832.25 2223.24 7715.82 1310.98 3501.06 1823.03 2073.21 1552.68 4737.57 5407.43 3795.53 9044.19 500.66 13187.17 7260.04 4163.54 1216.98 1111.17 1821.79 1103.31 777.32 780.66 8827.16 30674.03 6574.61 1571.33 824.69 356.55 455.76 325.45 656 1132.17 558.14 448.32 1273.37 283.28 647.21 714.25 1517.38 4404.63 9263.82 1111.91 555.74 568.62 395.46 355.9 373.42 1697.72 872.28 1273.54 6725.94 5966.17 2250.28 5851.04 888.62 924.47 824.48 616.78 2205.11 887.47 13996.9 1985.72 1394.67 1098.99 1042.57 1171.69 1432.05 693.79 2088.21 2929.09 3508.33 2930.84 3098.92 3034.18 2585.28 2929.52 3075.67 2908.07 Indole-3-acetamide 1820.12 3708.29 412.35 480.6 1970.15 25984.78 3285.97 7366.01 1305.83 2135.77 899.96 1549.77 1547.28 2587.91 5930.04 5894.41 3434.05 1546.28 2094.45 2603.61 2130.64 3918.41 2844.49 4352.26 77848.63 5843.42 3246.15 738.94 4377.4 12808.59 5239.54 486.97 6183.34 4463.79 7588.1 899.83 10389.29 5291.86 4329.16 4237.21 13464.47 671.53 4566.39 493.23 465.31 5415.47 1867.86 1144.93 877.8 1273.84 766.52 6514.63 892.4 5207.17 9421.94 6389.55 305.46 376.99 2149.96 391.47 4228.02 822.72 2807.92 2279.53 465.92 1021.76 2157.66 566.94 554.36 24580.73 50747.13 15793.75 7091.17 3862.83 1842.08 5263.89 5960.05 5373.81 4717.1 5498.48 5587.75 5075.16 5765.59 5055.84 Letermovir 153.47 41.49 27.83 2176.11 6907.1 87162.59 6421.04 22.26 1285.55 3974.42 25.25 2037.89 22.14 9.54 80.76 68.09 89.55 119.05 173.15 11.75 22.49 4473.03 55.83 36.63 23.85 27713.39 20.56 2182.54 92.18 82.35 45.97 82.92 5691.24 73.1 30.79 22.09 15.2 27477.07 1212.96 51.39 54.44 379.88 29.4 1693.2 52.75 1450.11 50.65 35.54 22.48 66.42 50.5 1352.04 11.98 11.15 105.77 44.55 1627.92 30.66 61.78 29866.5 59.63 37.41 34.07 1760.74 22.01 192.21 3235.59 15.85 39.17 2260.96 75.53 2586.22 11.59 35.49 1485.12 4156.9 4592.56 4260.47 4479.39 4607.19 4692.77 4575.81 4121.75 5667.88 Naringin dihydrochalcone 1101.35 1621.85 1175.36 557.86 1118.72 1654.33 2477.1 1493.68 2136.99 1568.21 1743.06 2336.12 2855.91 3000.3 2182.7 740.08 1068.07 441.02 3712.56 815.84 2811.7 1162.69 775.16 2014.49 3414.46 3133.13 2107.09 3466.17 745.68 651.35 1897.85 9356.47 3526.71 4348.99 4952.23 8082.29 1334.55 889.13 6576.2 3988.42 3563.2 4778.83 5524.75 5724.7 5524.86 2058.13 2197.57 4693.26 5138.38 6860.51 4200.81 5678.86 7799.33 5175.05 5939.28 2579.9 1960.9 1868.34 1211.13 921.35 3144.85 1845.81 3066.74 3447.62 3321.17 8507.03 4477.74 12732.52 5248.94 6832.86 4517.88 8774.84 6828.27 2862.72 1691.33 5502.66 4806.96 4191.23 4773.76 4267.99 1844.83 4332.88 4777.8 4717.12 N-(3-Hydroxypropyl)phthalimide 3167.85 15527.64 2153.62 3033.67 23223.22 30997.1 4387.74 23629.08 23264.25 12811.99 5256.74 6232.28 3047.55 3881.47 13319.39 9602.9 2088.06 17866.38 16783.86 30373.1 23335.45 3226.32 6052.93 2287.49 14917.91 19823.91 3000.36 3245.95 14689.39 1390.54 21135.68 12966.23 12706.31 3767.26 2047.47 6044.2 6142.3 13183.81 1001.85 2711.66 15327.48 13458.41 4518.7 2277.11 16632.23 3928.3 19524.67 5955.79 5453.44 4677.68 9840.55 12017.35 2154.07 2270.87 8118.9 13312.85 1781.33 975.99 20289.38 8607.02 609.37 2320.75 10465.79 2327.4 3501.79 14125.42 19559.86 1664.25 3255.29 14310.81 16852.43 5500.78 1864.45 1605.18 1191.39 9166.04 10395.62 9045.27 8734.77 9192.9 6916.6 8771.08 9161.63 8897.85 Eprodisate disodium 732.36 10222.3 35302.29 16694.71 6289.91 16270.52 11737.02 3300.43 3215.16 4130.98 3521.41 5939.98 13060.69 6612.7 4655.75 18341.33 9254.27 5166.7 4870.53 2398.06 811.38 5032.69 9277.97 5253.11 2540.99 1096.9 11557.24 4224.23 9290.98 518.38 3889.68 3903.69 8352.14 4985.08 12884.98 2352.56 631.83 3783.22 2471 4040.02 2027.49 584.08 8176.76 8941.37 6577.88 9031.4 5121.29 52473 10824.39 8050.02 8830.19 6985.96 8907.43 14300.23 931.47 14451.72 13494.49 8396.35 2785.23 2874.6 9252.99 10067.27 2395.83 12020.19 12703.81 1519.35 550.8 8166.49 8060.03 1069.25 4080.12 1175.43 920.5 26856.54 18522.29 9215.77 8611.12 8780.55 8607.46 8482.08 8752.74 8675.77 8621.63 8605.27 gamma-Glutamylcysteine 4915.94 362.03 1202.4 528.55 4654.95 1696.33 939.36 1041.42 31902.99 2179.54 1090.05 9159.92 1557.53 1084.36 1764.72 1630.41 501.47 6821.97 1123.39 5708.13 2473.48 401.06 1242.66 1144.9 2048.16 3942.21 7770.82 7419.82 4031.08 9470.2 9701.22 26595.23 20399.45 12979.99 7347.2 3668.11 18516.84 6595.13 13961.82 10454.8 5892.8 9801.13 17696.03 6106.27 6767.01 6957.33 33255.43 5316.79 9059.15 19713.6 4921.86 6633.7 17488.52 14395.36 3463.59 2164.52 4108.8 2815.79 12465.24 1263.29 9811.51 8604.17 677.09 6149.09 6054.18 19800.72 1562.99 10488.22 8364.33 4434.33 7050.36 17077.28 17568.28 17705.36 14215.79 4228.42 4464.99 2268.95 2611.45 1357.66 11294.94 3680.99 4106.12 5483.66 3953.63 9793.47 8409.48 4757.85 3601.19 13227.82 2238.5 5390.8 4597.11 1993.47 4965.97 6313.64 2929.57 4879.34 3236.5 4560.25 6742.88 10113.16 10654.73 10049.28 10416.88 10563.29 10054.59 10617.29 10584.9 Caffeic acid 15831.58 26112.67 1984.21 4009.31 29659.44 49554.8 13246.18 51672.32 53884.28 7071.45 15543.13 13995.99 9917.72 4623.68 47487.72 28440.11 18108.03 39240.36 24625.87 85737.8 24377.73 4255.4 4987.38 12819.02 30621.08 27628.11 12301.92 10842.76 43174.76 5073.79 53800.58 18294.42 18599.34 3206.95 2461.01 21035.33 40452.04 5555.26 8797.57 7596.32 26341.85 37142.96 13177.54 4842.55 37821.67 5825.65 54078.21 20050.52 6494.53 29915.73 4657.35 21141.29 5564.21 2383.36 6495.83 11277.3 5204.94 1056.97 33140.86 6506.48 10222.47 1168.4 11371.35 3931.97 5334.76 19169.6 42563.2 7522.75 15900.57 33660.69 19536.27 12093.32 18911.68 15588.11 6200.21 21863.69 20805.94 21859.63 21873.17 22278.58 21842.9 22702.99 22296.94 22992.04 Glu-Ala 15586.2 8706.58 1667.89 1727.48 23223.13 10637.1 3662.72 26893.1 7821.36 12473.9 19119.44 14690.45 9267.89 11228.81 12885.53 24111.61 11735.34 11286.6 19618.14 18331.73 7786.81 4221.22 7517.09 12912.73 19997.82 15019.27 13242.77 9118.46 19612.89 1679.93 19777.54 17240.04 11009.49 3359.4 6873.73 10698.28 15863.8 7193.54 7350.17 8661.44 11931.41 12532.68 7823.79 7025 19060.45 4254.77 20476.51 17322.49 7206.8 19086.46 9256.99 7261.8 8007.02 11117.06 10431.79 12139.59 3788.93 954.3 12596.99 6127.73 6390.4 4270.85 10037.6 9995.1 11533.22 13843.28 9974.36 5255.91 11657.71 3411.51 14472.96 11390.88 12925.58 6120.29 4239.55 10962.24 11422.37 10750.22 10880.56 9110.83 10759.75 10942.29 11000.25 11087.42 Salicin 2490.25 973.79 233.32 7294.32 5388.76 335.7 1431.24 6186.7 3764.39 435.07 5128.54 24521.07 23340.27 3473.14 388.86 2341.03 727.37 735.73 1502.31 1125.18 46114 991 12239.08 2017.95 803.18 713.37 417.83 1865.38 1595.5 3788.67 1096.02 1517.37 3515.1 1935.93 1115.9 585.55 701.68 4283.39 299.61 554.01 802.23 358.51 3694.27 310.71 1913.84 16831.01 700.74 427.17 9390.36 2704.54 9559.87 1459.47 1669.18 11791.59 2065.94 416.2 407.51 5249.91 1006.33 204.45 5443.43 3379.97 1162.46 1615.35 3377.56 17489.11 7880.92 1374.29 4685.04 2126.57 403.32 587.87 711.93 3393.43 9793.01 4869.35 5147.04 5065.87 5243.9 4696.54 4733.56 5641.43 4826.7 4258.08 H-Trp-ser-OH 15882.78 2746.41 593.05 15039.54 22820.71 527.18 2478.27 23649.33 20087.99 8056.66 10270.42 21469.19 20756.92 14338.61 10156.57 7218.54 4564.76 25204.73 21239.76 8915.53 22002.12 13363.97 3661.86 9127.13 24325.05 19707.77 3634.91 6391.71 15896.59 3133.9 29603.56 14026.48 7651.83 2862.01 3321.88 18356.39 14172.12 627.84 1482.46 816.31 27083.82 23551.53 3364.16 3615.36 28632.36 13887.98 8764.61 6792.23 10514.05 19791.3 15433.11 12783.4 6496.39 12217.96 17389.67 4281.81 2637.63 5505.73 13280.41 5709.32 1703.69 4030.15 8869.03 1511.68 6441.67 16507.28 16365.82 5828.84 3219.78 13968.83 5043.54 779.24 2175.29 573.2 7808.39 26053.14 18569.22 21749.28 3509.06 29546.81 12933.68 4080.25 2313.39 30365.65 1590.24 3397.01 19753.27 3094.99 2336.39 25294.99 39286.36 18407.52 8439.77 1737.65 27283.15 31905.9 21041.04 2705.23 1957.73 27188.6 11519.92 12186.03 11428.87 11403.69 11814.45 11411.45 11434.39 8867.37 12266.15 D-Xylulose 5-phosphate 28392.13 25123.99 1547.46 960.26 64581.98 11081.38 5243.21 47790.85 78807.02 17599.16 15384.82 14704.31 4774.33 10992.17 28067.25 10060.88 2394.41 44463.71 23215.82 80653.05 76408.98 27327.58 6811.44 9224.77 62728.54 23829.07 6641.26 5730.17 43365.86 2558.84 36473.3 17602.56 31873.69 4376.98 3869.37 27578.14 39443.62 9732.16 6222.78 4377.05 16015.6 37884.61 5696.15 2757.51 26473.46 11861.22 37300.37 11896.2 14120.26 9533.2 24059.1 42054.22 4636.91 3996.82 10214.6 21742.85 5049.32 1200.34 30788.19 2690.34 2051.34 2512.54 27454.58 4539.31 6183.36 34581.66 88474.23 4149.11 10908.69 66876.21 33436.67 17666.78 3106.2 3588.89 4354.65 3159.09 2681.06 2889.79 4474.55 4563.74 1067.1 6796.7 8960.74 7341.1 9451.45 3869.15 7217.18 1056.49 2696.59 4919.96 784.01 5660.66 5632.81 6218.13 4656.67 3875.2 3301.62 22983.48 22130.41 23063.55 21503.59 21197.71 22937.15 25932.75 21971.54 22057.71 Tucidinostat 164093.49 137931.8 49798.29 3251.34 216417.88 170332.64 84196.56 228794.96 238168.99 116030.94 120213.52 173864.59 116037.65 86610.21 169713.09 163010.84 59210.49 167142.86 149498.91 193837.56 231054.5 153483.19 91398.21 74748.1 200990.99 163930.27 76037.32 92505.35 219023.33 127069.37 239729.67 208094.86 153545.42 110347.85 63891.97 166573.93 175092.44 114286.68 68862.84 52611.48 209717.35 275517.86 82813.95 42016.4 205206.27 90452.53 270253.73 136219.52 179470.49 225453.15 182163.39 122494.58 83744.1 93316.47 94974.23 105879.4 42850 30195.97 155926.26 12754.38 41942.29 51495.89 97013.39 67524.54 92066.46 172965.37 326178.55 86596.64 92898.02 180559.27 335316.05 136873.01 56120.13 91084.08 63571.06 150746.09 150769.26 151329.36 151536.83 153154.93 138043.77 151965.1 151323.11 155480.16 Alimix 7371 1249.02 792.68 892.5 15612.27 1738.79 15117.75 18952.01 32330.12 13526.52 10943.38 13328.98 49020.25 542.73 9903.84 1482.16 8571.92 24341.57 12710.95 14937.79 14803.77 5548.33 13206.03 11540.96 23379.81 27708.39 10808.14 12280.77 13667.93 5834.47 14048.7 9209.28 7322.44 1107.55 2275.31 5112.87 3585.3 5153.52 416.02 14155.43 11112.2 10165.47 2835.89 472.26 7995.49 7773.6 11052.64 7224.73 7091.3 20157.53 4921.44 807.8 4399.98 11083.17 27733.44 2338.16 2410.65 860.77 6269.07 5778.58 5717.88 7326.36 3735.33 8639.11 21872.87 18575.32 7863.64 1550.72 26516.38 17561.4 2982.14 3968.55 30675.12 12651.46 10625.87 13936.68 13286.92 15070.69 13262.05 11275.41 13828.96 13285.02 13843.68 13873 Pyrophosphate 48783.53 52890.31 14241.88 28068.27 88974.95 151269.57 38751.86 18004.12 11767.62 33422.38 37846.42 34737.74 35453.08 22695.83 61610.17 47747.57 36899.75 46748.49 43792.74 31991.97 3019.7 12657.83 15131.49 12083.93 37390.92 50434.2 20236.42 24152.17 45259.06 14367 20519.49 18152.03 42950.43 13305.52 15437.52 20185.3 28657.5 73073.45 17662.54 24146.22 17960.1 81072.92 23680.73 13398.47 37570.59 15905.04 29842.13 20564.16 40787.36 132052.33 44703.15 55360.86 27346.61 62716.21 38376.64 60213.16 6056.92 8218.3 46753.68 32528.48 24178.86 19982.41 37525.79 12910.66 22717.62 55552.65 11868.38 12855.37 17478.69 18631.27 43352.09 14254.59 29137.25 33564.15 22504.09 32193.45 32260.28 32447.6 32938.23 32450.35 32447.96 32442.4 31572.5 32152.24 Glutamine 12528.28 5393.28 1942.97 2465.8 3317.82 1719.88 2417.48 16333.64 21300.41 7592.01 11481.82 12091.56 12742.08 17340.74 10884.34 7089.95 5564.04 8146.22 5299.36 9518.7 12304.34 3559.63 7836.24 9766.32 16566.11 13960.71 18389.93 11324.4 9284.35 9125.92 23026.52 18393.37 7262.64 6842.26 5933.33 13254.25 27890.88 4083.62 10152.6 4003.63 13939.32 16442.14 8878.42 5252.6 12857.02 20982.8 13032.36 12494.64 8789.72 13318.05 2369.23 7152.64 6691.23 6337.05 17736.92 4511.48 2343.72 2396.81 10403.99 1562.09 2533.81 10213.75 3988.07 4662.72 7143.33 15976.57 9262.11 12208.15 9359.06 9750.26 15162.36 11728.26 7215.98 2697.57 4987.51 7645.74 5721.73 9564.21 8801.6 3661.3 23450.18 17079.85 6669.14 9497.63 22624.13 50085.64 10331.77 14337.49 6815.42 38233.93 12568.83 19337.89 24648.25 7240.44 10163.04 7184.4 12518.58 12187.12 16302.64 9859.69 9075.37 9256.99 8994.88 9354.03 9040.45 9357.85 9372.32 7707.75 9947.5 Cimetidine 11844.77 12387.73 11128.77 12256.9 16019.5 19558.94 13974.11 10164.37 2294.43 12522.81 14223.55 6561 2046.57 13223.37 12809.13 13739.36 13546.33 12524.62 12015.02 1145.27 14508.23 9300.83 12045.23 13236.16 13232.17 13188.64 10285.02 10621.74 6519.95 2911.33 2489.35 4842.03 7577.45 7037.61 7414.54 4549.87 3878.49 9192.39 7147.25 7445.03 4257.05 5943.06 6911.46 8002.77 6689.09 12799.41 8277.24 10130.96 8791.65 10181.48 8874.74 8497.73 7592.66 10656.85 9038.13 9249.63 9551.82 7848.34 9168.2 9510.44 8635.53 8382.53 10311.06 10153.38 9532.13 9374.84 6371.92 10106.91 10730.52 9416.15 9515.38 7804.2 9559.9 9494.69 12282.62 12045.72 11931.43 11632.3 11624.92 9795.84 11493 11944.35 12477.79 11712.31 3,4-Dihydroxyhydrocinnamic acid 2619.55 3261.33 19502.24 24601.12 2340.19 19239.65 14785.73 14744.98 2295.77 22320.7 26538.12 17570.19 21659.43 1019.89 9482.67 5005.8 46701.51 21821.95 12653.44 705.15 786.91 15645.61 11503.74 4034.84 20409.98 27632.65 24833.34 26908.14 11814.78 13915.2 3362.67 14224.33 12976.21 34226.92 45156.14 15316.08 16493.29 33305.23 8341.23 53958.94 8082.95 6850.51 29745.34 963.51 2955.15 33506.29 3500.86 11045.94 10546.54 13530.97 18109.86 6318.1 65345.19 88741.4 92413.1 15893.57 18147.8 68926.92 20413.06 56340.36 7794.18 2113.63 12739.65 98226.57 41568.12 27178.77 1578.26 3953.42 9040.69 6616.71 8294.03 1462.59 52036.71 92585.51 15846.84 9764.85 10016.62 7529.34 7936.7 8460.31 10600.7 11098.65 6582.19 10139.03 7718.35 10058.84 9055.54 9124.32 6718.2 7021.57 8543.8 8660.39 10793.3 5383.46 14073.59 10600.81 6643.15 8982.85 8561.88 5576.51 22931.86 22932.35 22938.32 22950.46 23195.34 22932.01 23214.47 23222.33 23240.99 Pinolenic acid 7565.4 435.64 298.87 75330.14 113917.56 128896.16 258606.84 2281.61 793.25 1085.32 1150.67 5222.54 62054.45 864.98 3113.43 7695.11 1786.97 1120.56 3934.22 863.22 1329.75 491.18 554.92 489.76 1778.64 5090.76 5468.46 3923.51 2195.28 1877 823.09 11307.13 855.73 12250.59 2337.47 2885.86 1205.57 4607.36 3741.48 1251.36 100503.73 12634.91 401.21 988.94 1397.87 51652.48 1191.76 961.34 836.9 2571.26 9471.99 3105.27 2400.45 6080.54 19213.31 815.16 328.3 251.72 2327.85 10197.76 180.71 5443.1 2353.47 654.13 589.39 7864.71 749.9 1695.09 678.91 923.35 368.65 2108.97 768.39 1983.81 6457.08 3729.03 5109.88 5195.65 6457.68 5264.71 10805.63 11662.47 6774.57 8435.98 6428.46 8377.91 6354.69 10793.99 5187.62 6252.09 4745.54 7856.63 6407.66 4817.76 2779.09 8190.53 6416.34 6664.7 7570.46 6718.61 20621.13 20620.77 20697.62 20698.19 20620.69 20620.79 20621.74 20746.71 20800.14 4-Hydroxyquinoline 6089.5 12589.51 120262.9 47030.91 6038.52 154495.26 17057.35 3439.61 15880.05 4805.88 8885.92 6112.51 14741.52 10719.38 7624.34 9173.45 7180.95 9481.63 5821.4 9212.2 20120.4 267044.58 6760.44 21208.58 7889.04 11508.67 3393.51 19648.15 8248.68 3411.65 13316.25 7544.67 9448.44 25204.83 17465.54 9079.44 7941.94 196019.32 25503.69 8270.57 3399.67 7327.62 7937.44 29078.27 14279.85 24923.52 11000.58 16733.42 25101.35 7348.82 7093.55 18269.62 16833.45 18799.63 18984.41 16261.92 61479.02 87791.69 6624 182401.8 15488.99 25961.81 18019.5 17411.78 12138.33 15950.15 11713.3 17087.2 15808.04 12303.93 16935.8 15738.07 22360.28 23817.82 22820.52 27867.65 28157.38 27553.58 28163.41 28054.75 27541.04 28172.79 30396.53 24812.76 Tiglylglycine 655401.88 357401.19 248248.58 126935.66 288397.16 369444.02 215272.71 840945.48 764027.13 405973.65 399782.37 245635.78 530707.97 253272.09 800456.47 571371.64 373259.9 232731.17 118288.09 607451.72 464851.52 1082161.11 361237.61 307095.86 140336.45 156819.31 134226.55 71108.75 1132223.04 261775.89 287144.13 38913.67 522821.03 520579.3 376554.75 361792.29 217220.91 173380.41 137630.97 81583.08 433041.7 751714.7 136525.99 93039.23 529903.08 216370.28 241870.61 180058.78 254715.51 347944.04 856889.34 637763.97 368733.07 278098.18 297102.4 615702.35 152902.03 35818.4 594468.86 301986.83 342415.93 563019.52 712164.12 412662.83 396964.31 347774.51 179715.06 392919.11 198804.27 411610.74 245082.92 277953.53 76520.22 75721.99 129715.01 398650.32 394272.67 394009.92 395035.03 393181.79 394008.55 394019.39 394198.14 395036.45 5-keto-D-gluconic acid 66825.43 86490.38 574694.13 237507.92 42111.39 4737.64 129058.41 47827.75 15148.54 112340.64 203742.69 33459.3 49589.68 110234.04 56720.99 134046.84 158580.68 47500.9 48929.93 4737.11 34550.11 30495.43 88486.02 119287.91 66891.15 83406.95 111718.51 93939.69 48688.6 22542.75 18610.42 26125.31 15367.82 111549.18 117520.29 35822.33 65132.03 77964.54 67090.1 93349.73 843.58 17352.83 187418.38 102133.52 51211.09 127742.31 44939.79 27046.19 51728.89 28810.71 33371 46182.35 137190.2 207726.98 92442.71 79071.18 1060088.62 574815.9 35898.11 72219.19 172108.54 80984.6 82046.03 153506.42 57849.59 62295.58 30179.82 119611.38 100772.7 49650.92 36716.42 64677.59 116839.57 216586.9 227573.36 106456.87 108778.42 105665.2 105702.12 106163.3 105842.44 120768.84 102959.83 107988.54 Estradiol cypionate 3718277.29 4148215.04 5137842.71 5656264.36 3283742.31 3322289.87 4091408.29 4085727.6 4817563.72 5247098.42 5436685.73 3900960.18 2827524.07 4404212.14 3392552.35 4443476.64 4962883.91 4058664.99 3244894.38 2603177.59 4443064.33 3726768.25 5480778.42 4358757.3 3813553.69 4348057.47 4638844.04 4852259.33 3127252.97 4794660.87 2618775.23 3984671.58 6283049.24 3941621.99 5756883.83 4645008.36 5889392.98 5331805.39 5611660.21 6692149.66 3783943.43 3219690.17 4208910.11 5433946.71 3557490.6 3548835.67 3769767.09 5063392.85 4461763.62 3104301.68 4640620.08 4183765.9 4152277.46 4080616.41 4757797.36 4364647.48 6746582.24 4950022.83 4068005.35 4282577.86 6295310.19 4408438.93 4932577.04 5339006 3832048.2 4123439.23 3628548.98 4637706.94 4912033.48 5070973.8 5154455.9 5354194.33 4053132.29 5341073.81 4378137.21 4837436.67 4836664.92 4791446.77 4836897.62 4709343.19 4790103.55 4792095.59 4838715.6 4836701.84 Rifamycin 608.78 5369.15 10319.95 53925.46 2201.19 9049.4 43808.32 310.32 6949.5 4598.2 3676.7 10621.28 49792.78 231.12 8322.77 30072.9 15497.7 5124.96 1157.49 380.3 521.07 237.76 7609.99 897.3 3816.47 931.45 638.99 5365 217.38 5350.98 8813.35 394.96 3576.16 12847.27 502.71 1330.51 299.03 4816.31 243.8 1417.77 1650.27 602.94 668.09 4618.55 262.29 43959.58 4614.25 290.51 232.29 1400.05 681.79 3277.01 1806.5 101565.75 17848.58 3134.5 777.35 9392.66 839.36 53779.61 6568.19 2669.98 5924.44 25177.55 498.79 6915.03 718.43 597.57 7842.59 580.16 1712.19 3549.81 7770.77 27280.36 14928.91 10702.83 10861.25 10704.75 11039.23 9963.48 10700.88 10862.25 10864.93 10771.46 7-[2-TRIFLUOROMETHYL-4-(2-HYDROXYPHENYL)-1,3-DIOXAN-cis-5-YL]-HEPT-5Z-ENOIC ACID 2796.14 7218.77 25333.91 14203.52 10359.26 2372.11 237.71 6290.44 13975.84 26608.69 28395.43 26274.53 11567.04 12893.21 2407.03 13359.04 31418.12 23703.06 27877.36 1066 10981.39 21785.19 17059.3 31420.52 23050.7 14762.78 26864.35 18186.83 8910.27 6943.89 5474.73 5811.11 2797.93 13882.28 13386.82 10774.81 1822.9 1785.74 1350.17 9945.11 322.22 1310.33 5247.27 9098.02 9080.1 11640.12 2542.1 7999.01 11474.32 667.88 3965.46 854.33 16069.72 15340.72 4743.4 1052.44 19308.86 16751.89 2560.02 2053.18 1690.48 1782.96 2384.68 7060.64 12432.04 12617.11 7037.16 11027.85 5478.52 3832.94 839.79 2686.48 5409.91 11561.51 8814.02 2351.22 940.72 4975.38 3007.69 4320.58 5131.45 5641.45 735.81 5095.64 4187.24 2382.27 2546.94 3278.65 595.71 2576.03 939.09 5397.16 4510.2 2051.76 5806.81 9239.37 6977.49 7127.16 13919.93 7401.11 23690.11 24529.69 21625.1 23136.27 23124.13 23703.25 23416.59 23173.01 23171.89 1-Octadecyl Lysophosphatidic Acid 2517254.59 2908700.9 3451465.16 3441445.9 2276763.72 2551405.01 2678389.94 3169547.24 2554486.92 3961235.7 2926459.14 2477986.64 1718760.48 2420910.28 2748879.38 2830223.65 3234173.71 2641299.28 2633574.54 1817862.21 3473969.28 2540905.82 3047384.06 2984614.55 2930844.99 3411153.09 3238747.93 2470952.41 3399667.3 3770050.04 1836508 2220058.41 4607973.8 2894882.57 3706892.43 3023751.55 4430610.21 3968827.28 4088016.21 4669205.3 2259114.16 3097170.4 2731212.4 3672687.3 2238641.8 2748039.61 2976013.4 3287530.49 2163500.9 2001860.5 3315704.7 2867541.69 2766820.87 3040873.57 3276890.39 2599875.12 4400793.88 3671795.9 3372708.37 3627009.48 4454636.37 2919043.42 3349362.61 3109313.5 3586944.82 2925607.34 2291162.6 2807947.97 3323273.17 3703439.72 3046818.21 4175095.57 3445485.79 3533855.24 3504359.12 15126.8 23066.25 13544.05 13515.5 14763.55 14981.73 13833.2 13589.52 13014.63 12817.6 12443.08 12705.78 13522.46 13851.95 13774.34 11802.55 14462.93 13991.5 13445.97 13607.48 13025.18 13854.6 14128.23 13819.08 14005.8 3326559.72 3318673.86 3349503.99 3353798.32 3299403.74 3352045.69 3353453.21 3352065.51 3319911.02 Silibinin 28459 1833.47 22520.4 14585.51 13944.5 643.46 55753.27 38093.4 38440.6 17536.37 9399.26 68121.85 4482.64 2334.38 11583.59 28728.98 931.81 18629.42 39766.7 59250.09 26595.58 64918.87 118574.35 45899.98 1168.29 12027.53 23614.51 93192.51 45734.79 23105.78 28019.13 53507.5 617.59 4982.97 105112.77 1845.68 91718.64 1361.93 11766.37 58220.03 6349.58 1149.76 22650.43 844.33 12751.74 137937.4 31546.86 51390.54 5584.82 1547.66 18254.31 22647.4 151665.34 120185.82 14798.56 979.32 479.78 11828.49 57039.58 77063.36 26144.48 20679.91 82670.48 14157.37 1551.67 50212.22 295630.45 11800.16 81725.82 23908.88 19547.13 21269.69 5929.98 31936.36 45184.43 10568.88 12773.06 13524.75 21415.64 18260.29 9676.87 15431.41 12159.08 13294.91 9626.63 9636.6 4461.1 12215.34 10015.64 12628.47 12472.63 11134.07 17471.1 18894.98 22062.23 22958.91 14298.72 26158.78 29704.47 18522.05 27305.18 27598.05 27511.69 24179.57 20968.66 29778.13 26143.46 27216.06 12455.97 Triptophenolide 528858.67 440276.98 743432.58 689814.46 1604372.57 413872.53 501585.92 503012.84 472450.95 726758.51 546582.97 474324.97 477469.09 547791.85 361295.87 775815.88 522340.35 407908.35 445665.6 378279.11 608340.14 509573.61 721271.46 529528.16 503269.59 534017.65 634309.47 635596.37 434853.25 809278.04 363428.43 502928.78 688183.72 588681.54 734355.46 441163.42 634041.74 570156.66 711071.57 632412.22 336515.83 447310.06 581014.69 654870.83 419107.96 565881.7 474189.02 484636.78 504215.09 414664.24 449605.71 576490.65 682729.23 567787.63 505361.26 435175.43 704329.95 577788.32 620925.43 507224.05 717823.8 632291.5 483501.74 579297.75 434407.85 461545.66 413653.47 524651.68 551347.19 540173.43 546520.11 537668.05 513545.86 541394 589506.05 21810.08 24155.42 21509.49 17117.99 34820.11 39807.52 28203.74 24287.39 40233.22 14475.99 22520.46 32710.95 23229.46 27306.82 30474.0 45548.99 32908.11 45944.15 53762.51 57643.67 40369.96 40674.97 33156.62 44804.28 29110.93 590065.31 591050.19 596661.71 589168.72 589814.88 591068.05 587927.48 589178.84 589905.11 Indol-3-yl sodium phosphate 1572.79 5773.39 4158.38 1103.72 1018.18 7349.34 3192.1 7128.12 4437.67 1252.97 999.69 794.23 13520.54 4215.21 16888.58 9999.16 14629.21 25607.66 1806.56 34944.63 2644.12 2745.14 6668.28 954.7 1379.77 1616.97 705.72 3366.37 543.07 4854.88 13773.21 6015.63 22530.72 7897.5 631.17 916.11 12720.67 2788.09 4340.91 2626.1 5936.08 4307.55 1387.76 3941.67 3254.68 6216.49 16349.32 4147.73 3529.81 974.98 4471.19 1424.88 4996.15 425.86 4267.52 3376 2054.97 4146.68 22804.98 19860.37 1942.7 1021.61 3915.76 5382.24 7257.91 2424.43 4591.46 625.54 4253.25 19252.51 21035.91 6916.99 10730.7 4604.75 2655.49 4989.68 4661.66 4699.16 4847.03 5041.47 5860.28 4647.47 5036.21 5014.7 Alpha-Ketooctanoic acid 17455.09 11824.59 14520.59 13900.92 16064.92 16283.85 16769.96 20404.63 11425.32 20385.68 22221.25 21018.76 35260.86 20711.28 13577.07 23229.08 14988.57 17921.29 28209.18 3373.12 11087.51 16280.76 27956.48 19850.7 23385.84 19182.28 19730.69 25986.1 23817.43 1715.93 15568.83 32351.76 16773.03 27548.88 24339.92 20418.93 16374.53 11682.17 17918.38 15756.24 3273.6 26154.79 18649.12 15056.99 20597.45 20954.75 18005.08 18882.37 29812.95 39836.83 22820.14 18499.27 26606.56 30062.17 10533.94 13320.62 9306.49 8871.65 15154.58 5812.49 11460.1 20002.1 11940.8 18065.2 19833.13 17866.78 2590.85 19431.92 18065.6 16427.93 14295.83 14818.14 16743.36 27264.27 20813.75 17426.62 18189.48 18454.5 18350.44 18257.03 18349.9 18165.39 18315.31 18167.91 Lubiprostone 742817.79 929135.88 1083788.65 932240.31 1049380.57 820345.35 708639.98 893291.08 854481.08 796902.52 874377.72 739414.68 734201.07 971431.7 708812.82 1178472.95 975355.12 874721.66 665408.55 827973.27 996767.18 705906.66 774585.32 905119.41 792379.55 854198.09 723341.13 921981.67 834831.37 1163970.16 804828.99 977171.04 767139.14 639015.5 1003631.78 826705.46 922471.76 895540.09 919189.59 1144314.93 872681.91 856225.08 914372.01 1222875.66 804602.05 854978.17 860014.1 1017991.33 552792.7 973460.01 616169.04 960107.3 807296.39 859272.66 692536.65 709763.88 1151807.54 881328.67 665086.71 817186.34 1111527.52 701683.96 914222.3 1042663.75 816772.52 927790 868594.72 871485.49 888062.03 962072.77 738994.82 977621.04 742347.58 927907.09 923602.96 1039876.9 1045003.68 1082394.79 1026916.17 1010377.77 1020414.3 1042494.6 1043478.73 1018744.62 3-(3,4,5-Trimethoxyphenyl)propanoic acid 51487.51 148338.99 52800.68 40410.36 50179.92 74484.15 22448.21 49556.99 40015.02 34895.61 32597.88 100518.67 113560.71 106587.46 132623.24 62298.46 42683.73 192751.82 108562.73 124580.81 27516.03 31230.83 59318.72 53341.25 25964.09 40760.77 41537.37 46362.11 148592.23 54972.07 230418.15 247559.47 16692.9 30514.51 37933.57 64968.7 12266.77 45034.56 26270.57 27716.95 171169.38 186846.45 46281.33 38282.4 176663.48 51419.74 75248.49 87741.74 62863.38 254874.33 84953.45 160245.93 47203.84 69232.34 62356.76 140215.48 27801.57 30281.55 8655.56 17199.4 27565.7 22089.65 89503.23 46671.14 71327.15 102099.37 206612.02 36171.72 59832.83 20691.64 33234.66 39870.11 26993.85 32144.2 28694.02 5229.19 9110.81 3915.51 3370.43 5234.09 6495.4 2803.91 5135.12 2599.24 3480.36 4544.02 3475.33 4821.92 4794.57 4438.1 4533.8 4889.4 5356.74 5793.39 4979.71 5236.11 3610.1 3180.16 5239.08 5243.13 81105.09 77629.16 79183.16 77623.49 78204.7 80789.14 79129.72 78160.93 80731.22 Prostaglandin F2alpha methyl ester 830331.46 747887.73 970254.23 1102333.61 659321.94 724015.42 764958.78 835620.46 883211.42 1033538.33 1029521.75 843818.24 738098.63 806549.52 509010.1 1088353.99 810888.23 605462.05 776060.12 499948.93 663598.28 654958.83 1143797.78 955544.52 891693.33 921294.55 901604.42 831177.97 603590.84 1107070.55 531006.72 791538.43 784189.24 889703.13 1048344.67 750234.26 928839.01 990239.14 1105070.27 1171126.9 568613.14 812694 787077.99 965527.13 762136.89 811110.3 769115.14 1050167.18 856774.55 826794.06 641530.03 907612.45 991477.93 703331.78 883162.54 596698.36 1115533.87 952219.75 591913.96 752811.75 1113943.84 787179.9 954547 924090.2 800766.87 786694.42 729747.69 900242.17 967957.73 895864.17 694498.37 1118191.53 883535.52 1040586.16 867399.53 887330.35 881106.5 898869.3 899003.74 803255.91 883871.28 888214.42 898913.4 907188.78 Pimelic Diphenylamide 106 38683.27 21560 15269.53 35070.18 239576.91 80672.41 58983.05 43136.21 45439.87 30124.88 25996.26 76516.98 115610.11 21588.91 33851.59 94307.21 29483.87 33372.54 49702.22 44879.34 45802.97 33169.71 29527.11 19431.57 52858.63 35414.59 35537.6 19363.27 65173.88 41854.03 35122.95 103530.46 48993.42 32236.44 23917.51 29532.46 25411.96 21264.01 11996.71 16154.57 44641.82 65705.1 18387.86 12354.48 69421.95 67507.96 29577.8 23710.43 61448.84 90276.54 59170.86 23344.77 32133.72 55555.95 60537.17 24808.54 18082.87 7856.06 50683.1 43526.11 15377.69 21919.2 36686.71 26068.27 22616.94 70254 27211.82 22991.32 17993.77 33951.19 22641.98 29983.67 21862.91 29166.25 46134.22 3585.95 4309.79 3038.27 3819.41 1329.63 4955.51 3591.21 3391.89 804.38 3571.71 2321.49 1927.12 3683.65 3536.64 1845.04 3280.41 5168.78 3933.39 3955.03 2553.89 3850.9 3821.0 3966.66 4674.34 3851.72 51349.68 52210.36 52546.73 52260.99 51375.54 51595.79 51320.65 50802.42 51370.81 2,3-Diphenylquinoxaline-6-carboxylic acid 38401.28 11850.83 2200.43 9349.81 43158.16 6038.35 22603.33 2257.02 34960.45 3548.17 8395.97 12647.76 1445.28 16753.21 40205.44 21099.53 8539.42 24785.63 8533.86 87408.6 11644.76 6598.32 2886.49 7024.96 2448.31 7856.14 4533.67 3617.6 39923.85 4159.24 46341.6 102087.07 7574.64 1412.24 2330.75 23391.04 6471.83 6413.65 1675.81 2038.04 43041.3 113483.15 4023.37 2010.69 69630.03 17460.95 48311.86 16457.87 17789 78799.39 36434.62 39819.21 7322.69 9746.56 17924.59 26848.16 2819.99 1187.67 5658.75 2280.94 2562.94 2218.44 18222.36 6134.23 8504.57 13560.35 26404.23 4837.81 13464.46 3285.94 10433.82 6718.79 1209.6 9439.25 10622.89 20249.06 21486.73 23546.53 21950.43 18945.78 19014.51 19735.36 22423.46 16544.7 Xanthurenic acid 8-methyl ether 283839.86 426407.36 209240.22 112896.08 289279.51 289536.99 120063.57 399227 413048.18 337292.88 253042.33 193041.71 189975.92 152924.87 447871.37 237736.74 188761.32 266311.74 235197.84 246210.08 361344.94 314417.96 262349.27 254235.53 469941.79 410341.64 262168.98 256821.34 412474.68 58564.03 249039.97 164574.27 456451.52 275870.97 268714.33 348030.72 512335.72 413370.61 247699.45 253272.22 386830.62 441370.25 313422.06 239951.9 374299.76 170846.68 349472.68 243591.9 115757.86 250956.69 302122.27 509364.16 296534.27 306535.39 361002.95 503151.82 161733.83 194102.94 496325.17 462506.82 186163.32 188449.53 454102.72 291576.33 237686.06 513140.15 391671.64 212090.26 240765.53 442068.39 474400.32 315209.25 240323.9 270898.48 224481.54 359390.62 364708.1 357376.88 357442.65 358817.99 351865.35 359880.3 357344.59 359926.4 Asiatic acid 562974.56 498840.05 1267400.32 923741.06 878609.94 1495582.13 964751.49 575785.31 598325.3 544399.63 697170.9 883254.73 1547355.15 749423 395973.86 1156226.37 557485.54 308487.48 1050588.33 961097.08 663441.19 637202.17 1065638.49 912581.81 432512.46 572215.13 400538.19 944781.89 520949.79 420446.56 404046.78 731078.12 314070.95 919701.59 700882.59 393818.84 375691.56 474634.02 407420.73 391556.24 268810.26 599696.64 650953.32 710644.79 487238.61 661245.54 530445.25 793671.88 898929.73 684963.88 587497.04 552147.02 1515051.73 1021357.93 598950.2 475149.74 834789.59 638069.35 362010.83 440415.47 594353.88 726070.45 534103.05 782387.25 672112.16 542523.72 475449.19 851062.17 600355.23 585298.51 282115.91 360536.29 565380.52 963796.16 998083.15 730641.15 705421.45 726551.32 726547.55 719789.68 726155.06 726421.93 720233.49 722914.2 4-Acetamidobenzaldehyde 5864.72 57290.31 104318.15 111388.59 1114.06 709825.73 31083.54 8723.13 10740.06 30518.86 7804.71 11379.98 79779.73 20580.16 14654.75 13824.45 40484.53 11095.18 14751.11 13708.64 9276.2 551931.88 38703.48 53734.56 8726.86 53046.2 9076.68 5484.95 15671.8 3354.48 9553.04 6949.9 16103.93 157828.6 20979.66 8007.77 6827.33 565449.16 7419.02 8287.08 8155.2 9717.7 11439.13 16783.35 10498.68 13491.89 10739.94 29685.21 8148.78 9051.98 6132.83 121745.87 18953.61 18455.38 12852.08 35987.64 139483.74 147834.13 7823.54 444638.65 23291.09 80314.53 20873.57 26280.08 15499.51 11149.47 11361.99 9785.63 5895.91 7303.55 10065.28 44666.11 7353.26 60087.26 18342.29 88587.35 89026.38 89800.48 89263.95 89183.33 87370.62 88868.18 89267.97 89588.83 FAA(17:1) 138410.24 70558.67 186740.6 176937.2 140606.22 160082.98 152097.35 131886.86 148562.84 153847.72 157677.76 126313.83 110713.62 146226.24 116718.37 168813.77 155371.76 119516.57 116575.65 118009.73 137963.41 145096.77 169137.55 126484.29 122415.98 149806.25 130023.35 146391.22 116413.64 191909.89 112196.34 141300.39 170782.5 145368.03 158280.47 141996.7 156710.34 166386.33 169439.23 183798.17 140910.94 121517.58 150491.4 194118.05 111133.51 127648 62772.8 142979.68 127550.3 75753.73 136015.76 146931.53 157121.55 142418 128573.08 127895.29 218154.38 146930.23 133664.26 148362.31 184003.23 162346.45 142277.5 103692.02 67881.75 122069.84 112397.47 119897.88 134393.16 141552.79 156723.88 158170.34 159601.78 163577.91 161673.01 154802.27 154842.91 154860.98 153392.61 152214.93 152270.43 153643.49 157860.76 154592.43 1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 30616.83 54200.92 126428.54 47238.61 35906.48 92308.1 41991.24 107337.85 50875.84 31446.35 45321.8 76861.54 88333.83 39031.91 30660.92 58191.27 29892.73 34686.41 21669.17 39796.93 73029.89 25162.96 46683.85 29069.72 87357.22 47738.12 24119.23 50653.06 16803.73 47435.7 44455.81 163512.12 32615.04 47603.21 27177.56 15083.53 97162.83 76367.42 30537.41 26044.81 180113.63 78528.61 83122.43 31502.2 52044.74 48536.63 45178.3 60548.39 40407.43 54519.79 57545.17 13258.8 51579.42 67008.28 41421.53 38399.11 104480.39 33452.34 15407.49 41209.58 62117.45 32742.18 49589.27 51471 12508.74 45733.07 46999.93 42192.08 32472.94 50882.93 7993.24 18365.73 31250.86 57484.53 68475.66 152525.08 140310.83 187506.34 142619.04 126205.68 87528.5 46349.8 141111.47 157643.49 18039.29 15335.46 53927.52 57279.15 126777.45 32539.45 95066.85 43397.23 263922.47 38860.64 129470.09 39799.49 80510.23 134682.25 488665.59 65480.68 68058.75 80636.32 65895.89 68313.33 65437.21 64934.51 69847.89 69474.11 Bufalin 58775.62 58394.93 21269.83 14389.55 92691.26 49842.68 35877.52 22901.87 46268.81 21271.7 36716.74 61959.05 25874.77 31079.49 131897.31 2354.73 6637.79 25981.12 34901.81 57885.39 126305.32 17494.45 30387.71 32181.76 145541.81 92012.1 47118.37 40739.41 49621.4 20455.89 43365.83 64343.3 24638.86 28935.91 5275.92 20444.83 23953.01 25415.54 6176.67 13957.37 37375.4 28719.85 15385 14743.87 47420.23 16199.37 133081.48 123682.28 24510.75 61909.18 68424.94 27037.85 10611.43 35603.89 37045.33 56900.34 11973.62 15404.61 45345.72 17693.72 12582.03 3914.85 29598.41 13644.64 13811.62 42901.54 49799.2 21539.63 25314.69 38551.13 36770.2 21483.18 26650.73 19272.2 4959.1 40580.55 40638.99 39826.02 39837.37 39174.97 40169.89 39785.13 41577.23 40560.47 Corchorifatty acid F 19805.44 8506.12 10936.67 743862.46 2002763.08 2656234.21 3782157.05 33725.76 7001.95 4934.78 9282.46 41436.56 627224.46 5680.37 6037.88 76815.23 12547.39 5368.85 9565.74 3052.38 6991.19 8596.38 10249.79 4870.77 9942.02 8983.86 17644.22 8988.64 37251.03 12978.24 4933.87 33681.34 3859.68 61574.55 16404.69 18334.63 12146.97 45613.65 49735.33 9251.9 892889.4 68710.69 3945.34 3954.54 4141.66 622402.47 8036.13 7116.19 6739.75 18665.25 70146.61 30965.5 18505.92 48805.33 256644.95 8012.95 11272 1036.83 11591.86 56371.29 3903.38 104816.74 15607.83 16794.49 452.26 49576.09 7700.52 10111.65 6647.06 6717.33 5951.58 15853.31 2297.94 13354.41 74878.51 5284.82 6300.32 10176.4 20825.16 16382.1 7340.75 10602.61 5386.5 6822.01 6328.91 5953.79 3629.69 12279.67 5201.92 5007.15 13592.24 9013.92 6215.86 17198.32 10045.88 15379.61 15933.37 13566.11 18639.53 5627.48 269790.57 269470.8 270578.7 270328.74 270597.36 266239.98 270588.86 269484.33 271414.12 alpha-CYANO-3-HYDROXYCINNAMIC ACID 76.89 198.67 1539.29 1718.62 100.35 18249.15 75.2 54.67 105.38 2701.92 211.23 56.93 109.56 247.75 705.86 84.54 162.44 237.67 85.51 157.03 208.57 17727.71 195.68 183.92 170.49 309.56 72.58 289.98 480.13 75.12 324.78 122.72 332.9 1524.94 187.78 170.48 278.7 16029.07 230.99 345.81 80.99 153.66 288.51 112.38 238.74 376.87 131.74 268.77 107.83 192.08 275.51 183.56 139.59 102.9 290.37 110.98 3827.58 4600.41 177.04 15730.63 116.84 188.04 117.64 319.27 164.41 40.38 85.81 172.62 184.24 297.4 128.85 74.44 109.24 442.24 957 2588.79 2537.53 2635.73 2635.68 2635.45 2611.48 2640.4 2611.82 2623.41 AICA ribonucleotide 24970.42 9400.12 20697.58 19522.28 18194.67 24843.82 24743.33 15082.07 44648.14 8966.05 45452.67 48807.19 35124.47 41945.2 10701.13 23514.63 13245.44 57281.27 11427.63 30432.92 20193.07 20651.72 16195.85 21482.31 18102.57 9226.06 14123.64 12716.53 8809.9 5556.13 5967.71 4218.12 3060.96 9206.96 10595.09 4058.66 7184.69 2181.52 12130.97 8250.14 21859.01 5204.67 8236.36 17340.93 22622.99 9108.6 28946.81 30217.13 14463.53 32140.83 13831.64 16614.89 14591.16 26931.12 14201.48 15816.36 18991 11210.22 20702.54 6703.61 17481.64 13823.39 16269.44 14989.86 11969.65 13955.82 8668.91 21741.25 37918.71 18591.1 8961.73 6006.53 22183.47 14614.04 28044.29 21806.53 22375.1 18607.15 13050.86 21878.69 21827.27 21096.59 21444.31 21759.98 16-Phenyl tetranor prostaglandin F2alpha 4475969.7 7301211.05 5708173.58 5495316.65 8091140.63 5701586.25 3597669.86 5507766.53 6796645.22 2574846.39 5031273.94 8436003.76 9065217.24 7685548.63 8403058.88 12226751.42 5566932.45 11183244.83 10669540.86 12891123.11 7330593.41 3779542.21 2919801.94 7265461.32 5648720.87 5162247.92 3072504.8 3296794.73 8509714.73 6367436.4 15976172.64 15647447 2525886.67 2403490.43 5212708.54 6345237.93 4058178.2 1431212.38 1659435.22 5092346.13 11218297.26 9406873.02 7088760.02 4356439.93 10470680.35 4170412.04 7708088.04 7765678.89 3857024.9 22615166.36 2348114.31 6264068.61 6202897.87 10296860.48 7072577.36 8733149.49 5794089.64 5615436.93 3294972.77 3952051.36 4076651.52 1825010.16 6085784.48 5139844.87 5912150.22 9813473.49 13413850.3 4831798.34 7484748.37 6013873.5 4421455.35 4285352.99 5310777.65 8270592.32 6205915.72 7482768.82 7497954.46 7600190.7 7514614 7485380.86 7487602.02 7514743.54 7485778 7514492.89 Minaprine 1796810.57 1742377.35 2872538.16 2322441.76 1789294.94 1756703.07 1726170.63 1839805.07 1942252.81 2228727.65 2120287.66 1691336.03 1610778.22 1860269.16 1394929.27 2602754.62 1759077.24 1510760.99 1798885.72 1293762.62 1744190.12 1846948.08 2508430.76 2143473.46 1880433.7 2063697.99 2024508.06 2020613.4 1653879.1 2363813.98 1376124.89 1674301.7 2170247.48 1866774.87 2326872.62 1831738.97 2219914.58 2108436.32 2321043.14 2485258.2 1395749.31 1762655.89 2216418.55 2571537.83 1672954.95 1619943.53 1663200.35 1869884.99 1875088.25 1713698.45 1697817.3 1931713.96 2039210.93 1829080.96 1768597.87 1659253.55 2741697.59 2083076.35 1609082.98 1977506.91 2602990.6 2190414.11 1902522.05 2135542.34 1770591.32 1723024.24 1483797.5 1742613.59 1956756.13 1950507.36 1991770.22 2227976.61 1979805.42 2039585.94 1810027.13 1989078.26 2000240.23 2014457.55 2000245.05 1991394.15 1992272.61 2000412.78 1994458.7 1997487.79 Aceglutamide 3813.23 2658.42 4837.5 6468.53 5298.79 1235.89 6304.6 5460.35 6290.01 2806.82 10385.59 2098.27 4514.92 4908.27 6447.01 2126.79 12266.1 723.89 2293.56 9243.63 3888.4 4060.43 5235.52 5533.97 6129.1 1883.46 1222.59 1107.55 4679.19 3886.76 6624.86 675.7 2753.3 13036.65 2388.92 3368.06 1641.56 2395.03 14269.54 6582.07 3008.13 4595.87 3421.83 4749.25 2616.4 19515.95 5406.15 1679 5386.57 2968.82 11535.19 1071.89 4051.78 18580.84 4218.8 3625.74 18442.09 11755.84 4042.88 2643.74 6399.63 13011.27 15883.16 12908.13 841.16 1727.18 1652.8 12098.78 8222.69 4869.73 2640.29 876.35 8320.31 11584.27 20076.03 4053.06 3600.77 3338.91 4197.65 3326.79 4065.89 3732.7 4018.61 4589.74 Gangetin 2076.36 25223.52 448.84 596.16 638.08 147138.31 19317.85 482.03 1884.97 357219.66 9595.86 2029.8 1521.15 692.99 999.95 22918.35 385.8 18381.51 1172.42 3792.27 782.86 192309.13 20958.93 583.04 7639.63 42695.46 18244.2 8140.62 10429.09 18179.47 20715.6 20830.71 3792.62 28599.22 10997.48 8703.28 1223.08 173680.75 853.44 508.94 1864.54 15201.2 445.25 12283.93 13124.44 26332.05 22295.21 13533.21 8639.28 4644.13 2748.96 15858.28 472.14 21191.42 11330.8 16418.97 270.28 369.78 1235.17 131790.33 562.18 385.01 13265.21 367.49 439.41 2204.92 20384.44 12254.73 1316.69 20135.14 907.23 122595.36 16848.57 27013.19 22276.74 37671.43 38538.7 38159.59 38669.76 38598.49 39296.53 38656.47 38414.21 38181.19 Glu-His 25781.84 27582.94 26432.65 23265.43 30255.22 29153.01 29777.2 30747.61 30545.67 35919.71 30087.4 18834.44 21209.1 19767.66 33053.41 27238.23 25844.43 30430.93 17980.64 15969.5 26177.51 14985.27 2078.68 24216.03 33406.36 30358.92 27773.25 27263.29 27609.46 15856.35 19658.45 13566.11 26359.16 20090.43 17644.21 19925.59 24191.76 21692.97 14052.39 16821.03 19701.1 2498.44 18502.8 17379.91 22781.01 11169.5 17857.34 18745.2 25398.83 10365.06 24312.05 18132.7 19433.91 19774.62 23485.18 17026.67 26732.82 23082.87 29049.85 19666.69 14994.78 17471.84 23065.8 26273.83 25151.46 18747.17 29142 18609.61 21702.85 27483.23 24992.65 14186.39 22796.08 27522.53 22634.47 11048.98 9124.72 9450.08 11620.09 14555.39 10748.15 11425.56 11202.67 9699.08 10116.8 14298.65 9583.45 14059.01 11763.01 9598.65 12500.77 10531.7 10533.99 12443.27 8684.36 6946.75 6685.12 5904.96 6618.66 5927.47 25704.13 27668.4 24457.24 25715.18 25694.96 24045.51 25487.92 25737.72 25060.69 L-Homocysteic acid 19672 35562.96 448.89 277.34 5338.05 8722.65 313.57 12535.91 11300.4 5268.49 3052.9 594.51 3665.94 2594.78 29975.73 6210.73 3048.14 1984.7 1071.65 1206.67 12202.79 4078.66 1976.07 2761.01 10110.58 10156.93 2386.02 3526.38 3284.88 3040.22 1020.34 577.92 5659.87 467.79 3721.35 3512.5 2323.89 7885.29 1400.53 2272.19 1061.98 20305.3 3403.71 2044.12 3695.05 4213.65 1252.68 267.32 333.02 442.17 13107.47 32228.34 3891.01 3656.24 19566.82 24743.88 1918.63 1572.51 4771.54 6098.96 1686.19 1747.8 19833.88 3914.84 3513.11 32329.83 37365.79 2280.36 3342.55 4328.84 7929.17 1616.16 2188.79 3895.22 2312.68 7598.39 8136.4 7668.61 7399.59 7578.17 7707.58 7708.11 7703.58 7678.45 Tetrahydropapaveroline 54291.57 12623.38 1640.09 5296.68 33192.62 12554.95 5400.65 41602.25 53744.5 15417.17 6544.95 31867.34 1441.37 3681.5 32483.4 16439.69 9150.14 48477.64 14569.41 88414.61 56840.18 12051.02 6290.71 8015.82 17500.8 19237.23 4981.63 28573.44 72756.31 25330.61 77796.89 22778.52 32566.3 1766.42 1208.11 40073.32 20834.45 11447.05 2563.79 12742.61 72785.65 47759.4 3116.28 3796.08 52061.05 14763.9 76642.71 15825.51 37847.94 38347.36 28129.45 4537.06 3418.44 5007.92 20078.77 9966.93 5499.81 3894.05 30924.76 17044.27 2326.07 2462.55 10693.04 9524.94 31397.42 25184.06 20021.04 16323.86 23147.89 37931.15 68780.61 26464.76 21873.38 6565.12 8359.55 26242.51 27689.76 27508.63 27664.92 27656.62 27291.37 27656.97 27142.28 27690.8 Cephalomannine 1613.79 1499.73 1316.75 5104.64 753.95 1812.68 473.46 1709.4 1007.43 984.63 1702.41 812.2 11293.34 2349.02 2910.75 1804.27 525.74 1915.96 2334.24 1088.54 763.57 571.75 3495.67 1445.79 600.33 706.9 1461.16 2630.65 1241.8 1603.32 693.95 625.55 1114.27 4326.39 5626.4 1243.24 2200.08 624.08 4448.97 2824.52 653.16 1916.47 2447.09 1618.97 1681.6 1959.45 396.09 1514.68 1386.95 1225.31 1978.43 2176.43 5437.29 5969.96 4189.66 2609.74 2727.29 2469.2 1246.72 972.75 4379.7 1438.29 3074.66 4159.5 1359.83 1323.36 589.1 648.4 803.79 1077.95 1491.4 599.81 6176.97 6452.04 1600.81 637.01 2486.86 930.54 4439.03 1048.9 1732.48 3744.2 1238.35 685.82 3673.51 1569.98 2017.11 729.5 1347.12 1278.46 2202.95 3665.23 4037.02 1263.98 6522.18 6052.34 2229.96 3262.19 2176.64 2207.38 2174.96 2113.72 2206.71 2210.1 2148.01 2094.36 1739.09 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone 35073.62 56409.14 28336.49 7795.56 8456.81 52070.22 7324.21 11785.08 17624.52 27591.54 10571.46 39613.62 26940.66 43049.42 25106.32 30825.97 26794.87 108640.87 82476.05 67434.85 2621.05 54920.45 32949.45 16442.49 14296.41 25633.95 20170.4 23047.61 31965.21 10318.6 79873.13 86361.48 17722.67 25916.63 14336.98 31105.22 5118.1 12191.48 3748.17 10653.89 24035.19 20559.74 14334.98 12711.49 25998.42 16049.4 46845.49 81426.84 39749.03 112115.52 14934.27 91025.72 12887.19 40363.48 24094.39 84534.18 20391.07 16911.24 4384.34 17244.51 8824.89 6517.8 54111.63 20300.03 32205.79 44162.44 33082.89 13203.96 28540.03 12208.08 9912.34 28964.01 5884.56 23464.39 11776.25 33071.84 36710.81 33408.36 12986.6 33907.68 33181.93 35281.23 36307.81 36538.28 Perillic acid 118609.82 108510.37 153810.57 164195.99 99837.07 130150.74 220285.49 108843.58 135430.72 201514.68 381726.43 226133.38 219378.6 197151.12 159477.35 405377.96 147547.99 115133.27 229304.13 46307.81 95302.77 78492.95 206738.86 189422.7 124215.08 131742.75 270337.4 316159.41 112390.65 32422.79 89034.85 412799.44 118211.7 250901.89 216716.74 118633.18 145690.32 103627.38 209966.24 235036.45 50617.56 228971.42 263999.59 149224.2 109275.22 177568.68 91992.16 291095.2 122100.56 286696.58 89299.92 138336.47 247814.05 242868.35 70003.83 109572.87 90703.39 133378.79 87219.43 61405.25 121524.09 72673.67 73913.77 264226.72 189208.08 100552.27 40623.9 147999.43 158261.88 80052.17 101887.16 172615.06 149677.8 201854.23 193383.93 161172.86 164636.22 177182.73 158399.62 164422.85 164559.98 158408.7 158796.22 158405.83 (R)-dihydrolipoic acid 44724.66 81289.3 4408.95 9321.42 22473.51 6961.08 4102.01 25643.25 41874.93 23727.73 11738.44 19486.06 16875.72 15368.19 44491.89 11224.03 10169.97 37693.87 22026.89 50874.78 47888.22 66303.87 8536.76 12405 15663.56 28119.42 8978.04 27252.65 43329.74 12838.23 44849.82 23118.32 39336.13 6675.42 7582.26 19737.55 9096.8 56890.04 6164.52 6256.62 23533.94 28443.21 10413.55 17155.76 37026.01 2318.68 46712.89 47526.78 20499.91 31058.29 19536.94 52290.27 16589.57 16276.18 16945.19 75976.9 2321.77 14110.71 18512.32 52275.81 4562.91 4292.21 37100.28 5253.71 17353.47 35530.36 148568.9 11065.02 20987.35 12994.07 32348.33 15110.67 9367.21 9446.04 10103.39 35337.43 34321.92 33877.15 35349.83 35301.39 35124.71 33996.47 32978.12 33786.23 Uridine-diphosphate-N-acetylglucosamine 6541.09 34363.63 36757.9 62168.4 11165.27 14777.65 39028.48 8861.46 2880.98 2765.08 17352.12 11569.38 3585.03 16910.59 8476.47 37228.06 71423.99 2969.34 5974.41 9887.16 15318.38 9200.97 8699.85 27197.84 425.93 9284.65 2331.62 2455.11 10179.53 3999.96 602.01 533.38 8859.16 3043.68 2417.77 429.31 8719.52 3187.95 13055.79 10024.16 531.28 1179.1 10073.8 33469.39 5066.78 9406.69 789.87 7173.56 5846.76 380.12 3070.08 11333.59 9998.74 755.05 13159.84 23387.1 163398.24 9848.34 3744.91 14136.33 45019.89 19240.62 11505.68 3129.15 2207.5 15550.77 5335.86 31003.3 43901.4 5378.79 7895.38 8927.68 15694.19 2257.53 16810.21 3484.63 4447.31 2701.77 2962.71 2223.23 4199.87 4541.89 2960.6 4385.55 4170.37 5732.37 5107.6 4048.47 2944.3 4059.28 2902.31 4313.96 4382.53 2342.52 4045.43 3455.33 3848.27 3496.48 4085.6 4118.36 13827.1 13724.17 13678.22 13555.86 13634.38 13163.82 13730.32 13557.36 13600.35 Cardamonin 67167.65 19879.92 1700.05 5928.98 34317.12 17371.17 654.86 84815.63 37619.09 22718.53 5475.42 13846.66 24963.75 1735.65 31816.65 8030.66 3558.34 35942.57 26156.09 56586.99 25199.41 3412.13 2860.85 2987.52 51246.79 44867.07 1241.07 9262.95 52894.29 17499.13 50330.82 19711.32 27079.15 6512.7 1445.33 37345.88 10547.5 10049.78 3082.67 9424.01 85585.13 62940.66 5751.44 5249.18 44050.64 11192.77 39279.85 12606.01 14772.97 35998.76 3887.57 8018.48 1387.1 9941.02 72278.11 31099.03 1911.52 4280.32 8463.94 849.82 2300.07 327 12051.27 10638.26 16399.62 20262.49 20797.47 7631.24 43390.26 84057.04 31302.75 30700.22 16093.75 2095.57 9651.82 41707.34 45380.69 46050.87 41438.37 43524.02 41563.53 51808.11 44004.32 41506.3 Acenocoumarol 21832.82 47792.42 15355.31 1733.38 15198.05 26844.81 16804.45 29281.58 38824.38 20358.44 8705.81 11244.91 8934.78 15100.27 51711.33 6428.28 10018.88 8005.88 2149.9 6369.6 28303.35 22070.11 1048.9 13222.93 36409.49 27588.44 4512.18 4876.01 23267.94 4217.08 10021.7 3874.8 41710.74 6690.04 19181.5 7213.34 66088.21 53910.48 11424.55 16842.73 29995.02 24646.4 18765.86 13996.9 30425.99 13494.9 22041.64 3912.9 19593.12 12848.36 12280.12 43945.88 16940.68 16332.93 42308.3 72122.82 17146.31 17429.71 43584.13 75855.56 9759.43 4491.75 60076.71 19999.21 14413.05 53636.15 36530.63 6603.05 9570.47 46665.19 38895.26 23709.52 13233.94 16096.15 18788.8 32049.68 33763.18 32546.16 34194.06 33214.65 32573.18 33252.2 31910.24 32954.34 Angolensin 195212.32 237598.17 54103.45 56605.21 143016.69 144196.53 60339.41 190174.58 193564.89 189271.82 117200.13 135720.18 89398.81 100336.44 253395.69 102968.43 92079.34 315368.29 216824.01 252443.52 145579.47 174990.6 91439.56 88742.69 220160.72 356069.45 104494.28 76009.2 145680.8 56365.51 238750.81 206920.86 170303.58 19687.65 67483.15 126727.8 184404.94 250425.84 58810.57 90322.29 189807.28 255708.28 96500.6 56822.51 367705.72 128071.51 164640.31 45490.46 128449.28 181965.63 138162.32 141860.28 66897.21 110853.86 271726.54 220934.28 67040.7 48067.95 181449.73 157313.45 69323.55 53948.58 161605.37 124411.73 60746.23 216890.04 215289.89 70523.33 82956.49 155807.65 188574.59 114472.3 85725.86 71449.17 93155.18 168512.72 175257.76 182577.75 171448.26 173200.87 175371.54 176831.16 165114.61 171266 Bucharaine 3655.73 1886.03 7593.31 1456.64 4920.54 3313.12 3656.71 3168.02 2252.2 4043.03 2767.92 8483.55 4339.39 1660.88 3851.6 1732.27 1527.83 5862.46 6968.43 10498.5 4322.75 4616.79 4020.7 4085.92 5705.68 7949.8 2299.42 1785.36 2427.71 14432.33 4198.23 36849.59 2204.22 2753.54 1464.97 1950.06 5648.96 9795.19 1415.95 3388.88 7122.63 4019.86 3575.95 1472.85 2712.21 4479.51 5456.88 4723.2 2464.54 5999.69 4201.27 1408.58 3861.38 3859.91 4036.83 7067.38 4209.61 1331.22 2816.14 3837.07 1348.16 3594.01 4544.37 5302.37 12882.26 2249.38 1057.19 3563.87 3575.44 1741.18 4317.51 1555.22 2533.23 8537.75 3276.68 4675.69 5063.19 5641.46 4493.52 5909.69 5163.37 4435.63 4366.47 4713.41 delta-Tocotrienol 756770.59 407858.23 265939.64 374784.24 1554142.01 334737.76 582715.5 964934.18 406245.01 294941.44 980133.63 677997.09 978752.07 583412.44 481972.13 842120.09 321768.84 401141.24 895952.41 249266.95 714086.34 137077.46 728324.01 653184.16 781351.18 471379.05 681489.62 1056770.94 379918.17 476431.69 334805.92 973382.86 110160.1 229066.47 346931.36 471349.49 450915.05 229800.07 530524.09 468013.37 193273.38 1380305.04 782016 406058.42 506394.25 929057.58 383911.66 372809.54 853872.14 1120155.59 2039197.84 759971.9 497601.8 987485.97 1441464 197813.73 302412.63 169978.11 505503.7 143347.08 602078.77 1101551.96 377233.35 274451.85 389732.19 884586.07 555243.41 595600.98 476427.6 613391.22 151119.4 329641.6 677243.97 509794.29 657713.64 711014.96 671959.5 696931.16 699358.07 690333.88 682029.88 696793.66 694914.13 695253.17 FFA(12:1) 17399.51 29612.19 6204.12 10744.5 24166.35 35563.07 10535.65 27091.06 14322.17 13769.46 15152.47 15980.19 16933.08 5514.32 29380.91 22450.07 12934.81 21918.25 9341.81 34603.4 32600.92 17269.59 9891.67 8698.12 35694.39 36391.96 6098.6 15842.76 36741.1 5750.01 23583.62 11400.01 26101.13 13565.03 12826.83 32054.86 27239.69 26556.81 8106.13 5304.99 29709.77 72760.11 18375.68 12925.87 43249.08 44988 36261.87 11624.94 16095.58 26347.55 12553.31 26799.8 17174.7 19740.16 6861.51 27338.49 9828.88 6588.96 25815.37 21511.99 4561.63 3330.92 4328.75 15834.96 17378.42 21093.34 40729.7 11536.32 12471.83 16684.9 31451 4537.99 13236.59 16470.51 15900.8 20782.22 21847.68 21340.26 20749.62 17020.43 21400.22 21443.66 20750.95 20758.32 3-Hydroxydecanoic acid 1377.52 5783.7 4432.61 3398.03 2280.3 1086.93 2153.1 2015.38 1825.78 6626.15 10668.68 2552.15 6315.59 8088.87 2933.25 3235.11 7082.04 9452.37 10023.54 11189.84 2189.02 1105.58 6285.22 5204.09 1409.16 2850.95 4549.79 4961.54 4153.95 1941.47 7492.77 10029.51 3207.5 3587 5168.51 4448.65 874.16 2596.55 5665.77 2333.48 3301.85 5563.54 9797.41 5610.51 3559.68 2817.48 1219.03 7406.73 9880.23 22300.49 4655.53 8890.88 5316.83 8928.02 1070.14 7782.31 1188.83 1935.5 4781.56 969.36 2301.67 2579.03 2314.15 2636.37 7132.07 1205.12 2172.18 2148.1 7892.69 1339.45 3709.82 2767.19 4115.64 7504.19 6209.58 2211.86 3149.33 2941.82 2905.52 2767.13 2994.78 3089.58 5318.18 4377.47 2879.28 2554.4 3188.8 3207.7 4754.95 2921.44 5261.29 4201.09 3184.65 3309.19 3060.87 3716.12 3996.75 3652.22 3526.13 4351.11 4786.16 5038.55 5046.38 5093.83 5054 4656.69 4653.06 5359.49 4783.89 Nitroxoline 122347.67 489786.22 166929.11 67924.24 233093.73 1114478.35 35317.23 94563.79 150415.56 203630.62 116040.46 44415.79 99931.44 79556.54 353565.96 154168.76 100805.13 179409.27 206867.94 211681.59 209893.93 389572.51 90299.26 95361.92 106138.88 357700.78 53788.22 35006.99 172198.07 515.33 166366.16 66292.54 253995.64 50474.95 41285.49 37993.74 153870.65 326231.73 44125.21 31781.68 27849.13 124643.89 56920.41 40795.99 164968.21 50669.61 132643.16 105890.43 23546.52 97965.11 93267.1 243457.34 54821.27 69091.57 115623.6 305574.39 84072.81 99193.14 93952.25 167067.68 59376.43 38238.52 232319.38 58187.83 95135.94 171015.49 398961.01 31979.09 43134.14 121399.04 131988.41 106919.76 57533.71 74913.3 46447.45 141055.76 136027.42 144340.66 132892.98 144688.3 135742.52 135870.12 135966.37 140555.64 Dibutyl phthalate 13453.74 31657.44 34211.94 16376.06 25191.81 6134.1 27076.5 11619.57 23009.1 22740.57 27378.7 59613.51 39619.27 13747.35 50247.82 47844.43 23603.52 38077.78 44880.75 8678.66 6213.04 3839.12 29083.33 51102.92 27787.01 8530.06 27645.59 28363.52 25626.64 17560.22 11716.79 1851.02 13046.7 9605.69 24358.6 2614.38 11826.52 6143.73 1862.12 54505.63 1957.44 17712.12 37350.6 3544.24 11298.47 30347.69 14144.63 17711.65 9375.16 21321.18 1332.98 14852.11 15967.22 49417.79 18854.55 26255.61 36556.92 23078.15 10959.8 14396.25 14499.28 10809.8 37346.67 40823.37 38101.37 37068.14 7171.31 11936.25 19532.06 15977.97 7142.05 11657.92 24928.99 44291.27 23494.13 22685.2 22444.08 22424.76 20949.26 21780.02 22186.62 22426.59 22386.09 20611.19 Bromopride 247606.27 387214.43 7214.76 21432.97 63339.04 34375.52 2409.02 142345.23 112970.35 57683.97 748.25 60899.5 85825.85 82868.2 388510.19 11784.18 33181.7 104137.76 81567.96 95618.59 154029.43 11374.79 1786.49 4777.16 114253.2 123181.27 3734.39 11328.77 124022.08 599.9 85472.25 53846.39 67981.39 14167.2 6916.61 74183.95 47568.58 46975.77 45085.36 3862.86 109004.83 304498.09 15547.08 15003.18 95625.29 78421.46 97179.99 45077.64 38159.56 94670.01 163779.04 317259.36 9678.14 32030.33 195183.13 363158.48 9452.44 10793.82 56250.42 6693.32 4583.06 3892.77 209588.15 12451.84 18225.47 347361.14 522162.84 5061.64 23221.02 63671.16 99751.5 28382.47 907.41 14518.92 19816.07 9092.06 2453.55 9607.56 11568.28 12893.48 5101.07 11218.89 10586.08 8900.63 6878.15 4728.98 2784.13 9977.23 12124.64 6015.65 11389.39 9127.22 8753.19 11098.86 5275.87 3760.87 10931.19 5271.41 5098.88 12959.04 114595.95 116408.6 116141.52 115344.3 114976.25 112864.37 116112.34 116330.18 115392.39 Sapropterin 341911.55 123040.51 14822.19 23368.9 307756.72 115565.65 60929.38 453918.12 12444.21 163563.37 74624.76 240888.21 84976.76 50272.97 218391.34 152458.58 84738.71 248376.09 195250.62 415565.66 309113.67 18840.54 50142.91 59342.99 349374.5 180472.5 79702.59 193090.5 417229.57 162188.51 437709.95 194726.06 152540.46 17413.28 13325.97 355232.67 234946.11 72405.09 55559.21 62252.64 472616.47 480239.13 4829.71 55047.78 307127.31 34238.21 458412.46 129967.47 212281.06 320285.8 216272.37 9534.15 10312.2 69950.4 171529.4 100544.14 3918.1 27720.83 238780.61 10041.57 16712.94 8787.55 90104.19 11321.58 90788.29 242264.43 219342.97 133754.51 153112.79 141382.33 231486.58 80463.1 26988.63 64344.6 49045.22 200647.15 200493.17 199885.56 199880.23 196647.74 200654.19 199880.64 200657.53 200647.37 beta-D-Galp-(1->3)-D-GalpNAc 3020.66 4364.61 15806.68 21301.42 16723.83 861.85 1351.06 10354.79 7509.32 4883.55 4551.08 9169.61 31527.7 5338.34 4671.96 58259.95 9855.64 7654.51 15627.3 16815.84 30584.34 5687.89 6577.92 18133.32 6355.41 6462.22 638.15 24356.08 15175.87 2968.63 4762.14 3528.82 512.45 34049.94 15263.89 490.58 13472.5 3036.19 12732.75 27242.38 3560.09 10171.96 2862.15 12256.3 8977.44 63131.47 34476.18 2761 1882.15 2399.51 6041.28 15405.18 35801.63 52872.75 11644.59 11081.38 1620.2 690.78 25215.43 44796.49 15807.75 2351.93 5788.05 51863.55 26804.92 55308.54 27401.99 33597.13 40775.58 18989.33 3399 38048.98 9227.96 68453.5 42254.5 31664.99 42629.57 29425.26 35852.88 20811.82 52484.79 51685.48 50437.4 33133.43 40339.15 48489.48 39796.29 43909.18 43412.71 38196.75 38637.04 40145.27 33752.77 27993.48 56421.52 49432.67 47487.59 62119.23 37602.22 47432.02 21378.68 21164.7 22540.46 28951.55 23318.57 21199.45 22203.99 12217.94 23377.19 Alpha-d-xylopyranose 1154.85 676.94 7179.77 332.58 3177.17 1242.04 2412.47 405.74 1880.45 1811.91 6284.43 291.44 2200.41 1209.69 1839.14 7861.53 9384.89 1279 1007.38 698.36 1969.29 833.81 369.81 1342.07 2247.7 1828.47 234.52 979.45 719.23 641.06 1090.56 1600.25 1021.69 5797.93 4128.35 1523.76 3173.83 1455.16 627.46 6214.77 443.73 1753.2 1248.27 1213.16 1266.45 11721.39 647.99 857.6 1252.79 1164.65 839.13 1223.97 10453.92 18890.41 12941.84 2270.93 507.6 13260.83 583.45 3986.61 2253.54 351.69 3477.82 11456.23 5507.72 2610.32 1332.36 259.01 1120.17 1733.14 385.66 512.34 6233.32 21409.07 2106.65 3114.15 1843.62 3712.97 3780.32 4031.7 3586.83 3700.53 3398.18 3697.2 Exalamide 55740.76 43520.39 25401.66 38128.06 74045.08 48097.4 65315.86 49078.27 61219.82 36335.5 51303.02 56805.9 89359.11 52900.22 50259.49 63562.09 25503.04 58858.02 68974.02 9712.28 46562.66 64442.42 44067.51 39102.4 64531.03 59057.25 33337.92 46707.93 98984.71 3805.02 94541.02 141949.71 48151.93 42430.14 31466.59 70296.07 58743.78 26541.82 29450 36274.5 44464.78 92844.82 48810.42 36049.31 64980.6 69611.05 80892.39 49873.69 121065.15 112835.43 61732.64 48347.14 51360.42 79540.53 39291.8 60300.99 35881.58 35312.15 35711.65 12381.6 22485.24 22615.34 69733.08 17515.89 29080.76 55922.67 30600.92 45159.22 43013.14 43198.63 61633.5 62546.62 50097.02 39519.02 42528.73 37820.76 48873.12 50232.05 46661.75 47513.43 47550.27 47542.96 48882.15 50937.71 Norfloxacin 7701.39 8243.73 1890.28 6460.38 10177.65 5811.11 4050.15 19608.71 32024.1 15075.86 22372 20467.68 28291.49 57168.68 58935.94 36429.99 11581.93 16652.4 59126.48 116431.97 78576.16 4167.27 10637.18 24122.04 41171.52 45180.11 8706.01 25956.63 93802.51 56936.28 84579.7 57742.63 42713.51 44367.42 31781.43 88626.85 59641.66 1294.69 38245.67 18316.95 113824.63 153436.02 26182.94 38487.23 80165.71 24474.23 101752.12 41053.1 37596.92 52637.74 37009.65 29624.2 34056.47 43048.89 48647.83 27971.54 3648.46 1500.68 58985.15 12387.83 19506.66 713.22 15521.71 9073.18 6996.88 54624.37 80397.91 35826.57 35523.77 55393.09 56523.98 6179.34 20772.11 2188.42 42289.76 9919.85 10601.98 10790.35 13402.05 15570.21 7306.23 9538.44 11514.16 12366.09 9517.77 8558.73 7148.96 7298.29 11913.42 7676.37 11321.7 9431.62 8816.58 20702.46 11292.08 15988.25 15943.43 18266.03 11961.01 18381.23 31738.58 30830.79 29344.97 30246.61 28960.8 31579.47 30942.92 29192.15 25842.58 2'-O-Methyladenosine 733.34 941.23 344.27 1846.76 1424.48 766.78 1731.17 1879.89 622.88 635.43 405.78 529.75 558.68 653.07 1178.7 1470.4 291.34 2063.74 928.99 671.5 14600.95 901.08 259.42 1461.6 701.66 657.82 398.96 967.64 945.7 763.63 748.25 579.87 695.86 2958.22 1258.24 235.56 1463 355.21 535.89 2481.97 582.05 345.67 2041.6 777.34 673.39 1211.96 818.16 890.51 550.03 360.93 531.96 3518.18 2740.22 2810.77 816.27 285.57 499.65 1078.15 677.38 966.15 976.46 1200.55 3409.36 2857.93 976.55 2487.81 446.74 732.38 358.93 710.72 592.4 599.4 1323.15 715.79 1287.08 912.33 1471.2 1538.83 1411.99 866.44 1684.7 1881.33 1619.34 1734.56 6beta-Naltrexol 6316.92 7721.99 11600.84 14481.68 14092.69 7446.7 13308.38 13980.12 15060.22 10254.18 9798.1 7694.72 6369.74 10953.48 16055.34 12103.18 7086.01 16384.51 9938.26 8389.09 3177.82 4580.73 7312.27 8179.07 25075.79 14074.07 8723.36 7457.73 13891.11 716.16 6590.54 7706.19 13132.12 6435.76 9893.71 7929.1 18168.71 4160.27 7301.03 12510.82 1223.92 2918.49 11093.77 3413.6 7640.86 10756.04 8739.03 5688.06 4573.4 3634.88 3684.58 7929.92 7186.55 23932.5 10974.55 17948.51 10149.9 9734.11 7868 37163.49 5672.86 3067.73 14722.73 13359.27 16665.22 8764.13 3236.01 2716.99 4388.49 12120.7 12719.84 4117.01 11718.24 17123.9 10063.99 9626.06 8624.74 9364.95 9375.58 9360.34 9001.42 9378.69 8902.78 9038.53 Glutamylasparagine 35759.49 25620.23 9135.22 15673.6 38947.39 29521.3 27190.29 31266.24 21823.18 9473.5 768 14524.44 7964.01 5886.86 44485.83 32355.13 19282.52 28496.51 12050.89 23266.94 5916.75 3055.28 1450.29 9533.2 29257.73 23243.25 11549.19 758.56 14697.75 6245.02 6899.16 6284.07 16714.24 528.47 3769.82 5097.91 14025.03 1702.32 538.08 8567.87 13894.74 499.68 13020.32 1852.12 6813.19 6225.8 15262.4 12660.57 2209.02 9716.99 2980.43 3349.65 5785.69 13862.98 17842.4 12948.29 12864.8 11399.98 14947.2 12072.54 7719.35 4250.55 20256.19 11969.53 21722.86 5623.1 676.67 5232.32 8993.69 19645.91 22957.73 2546.93 4978.93 22243.62 15482.35 14488.96 16122.24 14772.02 14358.3 14477.84 14478.82 14769.65 14492.84 14953.75 2',5'-Dichlorobiphenyl-3-ol 13727.95 29005.98 36031.25 19159.02 8215.04 5577.06 9546.14 15917.85 30059.77 3234.13 23233.68 14537.71 4964.91 14412.03 15977.98 20059.62 62699.77 45839.16 2666.6 8015.93 51422.98 14387.77 10785.84 26363.55 11115.82 4234.09 6324.74 2924.39 4614.3 23389.93 6025.12 6869.02 7812.2 5249.78 14835.55 4254.25 10495.01 8815.67 5171.43 11731.74 594.02 487.2 8365.5 17170.86 9279.01 2688.71 13517.14 11848.01 3009.6 546.08 4066.45 16894.23 8253.1 6713.89 9334.66 11393.1 21363.45 34284.12 8728.1 6126.44 24186.06 12788.22 15819.43 35027.76 29648.88 9341.96 5966.1 22589.64 24087.73 10397.41 7207.36 9736.63 13040.45 14976.28 19877.5 19579.36 19574.36 20239.09 20720.63 19462.36 18426.79 19150.5 20360.12 21201.75 Tafluprost acid 305179.36 423190.24 244202.82 133070.95 228376.46 495471.54 187469.3 242693.48 340494.74 317459.74 234325.55 441560.76 426351.47 421348.42 336039.83 162553.54 137715.68 539235.36 354057.72 305697.62 234150.74 210629.44 396233.97 222664.01 181787.76 350430.78 192786.77 183122.46 705454.87 232795.12 497731.59 600379.95 115687.67 298012.78 127457.31 280850.58 194588.34 279305.43 164246.38 82145.97 418512.49 532732.31 138045.72 180910.17 916057.35 296538.13 522126.21 415743.46 291505.59 789116.36 490569.76 533819.82 187397.41 430521.89 208847.34 480552.8 309226.35 165405.23 174168.08 107229.14 128314.96 128378.45 386293.85 129449.57 120355.01 418394.32 734822.12 217753.88 128510.66 190367.87 248108.14 316434.49 132215.92 198689.36 225111.11 325623.07 332598.19 344234.27 345106.52 347888.3 337157.53 347603.78 339846.63 335164.15 Gestrinone 3076.92 4015.73 5321.29 13932.59 4187.17 9677.82 6978.04 9471.09 3833.65 10160.17 16415.13 27678.44 28775.97 20115.29 4295.76 26348.1 13769.73 9144.32 18790.07 3908.92 6129.41 4519.13 18414.71 17711.03 10729.11 6203.78 15033.25 27049.94 8717.64 2020.8 7110.3 49404.99 8511.79 20450.61 20885.24 8628.08 15049.9 7378.88 18755.89 14613.02 4433.47 17593.14 25511.3 18872.57 9936.93 12018.77 4967.82 18323.83 21805.97 41005.48 13266.41 3977.33 29190.09 25308.85 4467.8 5556.4 6445.8 9769.29 6954.48 9766.49 16890.35 10860.95 7503.73 18954.3 14245.63 10818.74 2673.8 21088 47116.52 4569.35 5076.57 17236.23 15563.7 11838.32 19449.47 16544.36 15957.64 14960.66 18326.21 16780.01 14203.02 15774.88 17235.95 16711.04 Zoxazolamine 48929.77 53269.08 17698.7 22528.06 59720.84 57270.27 34734.04 64866.3 82896.6 37516.27 31151.55 70313.13 71520.43 43030.35 54947.42 48429.74 31469.88 80937.91 51267.48 101404.93 57307.82 28967.59 28940.83 24015.46 50166.96 69260.76 23025.14 26683.1 95602 28694.75 93236.51 90167.45 32610.99 22152.45 16489.23 76265.2 42260.33 30175.13 16627.36 16179.56 124229.74 86380.81 27464.46 24037.1 82246.83 30115.8 55210.84 44668.23 35444.11 80964.99 43866.5 47778.14 26214.15 38490.22 31486.22 44854.52 12489.35 10497.65 29389.67 10002.41 13871.48 13652.36 27608.88 17740.68 21347.22 51554.58 66597.97 35936.95 40767.67 42373.46 45911.72 26650.28 17602.77 20434.62 26729.02 43932.55 45353.21 44167.76 44478.63 44492.9 44081.77 44607.96 44077.9 43689.55 L-Thyronine 4198.16 5441.84 2419.86 1549.2 1478.09 2061.25 2095.72 16748.79 517.83 4848.79 3271.72 3378.76 846.54 5089.01 9134.84 2759.5 530.4 4462.36 2765.88 4947.5 5120.96 3031.82 1243.67 2009.72 10276.44 7930.57 9089.52 1985.54 5298.34 2480.68 6054.78 4681.36 7255.91 2052.67 3015.7 4204.68 18089.14 2837.59 6382.92 3612.17 5777.52 14242.55 1605.86 3641.07 8998.21 1791.44 7122.57 3401.55 1176.51 2516.62 9932.76 4111.84 6082.7 9070.1 12591.09 3132.88 1325.66 825.23 11162.94 7982.21 7839.15 1753.36 5617.58 9815.75 1777.99 3477.96 4132.98 647.79 5277.89 3022.54 6510.2 2104.12 2279.87 714.11 5314.79 7428.44 5623.32 4005.77 8902.68 7355.3 8136.26 7654.72 6132.01 5764.9 Edaravone 43937 61690.29 19656.94 13338.94 12170.04 5086.19 11107.19 30566.6 73021.31 24811.21 54451.95 20195.32 20304.98 34151.96 58561.25 24324.76 31924.14 81242.66 34373.18 65037.84 30121.72 40475.62 20241.84 19836.32 27329.76 22635.41 19785.92 12273.59 43740.11 10634.87 58578.9 63195.55 13027.26 14549.53 15321.23 27273.67 24810.33 33076.41 11423.03 8714.09 37669.87 53213.11 11914.84 19129.75 49254.88 23618.99 34482.5 21114.62 20450.18 36907.57 26186.61 41583.12 11735.93 13064.73 20681.6 43450.08 35708.82 1933.33 13326.69 38434.85 5175.29 7168.45 25609.38 9208.17 23493.96 31000.04 71087.85 6914.39 16029.07 13905.52 36685.84 16887.22 10407.46 14303 12309.91 27317.78 27121.23 25908.99 27117.88 26881.99 27091.87 26127.47 28209.99 22646.42 (E)-Ethyl 3-(4-hydroxyphenyl)acrylate 203876.09 379637.55 178103.16 111435.34 133318.42 211050.75 40565.82 114757.98 125937.86 108172.27 63279.9 138850.67 229010.79 176173.36 322616.88 197832.12 187122.49 324242.74 138967.13 263960.07 96345.44 122307.43 64014.18 55949.15 39075.9 119125.39 49645.72 48574.05 240920.45 90260.11 267452.92 553928.05 49946.3 53312.71 55562.91 150533.86 62457.49 80244.37 42796.72 42355.51 333382.44 208617.11 140836.62 71750.52 274483.41 102373.39 256502.18 211054.7 111650.83 330746.47 247029.98 300470.23 147402.59 247046.37 182691.21 282742.98 117979.06 127691.22 40324.18 58101.47 42165.73 33990.38 245749.53 138086.03 190531.9 277135.1 243485.18 66243.63 144759.21 48890.11 90850.27 97557.69 72089.75 96583.99 55084.41 178531.36 178361.73 183071.59 182734.74 172040.85 177356.91 167856.79 180181.84 181208.42 4-Hydroxyisophthalic acid 22215.47 31357.1 20836.56 25325.25 22294.6 58073.73 27532.66 21419.55 38321.47 37364.76 24354.15 45915.65 46601.65 27495.66 18459.92 28476.87 35595.57 57355.23 38635.48 47517.66 22446.99 39567.16 35687.55 23082.35 21828.07 43469.84 24129.97 27522.28 27290.44 19835.37 39582.87 56155.59 19122.53 28706.64 16120.73 23370.13 15143.41 38234.1 18002.61 14687.91 43898.44 40221.91 23878.36 24110.66 41268.98 30121.49 21962.85 27185.37 29701.39 47300.98 13823.47 28232.73 25422.12 30675.3 13606.1 24403.58 14437.22 11398.45 10739.98 17583.55 8837.54 10735.86 15126.39 19213.52 19535.25 22977.13 29156.64 24595.38 20327.07 14750.34 24714.5 27390.41 19080.11 20663.28 24940.92 27372.04 28060.1 28074.66 29294.09 23574.16 28096.67 27386.96 27479.14 27672.57 Alendronic acid 20136.37 18788.63 24353.58 25566.66 19379.24 20447.05 26282.11 15891.58 14412.66 13433.69 19357.02 14663.89 30919.8 16687.63 17396.18 22386.84 20152.38 13543.58 17655.28 14377.93 18923.47 8159.04 23392.99 18726.76 19552.22 11875.81 17736.46 19410.3 18277.32 8073.27 22468.44 15959.56 11779.11 28693.54 30726.1 18725.81 24859.44 18215.78 31146.53 23815.03 14964.47 16777.6 20558.51 24763.47 16907.91 25781.97 18726.44 21468.11 20403.82 24181.12 18821.74 20728.98 19259.94 25173.46 19166.71 19711.84 20873.88 19481.57 12123.69 13016.45 24806.58 25164.64 22608.95 25289.44 17559.85 17037.83 14934.05 19461.19 21360.19 18229.82 12996.04 13733.13 19322.01 20301.66 30165.23 17515.37 17551.06 17365.99 17491.55 17367.77 17181.01 17366.32 17550.83 17551.2 Adenosine-5'-phosphosulfate 2437.44 4246.22 85127.45 95270.23 48360.08 16143.21 51532.59 3309 15035.75 2179.32 3752.62 7992.01 74141.71 5893.51 2348.19 6591.33 2864.68 3248.21 10752.8 8406.33 48858.2 9217.1 11072.91 3842.93 535.89 3138.8 8946.82 3238.88 21076.95 8251.8 6167.74 41047.45 946.31 16090.99 19655.48 1946.13 1009.27 2895.65 6727.14 4752.95 12728.04 6981.3 8751.77 11008.58 3810.85 49627.22 6023.7 695.99 4286.06 8401.87 2007.61 1397.38 12009.76 42198.69 19728.65 2594.28 68613.51 58485.58 578.09 14708.81 3714.94 7887.59 3593.15 14934.92 1913.25 2723.31 45815.35 28466.14 916.71 2602.84 2363.76 9288.33 4189.42 676.68 3631.59 6272.83 6290.66 5669.11 6383.79 6228.35 5788.79 6179.92 6158.34 6141.58 N-Arachidonoyl-L-Serine 82711.44 79419.81 107447.13 97429.62 69302.92 83278.52 77756.3 79908 84577.1 94790.46 101392.8 69683.17 56954.12 78318.81 41595.69 97191.49 88346.58 73489.03 65843.24 59671.03 85376.37 74608.64 93326.21 68885.63 66095.01 83782.56 80439.08 78251.42 64887.18 133352.79 73960.54 79167.44 113046.94 87509.88 86839.13 76828.28 105164.38 108055.19 96914.17 111376.95 89054.96 72176.2 82119.26 116431.4 69511.42 68958.76 66097.44 86109.15 76866.31 75002.01 82946.32 92719.32 88060.64 86038.79 82787.04 69147.78 112993.13 90599.46 76707.15 91032.57 108302.21 92981.28 91771.63 99472.93 85246.04 60906.14 64883.22 68350.65 76874.11 88930.76 98797.22 96303.54 93302.66 96752.72 112855.33 4893.78 3598.68 7044.4 9776.45 10155.61 3177.59 5632.9 2319.23 2906.21 11556.08 5999.66 1235.89 9239.78 1547.35 1935.4 2573.05 5660.54 12480.65 6592.03 3826.47 5412.96 7687.44 3441.08 5247.48 6611.76 87207.64 91199.43 90357.05 91197.06 90337.94 89670.92 92552.53 91192.7 90763.88 3-O-Feruloylquinic acid 2884.07 19623.67 49066.27 11062.94 1864.31 651980.21 54558.97 5697.92 4324.85 4652.88 20885.85 2858.63 16919.52 26916.52 76134.88 8794.72 35103.5 1986.14 8749.51 3145.68 5686.45 1510174.85 12161.35 44239.84 8690.32 1957.17 45957.66 25712.29 5240.55 15036.86 2631.25 6974.17 8988.12 62862.28 41659.2 14772.15 21617.13 734287.96 49116.35 45296.38 11324.89 4449.19 51204.34 43807.01 10161.26 12100.39 8341.59 12813.57 10976.71 15928.03 8325.4 30872.39 44860.01 42482.85 27609.13 48124.15 77030.14 90062.1 5658.67 388984.66 58754.6 41498.89 29306.55 49860.5 37539.69 2669.58 63273.67 33158.69 41629.67 20383.39 10681.96 28820.91 21734.57 44078.69 60041.9 2692.2 2279.12 11956.45 10884.4 7445.3 16677.04 22233.95 1309.7 10489.71 10099.54 13862.33 7341.2 9416.83 841.35 10549.87 12282.79 9270.53 11710.51 25067.18 15433.27 8334.96 53144.43 19338.55 12403.06 14527.08 10259.06 10928.42 8189.97 13147.41 12952.09 12275.37 10019.96 Tiapride 131281.02 188279.83 146846.59 163477.53 7649.92 207757.75 128599.09 28868.49 157385.31 135739.01 130128.29 329165.06 368209.53 232992.04 156721.94 188125.42 153246.18 216266.38 335500.2 355843.66 33987.49 104289.72 141911.92 148989.26 22685.43 151818.39 96517.22 133160.42 285938.96 208626.66 373710.4 493316.99 83243.57 139260.25 90548.61 151103.27 13902.32 118921.4 110162.51 75978.89 431168.85 387327.78 130542.67 110050.45 347309.02 286594.06 181646.76 195817.83 209933.1 473947.28 183207.98 178251.42 115974.03 224240.48 81847.92 196198.58 89815.49 70900.52 7178.87 34673.62 54949.22 54270.75 125694.39 117099.85 140199.26 172845.05 252936.14 152098.09 147930.96 37234.27 107225.27 114828.21 97572.88 150701.4 153128.08 191486.31 195973.79 190075.5 191527.65 190052.84 191482.53 191506.82 190048.71 190101.69 5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol 10723.31 3378.05 4516.95 3768.77 3697.85 11078.51 1652.63 10957.23 7124.87 15188.69 3499.63 13839.81 12606.24 7583.94 6294.18 2512.91 4310.5 3283.88 5687.2 6401.18 5676.28 2872.85 5743.44 6674.41 8100.84 11095.87 3601.22 6283.14 7718.02 3025.94 4812.01 4612.17 5195.55 3296.63 3031.91 4880.77 6891.01 5991.66 2415.25 4868.12 6668.42 9784.47 1697.25 2889.03 5320.93 4149.91 5191.82 5562.31 6840.21 3298.12 7010.9 2531.61 5132.33 3999.94 4965.44 4286.08 3320.08 2378.18 4037.68 4739.71 2579.85 5037.21 6584.88 5776.52 3985.14 8127.7 6431.03 7917.51 3656.18 9704.16 7912.01 9215.67 4421.11 3670.21 6228.28 7230.41 7820.53 7613.25 7144.5 7234.17 7337.21 7336.87 7230.99 7228.45 7-Hydroxyflavone 20458.18 2497.93 2795.11 5785.09 23743.19 15358.25 743.67 41457.51 67839.99 8792.07 10044.61 58990.6 1306.06 10907.3 6305.99 20121.58 12535.91 27062.13 11155.46 71255.36 37475.17 667.94 3421.43 2805.48 38793.73 12819.4 13369.08 37640.36 50530.79 45094.61 100434.24 30010.88 20897.95 3767.46 3857.54 45178.92 27693.02 9914.84 8816.69 14999.27 43233.89 38496.62 3894.06 9186.22 38749.3 5232.06 63598.72 20384.69 33210.47 49447.47 14728.29 3345.18 5870.02 8455.35 11569.18 797.74 2953.99 1322.49 26827.6 5990.1 4637.11 2617.17 871.49 7806.86 16811.61 24439.05 28593.18 38355.63 41028.31 25374.27 19253.83 28480.89 49637.94 3267.73 4031.3 26377.9 27593.29 26416.71 20873.67 26343.29 27048.99 27597.46 27586.93 27794.1 Flunixin 31765.8 30717.36 2525.49 19634.81 28898.97 1521.73 24865.61 35706.11 34090.36 20839.54 13568.4 17361.67 15239.09 15876.13 29159.09 39854.89 40997.36 29672.84 66631.18 1570.46 13922.48 7041.59 7689.22 14694.72 45119.72 37726.01 17886.34 9412.47 14666.96 8903.24 25819.64 16876.76 2648.72 700.97 1796.46 21657.82 29418.3 7764.92 927.47 2821.13 511.34 3250.94 4981.15 6661.16 25727.96 17977.38 27038.05 10260.72 18122.54 24767.98 15307.69 9414.87 9517.93 13522.84 21147.21 32814.11 22408.82 9011.11 27260.23 4684.15 5528.84 5868.37 10336.66 3222.06 1352.27 20147 3015.16 26995.92 28394.56 31572.59 14580.59 15434.55 13821.3 13823.39 9970.51 17758.86 17759.05 17611.39 17735.96 17761.13 16909.46 17630.6 17610.07 17583.86 Fenaminosulf 16416.35 13473.66 4640.42 6452.03 17976.31 19722.16 10669.96 16378.18 26350.66 11140.47 6495.22 17475.96 10527.47 7218.81 9175.74 10509.63 3833.88 21170.46 17733.72 28924.09 17775.66 20583.01 12699.43 5517.27 13603.28 15236.98 4391.54 6792.5 17890.08 5442.35 34522.97 9803.28 5457.75 4319.94 2377.76 13838.58 11995.21 2702.42 2190.62 2095.94 19048.38 16535.07 3421.46 2294.96 22755.29 10792.15 19609.02 10789.32 9838.81 15988.32 3987.84 6655.4 2422.36 8107.79 2012.23 10260.41 3595.39 1068.21 7838.64 1685.66 910.99 1454.52 2989.46 2381.38 3056.29 13965.19 19326.39 4088.46 8503.14 5186.35 18130.76 4739.81 2507.59 3630.98 6990.17 10161.94 9632.6 10172.83 8196.12 10367.22 9475.1 10179.36 10195.27 10261.02 Cystathionine 19689.22 24444.69 9299.34 8417.98 12912.09 29016.71 2557.55 22010.27 24005.61 15176.17 5162.66 8614.75 6875.7 11903.24 21083.28 7579.38 1451.98 30832.65 14944.78 34814.54 26184.2 36163.9 4892.66 7559.69 13071.65 22810.29 4980.16 4963.38 23846.18 8462.02 40059.55 15518.31 13177.59 6773.05 4164.52 18305.31 9599.12 16084.18 3391.63 5640.55 16670.93 15110.37 1706.89 4885.77 31302.96 13367.16 33098.44 11654.87 9266.41 25822.17 12071.22 19010.6 8907.68 2813.34 1857.42 15125.93 3812.27 5053.29 13916.3 8192.51 3696.02 1611.15 18407.93 4867.12 5525.3 18134.61 29472.95 3631.41 6819.08 13463.48 22834.03 8524.12 1950.93 5574.36 5520.11 14003.55 14572.5 16447.79 14155.79 13960.32 13967.47 14654.98 14695.95 14072.83 1-deoxy-D-xylulose 5-phosphate 3461.48 6214.9 3043.33 8705.54 993.58 1292.11 551.84 603.41 5238.15 561.94 5860.29 3047.46 4682.17 4048.42 608.27 1201.81 2100.67 8997.92 882.39 606.21 5554.1 6521.27 655.11 679.63 5184.09 7307.93 3473.62 5185.09 9369.59 4179.73 13297.5 9170.71 6842.97 11788.6 11587.51 7152.62 10627.98 9057.26 16219.97 12152.44 9458.8 14258.64 14695.64 15734.75 10656.53 12909.7 10178.98 10780.46 9990.86 18624.69 17133.8 18858.44 16299.6 19226.12 12764.87 12333.36 1220.46 10284.45 8134.29 12644.58 19920.52 17505.83 15135.28 14905.13 11550.86 11729.21 11010.47 10943.94 12849.59 15709.13 10211.68 13096.1 15309.3 13499.7 20378.69 12251.69 12257.52 12614.74 12388.71 12616.68 12446.95 12310.62 12636.44 12476.29 Lestaurtinib 8331 2636.29 2249.21 1308.19 1690.44 358.9 4915.24 260.92 832.3 568.52 387.61 959.71 1517.66 2223.15 22845.45 367.94 1108.59 2605.18 310.55 3566.33 1469.74 831.87 4965.82 870.51 2273.52 8318.4 428.45 1179.45 2853.67 2951.99 805.5 7205.42 1518.41 473.5 2402.83 1234.59 1463.89 1355.94 430.95 309.87 357.28 8957.73 2217.81 1797.22 3891.09 1193.56 3572.75 1049.19 316.68 2117.63 8649.69 18518.94 1106.47 1451.52 11402.46 11697.79 7079.76 409.63 888.71 228.48 282.72 2401.05 19740.68 493.14 1074.61 18301.67 17308.56 1625.24 1326.49 1807.59 853.79 3235.09 283.06 3483.04 539.61 4004.99 4131.32 3576.53 4096.98 3708.73 3803.08 3544.12 3729.57 3984.32 N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide 10178.79 12291.94 89717.15 21576.21 18750.07 6642.06 26079.42 14606.45 19440.37 11625.69 24929.06 6260.04 12470.13 11834.69 18214.19 98523.13 157594.98 19362.26 13905.97 7540.35 10789.29 1406.79 11182.59 8118.55 19212.92 30396.71 8119.2 3410.62 6518.62 16461.85 9997.69 5829.22 1756.56 4379.71 5238.39 5357.18 12989.59 10968.17 4340.4 6440.17 4576.76 1320.47 12805.86 7026.45 11817.24 23258.42 17194.61 8297.03 6152.53 19114.62 7954.03 8620.76 19596.46 41826.43 11631.39 17287.1 115840.29 35809.31 15995.64 8673.1 14505.21 10090.95 18808.03 39372.22 13367.7 9659.71 1433.33 14197.26 19458.84 13306.36 9115.39 12550.99 16440.77 46905.84 35423.62 19495.65 19620.55 19643.82 19621.95 19244.7 19089.7 19565.57 19273.07 19757.62 Sulfamethoxypyridazine 10248.51 1957.57 2294.01 2155.03 2408.33 10673.12 2781.3 9608.96 9214.03 1491.37 5364.54 5217.77 6231.49 2338.02 5521.36 616.8 2017.16 11218.84 1004.67 1938.92 6828.72 1952.39 2208.33 2169.82 10774.56 504.03 581.44 1457.24 1063.61 1647.2 1672.68 1300.46 525.79 1608.71 1864.33 2868 3079.45 1001.36 638.49 2321.83 3007.45 6494.58 1696.98 408.48 3052.82 3552.34 1152.29 595.81 997.23 2025.71 3071.59 855.03 804.87 1506.65 1113.55 1929.61 362.98 2221.92 3713.86 2251.57 2430.27 2227.18 577.73 2315.03 1880.41 5893.84 1391.84 1542.96 823.04 3063.5 1092.43 1315.85 1698.8 1966.76 1435.65 2655.92 2972.66 2738.13 2699.26 2550.04 2366.8 2554.65 803.86 2385.02 [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 20313.88 4053.26 370.63 1089 30676.3 437.28 14039.48 78984.18 58411.88 10001.66 2489.68 17718 3060.3 2296.4 15922.27 16561.17 1520.85 30163.24 1118.77 63463.98 44125.07 1716.89 4729.93 2071.39 46893.58 21498.4 3004.18 3068.01 79730.38 13604.4 58043.97 3827.73 20510.51 1201.01 3145.38 41349.9 26257.78 7107.05 501.6 2944.7 1985.49 7579.11 713.77 1058.75 13477.79 15933.21 40309.99 17355.2 10068.6 12846.15 23088.16 5371.78 1468.87 7336.84 7849.16 3492.78 619.55 390.28 29148.98 416.04 1062.24 1095.06 1407.89 676.5 706.53 20402.77 1503.58 7559.8 3145.01 37313.37 36965.66 3040.7 2526.84 3073 12946.27 9695.94 10205.3 10234.72 10102.25 9672.11 9852.79 10294.34 8061.62 10694.26 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-benzopyran-1-one 161325.93 152717.13 38324.39 37791.8 220086.51 114485.37 59478.96 292446.06 429612.54 120379.32 83252.52 169554.77 67804.35 75552.48 223218.09 167561.88 70749.59 276807.8 91924.66 578432.88 258740.28 95129.07 64545.94 67146.1 220227.73 239120.58 53961.5 78601.66 230450.85 219657.71 288313.13 144974.1 159064.56 77165.94 72595.81 267441.33 140180.54 90693.14 57773.63 43818.16 244295.98 182597.4 50761.94 43118.73 144999.15 69225.59 266346.12 108922.01 179170.96 184753.91 113376.37 114578.77 47279.51 81228.04 69228.14 82043.16 35298.13 30188.88 141499.2 59886.13 26133.77 31916.64 78246.03 95630.8 99346.25 113352.21 234860.63 78909.72 100947.8 275149.36 296178.19 113780.51 125522.39 55918.95 76699.03 168586.86 168713.16 169975.41 194864.57 160202.84 154673.27 159772.12 156033.44 164605.09 3,4,5-Trimethoxyphenol 2836.32 25619.99 10977.06 14206.2 946.57 874.24 1631.86 790.45 1786.56 10704.52 7615.55 3377.73 8366.39 6870.12 9666.46 7698.23 5353.44 7609.44 17119.97 1536.14 1996.41 617.18 9985.83 1311.49 6145.98 749.48 7489.73 4850.34 1634.35 3236.23 10076.72 1365.49 1244.97 3373.6 2609.69 1490.89 2702.79 593.44 5079.88 482.01 4499.15 1143.56 738.91 6298.14 997.28 12199.85 5390.68 1599.18 4582.17 1144.96 634.28 5013.97 5165.36 615.61 6610.24 31564.41 9891.34 520.23 1898.59 4791.56 6403.28 1310.31 4187.3 961.69 647.5 4485.58 838.88 10820.86 5616.29 715.48 1381.06 7248.9 3505 984.82 10591.81 4357.3 4172.76 4251.32 4513.25 4680.04 5256.43 4281.18 4213.8 4647.73 Prostratin 45855.2 18049.06 12036.45 11640.75 53327.76 60888.36 10996.7 70322.49 3241.17 60335.35 21695.86 41694.94 8573.79 9106.42 47733.07 36379.23 18324.69 186281.23 79931.47 53103.35 57257.73 62950.36 70608.57 26892.14 41400.91 10749.47 24300.01 10401.58 63487.29 34096.81 50894.96 169092.93 97211.02 44611.49 14161.2 155176.92 86901.28 71908.06 32583.55 14147.18 24530.74 193005.23 27081.57 29640.01 67621.5 33343.41 4823.62 41810.94 94472.88 21052.89 105464.47 67682.63 32163.98 23379.04 156238 21532.8 13368.6 8810.12 130821.78 14134.19 4924.4 23880.08 54835.88 129528.25 15097.34 9049.97 37435.17 21433.79 23482.44 26708.38 22149.88 8711.27 44399.37 12758.58 23776.18 42102.92 42644.63 42424.66 42656.39 40741.6 41096.35 43783.07 46778.64 40848.43 Kainic acid 14636.69 1677.39 4474.01 4524.93 32738.21 2209.86 5021.57 19646.06 36442.42 8323.59 10032.29 29791.91 9043.85 12694.58 4990.25 21549.63 3503.1 20059.14 7165.9 6584.01 23279.2 11521.11 2495.02 3873.74 18945.19 28754.3 16173.11 13517.15 33913.63 6829.64 14999.23 22010.69 3909.26 5114.73 2024.99 22406.75 12130.4 9343.9 4858.19 3831.59 19099.58 27827.41 2032.36 6336.32 36365.06 7385.57 37187.81 16047.54 15125.54 23243.73 15770.82 8161.33 1617.92 12731.33 7963.95 2301.53 461.57 2752.3 11075.97 4786.54 3509.27 511.06 1362.93 5527.55 6703.41 19764.66 3849.84 9837.69 16087.68 11477.65 4463.94 564.3 6844.61 5775.08 1951 14386.18 14379.65 12658.28 14124.44 14066.97 14074.59 14269.58 14350.55 15001.89 Prednisolone acetate 10979.99 26513.97 502.79 3728.19 2314.33 37586.18 768.23 4691.36 6231.35 7582.08 1139.45 3571.68 5362.56 1596.46 39150.14 1708.18 6820.43 6549.71 1192.38 29337.14 7313.35 35400.16 3010.33 340.79 2911.96 30979.28 893.47 2493.73 812.56 428.91 1141.8 5334.89 47042.98 4516.34 978.04 792.19 7786.84 32754.71 596.18 381.66 4836.21 14542.82 293.49 654.76 834.56 443.8 3875.88 3327.98 997.72 1993.31 8879.58 15122.57 462.24 2832.52 7517.67 24754.97 1011.85 1059.61 14503.76 19779.91 1181.53 1545.68 21102.02 1514.07 1208.78 10379.62 50957.23 1878.77 588.19 7663.73 29270.96 298.07 2010.31 3270.94 2843.81 12735.23 12739.65 12390.6 12444.28 12740.89 12719.95 13130.95 12571.43 12742.86 L-Naspa 20652.89 34090.12 30547.02 14387.11 19774.03 75205.19 3895.38 20065.41 15042.7 11054.56 14187.35 15811.68 19959.08 9286.65 57614.08 10111.26 12019 30018.53 21795.81 24264.26 11206 5438.01 7244.6 11652.3 17561.66 22451.92 8904.3 11439.77 19518.17 7900.91 10578.31 5077.23 31549.66 25733.08 14735.62 18834.54 11686.48 18638.02 6801.99 12424.38 13343.4 22670.72 12921.25 19374.81 17113.62 16036.38 17453.22 8899.49 15028.35 28161.11 11831.1 25095.86 12936.3 21616.28 22876.17 30951.31 30492.72 16887.95 9549.89 15101.76 11540.91 5623.81 28034.48 21543.53 23170.42 16242.61 29249.22 7642.96 9765.24 23607.71 24046.52 18082.53 21947.25 26191.53 16537.63 20899.6 20209.14 20915.85 20903.57 19533.67 20107.36 21034.82 20957.46 20150 dl-Alanyl-dl-leucine 12336.44 7526.2 22770.22 27378.08 23835.89 3317.7 23402.83 4734.71 638.61 9392.18 8815.98 16309.36 73957.23 24558.11 5831.29 7753.48 3219.37 6460.73 5648.02 3971.13 1959.63 5991.18 19493.77 13137.41 6732.69 4750.45 8879.82 9458.07 17688 5607.07 1832.4 7188.43 717.94 14922.4 10290.74 8189.49 4501.79 4508.18 8253.83 6981.19 3612.08 7638.25 10391.86 11370.16 7697.95 16302.82 3200.32 4931.01 8851.34 10854.45 3817.8 10260.1 10588.99 27698.39 10081.59 12541.84 15434.25 8814.18 2564.63 11734.13 6591.97 18485.07 6641.16 11679.11 6167.68 11921.96 5675.1 10634.96 8233.2 2706.25 3795.76 3855.99 5322.82 16707.09 21269.81 10520.87 10580.59 10460.61 10475.46 10884.92 10486.39 10290.26 10538.35 10576.94 Cycloxydim 15699 13486.12 20114.49 9805.63 22015.67 18179.6 33477.18 19967.76 24146.71 27529.33 36207.81 42990.12 33975 28363.4 16887.62 39782.49 23203.51 15396.81 52651.07 23251.95 22992.06 17438.96 42219.54 34975.86 22847.41 24833.56 36084.89 38147.52 17293.08 20338.56 20340.72 47172.09 15106.19 33988.94 28187.98 15839.81 19082.41 11632.94 26794.25 22599.06 16880.13 28482.6 35373.44 19344.81 18541.72 21485.15 19740.62 36438.42 29517.45 51623.97 17867.3 17138.44 28706.86 29689.15 11162.27 16072.32 17300.75 13391.13 17087.3 6403.97 18330.93 22454.24 12107.06 28473.89 28608.09 19036.81 24700.36 30254.38 28643.77 16757.98 17024.9 29687.22 28628.39 28914.93 29684.74 25934.2 25932.15 26078.46 26043.06 26080.12 25470.2 26018.79 26081.17 26099.73 3-Mercaptopyruvic acid 3708.66 1423.37 12197.14 9086.34 6428.63 3690.66 20335.84 6379.07 4691.21 11719.33 7891.46 16178.17 19353.93 10917.94 4687.27 19826.99 9134.5 5171.9 16270.05 10448.34 13166.45 5035.69 14514.47 7792.49 5129.8 2401.13 7260.11 9666.48 3381.19 3215.54 4225.64 10248.92 3137.45 7925.41 6084.94 3958.88 3024.49 1141.08 3674.38 8050.76 1898.59 3093.9 10731.76 3956.19 7654.15 8840.79 3194.14 18751.66 6241.51 9656.29 928.21 2188.08 7286.32 6921.3 1187.12 2727.12 11489.89 3180.48 2399.53 509.37 3796.06 6927.99 1365.27 5657.42 15919.26 1741.4 3816.76 6699.3 16375.9 2126.13 2167.17 4559.51 2047.61 4276.87 6885.41 9103.47 9398.94 9388.5 9142.54 8633.94 9012.86 9601.64 8811.22 8703.57 (S)-Mevalonic acid-5-pyrophosphate 10301.03 74054.83 12145.64 23994.08 10075.37 4653.69 26467.32 10746.59 17495.74 742.14 19325.02 22110.1 20006.84 11858.47 51756.63 38689.2 234792.9 14029.08 40348.16 24797.06 1951.41 12737.94 6162.16 9886.26 4526.59 19282.84 5999.52 9276.92 17715.62 17922.64 22804.33 23194.79 2241.19 413.91 17399.47 3180.05 4195.64 17945.88 3857.03 9134.71 1668.71 1253.39 3378.01 8511.71 5169.26 11627.85 14052.42 30299.66 1847.15 19636.6 843.46 7416.65 14792.06 15773.57 13789.31 33466.54 154799.05 24015.29 7392.31 9915.64 32827.01 14278.46 8214.64 2359.79 8617.19 6536.2 2056.02 24104.99 78768.21 6583.76 4978.46 12532.05 531.34 4097.44 26734.78 18113.71 18099.43 18003.13 18097.31 18000.58 18001.62 17794.95 18002.84 18111.21 Hippuric acid, o-methoxy-, methyl ester 111014.59 91528.03 94467.19 296995.25 275288.39 45475.94 350533.75 237493.69 274601.06 222274.64 423466.57 542399.53 525252.39 58305.58 204901.86 255807.45 122443.11 257202.69 128439.13 73113.87 194283.13 53827.78 117033.47 110189.96 265738.73 204996.64 280335.21 539610.65 191825.78 652003.18 133257.74 290190.96 82792.61 669039.7 678266.49 184197.12 244083.04 195405.72 129917.87 790323.99 125521.85 188990.05 473835.15 13327.21 283123.54 675629.51 255807.07 132975.05 239935.72 269107.94 426708.39 230473.47 781632.09 1406906.8 787252.13 53881.53 38978.88 357147.25 250670.48 431845.29 44409.9 83942.54 307780.47 1241214.2 320445.42 719389.88 201331.59 68829.46 75476.58 162620.15 176017.81 95208.32 484344.46 822016.25 346370.55 348146.33 348174.44 353914.78 352674.59 348345.78 352419.91 352677.97 352780.97 352805.4 Val-Asp 59810.53 110407.42 54607.36 56308.38 31174.29 47860.92 18122.62 52084.6 176408.29 96490.11 73035.5 27619.61 41925.13 49756.06 78150.48 75216.29 66711.3 80339.83 44243.1 52313.78 46207 71143.79 37898.96 54355.65 69574.48 157365.36 101084.46 41759.21 40141.94 69308.36 23264.35 36819.18 1355.33 20107.48 29719.29 44154.62 137662.8 61043.07 37133.43 104037.98 31473.54 33676.79 45405.51 38500.44 55607.39 24128.19 36532.63 63112.03 29860.69 71603.18 28120.47 71751.7 26644.56 37589.79 69425.04 106619.85 56846.94 37209.81 43521.67 18404.68 23513.07 12967.26 96587.41 101179.46 65686.98 88683.52 73127.79 61148.18 70270.26 110871 87717.99 112854.55 58912.08 62060.41 72494.11 169606.09 97539.28 105830.91 97599.33 143920.57 91280.54 109174.65 100415.72 149814.28 99510.99 149362.45 56269.0 98599.32 104867.8 152323.31 158388.33 90463.84 151769.33 101439.44 192576.48 197822.4 119763.94 223267.37 117404.95 113260.02 62206.44 64960.75 61243 61141.46 61284.84 56537.65 62866.6 61341.42 63133.02 7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid 193.54 778.31 1748.45 8158.38 71902.53 58236.33 34833.21 225.63 43.12 1243.16 28.19 464.61 7452.31 1329.74 75.05 3571.88 510.92 1353.02 24.02 1204.08 210.5 39.13 1545.73 1292.41 128.87 105.1 39.21 1445.63 101.65 100.77 611.28 260.83 52.74 33.31 20.12 37.22 1298.81 287.85 40.58 1332 31479.73 3399.78 1407.14 34.12 24.11 4355.64 125.36 42.81 42.81 52.88 368.07 1107.68 58.16 560.02 746.26 20.78 2629.53 1422.72 278.41 635.52 28.98 93.96 33.51 77.63 30.84 357.8 987.7 24.9 1432.77 26.88 912.28 61.85 1445.43 58.08 329.06 31945.0 23364.99 34352.33 15447.2 32691.29 29881.46 44946.89 32567.45 29633.04 27600.06 28979.0 26740.24 10258.37 27038.96 26656.07 34682.16 35767.75 36453.09 31834.26 15423.6 36138.71 633.84 19798.65 41160.36 24250.39 12308.19 12239.89 12309.86 12196.68 12212.74 11825.89 12089.48 12197.32 12600.82 1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one 2629428.71 2793889.51 2998522.14 3285002.46 2288193.24 2287400.16 2308010.36 2715592.28 2656544.83 3297873.91 3028896.89 2434967.67 2086586.38 2720330.05 1832971.04 2689137.69 2582683.77 2224430.3 2262940.72 1580695.85 2293631.19 2223014.89 2923218.48 2923275.58 2812802.01 3077179.79 2870227.06 2982948.14 1922461.58 3590314.63 1650712.58 2216881.55 3497703.03 2470719.31 2987712.19 2150767.96 3523376.7 3219364.66 3341301.03 3683134.65 2365937.38 2076745.56 2407801.67 3035100.1 2160449.49 2067164.1 2083019.24 3053610.05 2517054.43 1887531.94 2592552.59 2599001.58 2362345.14 2376572.75 2604214.07 2424642.58 3806885.73 2983592.73 2093093.72 2481084.45 3584854.84 2522915.27 3077335.95 3043959.72 2228198.69 2405325.27 2215844.29 2669775.89 2904050.41 2958028.08 2483161.25 2577959.56 2971471.92 2834404.69 2459686.73 1704.02 6746.92 1495.72 1885.59 1259.64 4666.1 1843.95 3999.65 1940.24 1232.92 1096.58 1343.14 3284.78 3148.62 2270.61 6543.35 6508.01 3450.65 3680.6 1503.01 5942.23 3678.55 4248.37 4447.97 5306.85 2811836.78 2866763.37 2812323.48 2811843.98 2834458.81 2829544.22 2834991.83 2830832.98 2821828.79 Garcinone C 14368.12 8972.48 1174.57 2573.37 7264.56 9231.93 5820.81 7494.7 17682.34 20576.36 4709.65 4376.7 5251.97 7259.63 3879.75 4163.83 5345.52 6808.93 4862.23 9173.2 7867.08 6574.04 7089.92 8289.31 8040.68 28719.41 8254.44 8962.24 17634.44 6899 34603.19 18051.47 23021.79 12091.76 3778.16 10367.18 3635.41 35122.75 8500.05 3276.85 20031.13 32807.61 10010.67 3671.79 47506.69 9214.48 2861.73 4686.55 2936.11 1611.61 12629.47 17134.8 8337.74 2795.94 4985.36 9565.32 482.31 1434.14 8025.25 14725.64 1380.88 2129.61 3680.44 4843.25 7036.86 10251.73 23236.64 2259.29 2255.63 7996.48 28392.07 23774.21 7695.26 6857.73 7246.63 8921.02 9311.95 9938.88 10061.63 6926.6 8458.93 8919.89 9277.08 8889.68 N-methyl-L-glutamic Acid 2744.37 2780.71 3834.22 3777.67 3230.67 1386.04 6188.23 3970.99 3947.85 4464.77 6431.84 7986.49 7492.07 5059.41 3001.78 7252.74 4219.52 3039.61 9205.75 5901.26 3740.67 3323.12 6360.26 5673.25 3792.59 4434.21 5952.95 6313.09 5231.88 2711.69 6363.8 11199.01 3078.21 7101.07 5229.67 3638.07 3662.23 2114.68 5231.03 4531.61 4210.07 5667.63 6128.6 3629.7 5396.93 5091.51 4772.29 6909.67 5933.25 11504.75 3065.54 3180.34 6762.29 6968.47 1048.18 1432.7 2325.33 2978.24 3636.83 2521.83 3951.38 3772.73 788.13 5157.61 5446.54 3885.35 4543.32 5065.87 4823.07 3315.26 3391.62 5320.74 5410.33 5864.04 5668.98 4987.01 5004.91 5069.16 4925.21 5025.4 5070.85 5175.29 4516.7 4980.24 Santonine, oxime 1115.35 3674.93 527.18 1392.59 663.28 1500.88 1182.02 896.06 833.06 1337.84 2467.1 6675.44 2653.26 3038.47 3973.24 6486.51 2102.22 1531.27 1722.13 1362.54 517.96 1217.99 973.24 4187.63 1100.18 1242.45 1576.59 4869.18 1422.14 1335.23 2127.67 2985.12 1041.66 536 2113.81 823.5 655.69 802.47 1983.31 5730.24 1246.22 425.82 4361.72 3723.01 942.98 843.21 1058 1506.39 2107.36 2904.51 1383.74 2551.01 5368.47 6646.69 1301.38 2544.05 3066.58 3604.76 1546.1 762.25 2215.34 484.17 2347.89 6764.61 4121.69 2242.79 1404.52 1799.19 1160.78 993.19 1050.02 1452.99 614.36 2212.56 2077.51 2009.87 1693.19 1403.93 1153.31 1489.07 1786.05 1553.39 1257.5 2103.97 Calcifediol 14663.13 18347.28 1000.83 14020.29 6632.15 8205.92 5793.52 9182.05 4414.46 2091.82 15500.8 2360.61 12206.71 21298.47 9128.68 17152.55 8460.18 17863.14 8251.97 565.08 4091.51 8068.41 8385.45 1417.26 5368.02 5078.18 21249.89 5818.39 2016.27 7581.3 33715.25 12709.99 6852.65 937.32 30480.45 549.4 13878.36 6016.93 4852.72 6305.42 6208.09 16267.7 7009.13 6834.62 16355.35 8067.02 7916.36 5366.56 648.3 25639.77 4698.63 14831.46 4040.32 16080.26 8514.29 17324.54 6374.14 2499.5 2448.97 5698.43 4601.66 2278.39 7819.88 7205.16 8664.23 8335.99 10015.38 21783.44 23297.01 3275.45 7556.27 9850.13 2631.46 10408.44 37353.87 9857.07 9572.12 9800.98 9863.71 9746.83 9717.31 9785.2 9718.49 9921.87 Hexanoylglycine 82562.23 38900.26 22189.57 1660.64 45713.08 67679.47 24028.2 91168.48 62289.12 82892.07 32355.03 89038.83 160366.47 68788.2 32303.98 45787.5 24965.96 64755.59 88866.01 13385.99 98297.86 31243.99 69188.95 39589.32 172665.33 24641.18 26275.37 36072.77 60518.16 62426.42 102810.63 112277.4 57306.49 47701.08 20298.21 94811.85 89535.07 1301.01 47389.31 43156.84 130669.49 72359.48 7291.43 34531.2 254824.58 54769.41 58216.81 55194.67 133602.84 135272.4 61827.08 98111.36 28064.47 40998.85 38512.4 63346.57 3345.64 17085.32 118856.09 21060 18983.86 51066.9 28607.23 1489.65 13168.62 58335.2 130827.83 40569.48 105927.02 142649.22 38237.2 97046.07 13283.56 1419.99 19948.91 51942.99 51363.05 52286.42 52282.04 51942.9 51943.42 52283.72 51718.73 52292.79 5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione 10411.92 4287.47 3378.01 1789.29 7470.44 14650.94 2307.92 13823.13 21246.79 6254.71 5055.96 2700.53 4136.83 2906.71 10684.99 8400.31 1524.23 10432.55 3356.8 20742.38 18455.51 9059.44 1692.16 8030.04 11447.49 12253.83 4742.92 5927.96 15078.48 3322.81 21245.54 10048.19 8580.63 3631.9 3294.4 11406.99 10108.35 9946.84 2233.53 1121.76 10759.19 18051.42 2588.55 3604.92 13827.24 3767.29 14055.74 4633.07 7329.79 9577.9 9843.1 5337.89 1868.71 1600.61 2553.77 7588.72 1495.79 632.89 3440.66 4504.63 1100.69 1616.67 5892.75 1719.91 4106.58 9526.78 12137.81 3295.52 4649.01 13262.65 14391.49 10015.43 4506.16 1621.44 2323.23 7969.3 7809.16 7967.3 7814.37 7281.63 7972.42 7553.4 7983.55 7928.11 Thionalide 10018.91 13809.89 6941.49 4526.39 1636.08 816.54 5157.67 16311.71 27178.62 15067.97 9235.74 21780.71 3461.83 13734 18144.8 16860.13 8621.24 33960.18 26818.25 40814.58 18738.66 513.92 7315.26 7809.94 21668.49 23623.99 7359.85 3330.32 26272.65 5524.3 38101.34 22802.5 16372.17 2929.9 2401.49 25424.35 13350.61 9359.6 4591 4390.13 18512.65 22796.37 13461.79 7618.91 27075.11 8475.99 31154.62 19890.21 9696.05 27445.65 6009.73 17072.25 9884.1 2332.74 9103.43 19942.59 7793.48 5781.57 14912.64 4610.41 4222.32 3599.89 10885.53 12522.59 12717.86 19141.4 21490.37 9237.98 12354.91 14808.1 17749.82 11224.41 4825.69 11565.46 5693.5 14674 15076.93 15088.98 14648.54 15127.19 15092.46 15858.51 14527.5 15543.66 Albiflorin 224056.84 31469.07 7339.1 10588.41 38121.39 25151.61 1021.89 82362.28 168039.75 35546.84 25821.9 125308.08 43984.56 41718.12 93932.18 79436.64 26280.11 117989.82 75244.89 103088.64 167480.59 28757.9 24376.73 27373.47 168495.42 39952.85 21506.86 73143.13 79762.1 30010.4 84950.51 18880.17 19401.15 9671.5 2916.08 56050.45 66263.85 18698.68 9530.48 8099.76 74563.26 65322.17 4062.56 5447.6 49643.57 1674.41 116512.38 25224.98 40445.48 35464.32 36739.78 6730.96 5564.58 15478.36 22292.44 19767.16 10832.66 6271.92 33971.31 13814.16 1854.44 436.22 22717.92 4573.56 24728.83 55002.61 36802.19 30478.74 43912.82 59566.08 39035.61 17205.53 25773.17 16015.24 16296.72 49277.28 46748.06 46779.59 46280.75 47086.73 45393.09 46088.89 46074.4 47016.4 16-phenyl tetranor Prostaglandin E2 4796.27 2650.74 6565.37 13841.97 4095.7 557.78 4783.01 4320.09 2970.86 7025.97 7613.77 14463.52 3445.61 2063.43 4365.91 8834.12 2452.25 6119.7 8623.29 5228.56 6534.25 3425.69 7719.33 7280.93 5928.63 4529.26 9511.28 527.13 3492.52 3760.85 4708.19 7059.22 945.48 8263.57 3264.71 5097.11 3762.69 3100.56 6476.31 5889.55 5502.88 13101.54 3241.27 3342.91 8553.32 9608.51 3563.94 6562.02 7272.18 8258.76 5762.59 892.66 17644.06 6299.62 2621.07 4013.08 2271.01 7811.34 2578.15 3443.37 2692.32 3503.02 1179.59 2050.33 4773.77 5673.31 3180.34 7195.36 5559.09 3386.18 2167.33 6889.69 4866.7 7147.03 10387.45 6337.99 6394.54 6329.81 6324.13 5985.21 6105.03 6059.43 6352.54 6104.46 Sulfisomidine 74030.57 120128.56 55547.09 75036.17 101168.67 151074 98873.83 80115.25 140852.31 49971.13 81281.4 134169.46 50279.9 111167.53 93790.35 126173.54 66282.76 272074.16 140813.1 249015.28 74387.81 78462.71 46019.15 53830.59 52002.48 96565.01 33599.59 108516.18 107228.94 17042.74 276170.06 394735.43 59021.93 42791.46 34004.52 63395.44 36666.39 68987.69 26129.71 24577.26 109454.89 121146.18 94594.75 43130.37 205257.95 84402.03 226912.72 86374.98 48667.57 251254.79 69069.02 81370.54 47303.12 58088.37 43167.89 70779.53 35129.75 29065.96 40115.84 32801.82 19125.44 18435.33 43088.29 44407.97 58465.47 69252.67 156643.27 39070.98 62361.71 39448.52 68378.02 51444.1 47433.71 59023.84 49255.21 82523.78 83426.48 82674.57 82396.06 81449.23 81728.84 81744.31 82531.88 81457.81 Ala-Gly 7411.84 6671.42 10628.05 29523.07 3785.93 53058.87 97233.22 2628.95 1585.59 50743.28 26203.16 1352.07 8779.82 2890.48 2489.41 11711.22 9654.23 3445.04 2400.4 2542.17 1877.79 21671.5 18217.75 20650.47 2203.16 1158.14 37146.72 21156.07 3709.76 1263.95 2146.9 2459.21 560.09 26372.73 6551.74 2154.68 1964.18 21567.16 40010.35 14682.6 1828.86 2851.03 1744.08 6942.54 529.83 761.55 1023.3 722.31 2602.89 3281.35 462.34 6399.19 6921.41 10376.32 8297.86 1805.78 20851.46 16893.48 1006.59 13299.84 44515.72 58726.09 675.12 9963.28 11870.55 1055.5 507.02 541.51 477.67 1819.1 13955.05 53809.7 18877.79 11216.48 833.83 13654.44 14247.66 13647.92 13777.53 13779.37 13585.77 13646.1 13779.4 13443.53 2-Amino-5-nitrobenzoic acid 25694.85 23421.22 15579.9 22674.58 45901.16 73522.18 67387.28 41347.66 48490.33 59271.85 41780.92 30572.05 17830.28 14321.42 18941.35 14682.18 6494.12 35381.72 28392.49 25419.83 57865.54 322142.25 55619.4 20232.96 22662.51 16052.81 48175.39 33687.8 43441.32 4041.99 44592.8 9083 9906.61 45534.4 33279.15 24119.69 19670.4 26490.13 29400.94 35792.01 17251.23 13932.79 8227.29 18239.88 14676.4 15223.42 34865.54 49613.05 27063.15 26331.66 8695.52 35429.94 24696.87 14488.19 2634.23 21013.17 13734.33 8971.63 10192.42 6392.86 12145.12 139812.22 7501.7 14785.87 43700.08 24482.44 46094.54 13589.9 13325.72 38253.77 114117.88 55669.44 46302.71 21449.01 4507.43 22172.67 21247.99 22267.66 18550.71 21026.79 21710.92 21103.56 22186.73 22178.57 Halcinonide 13768.24 2029.79 24740.15 7837.83 38015.46 5612.91 579.84 8593 21925.03 23690.07 36528.69 465.91 21216.79 6470.81 4957.31 6164.26 138126.54 3409.36 21846.14 10286.88 6293.46 2396.9 13284.94 10331.66 19291.98 1946 8479.43 12157 6376.7 7910.21 2413.59 5140.97 1876.91 21742.39 21366.49 5818.74 12779.02 5751.1 4165.07 24042.07 567.29 1487.39 20665.27 5870.67 5002.14 40921.99 9478.67 2266.9 18871.2 14183.65 11175.57 2498.5 42356.45 68806.41 76676.66 2233.08 3316.73 42549.05 7108.05 13261.61 4486.46 11604.05 13484.05 70657.84 19865.33 15615.61 2215.53 6373.5 5924.96 13226.3 2664.5 5651.18 29750.74 81501.59 15241.63 646996.73 504232.69 893468.86 1340873.52 819940.52 688218.84 608696.61 463599.13 584468.9 691799.77 292233.99 291815.41 355369.74 378489.35 229362.87 440296.33 496388.29 685267.89 311006.62 1390393.7 1185405.04 921010.23 787618.93 357891.95 541326.24 23271.71 23246.19 22662.6 23631.81 23067.22 23036.6 23405.85 22939.48 24010.67 h-d-Tyr-otbu 16224.05 1421.26 2352.83 3975 16192.58 7416.33 4878.5 18199.57 2275.38 6216.64 3152.93 11072.04 994.5 1760.54 10468.95 1248.3 2817.56 15399.3 3991.13 21437.56 14530.75 4764.23 3708.89 2295.39 27613.22 7739.23 2011.21 9017.65 21962.46 20177.9 63344.65 5462.48 5543.99 2769.03 3020.72 27861.23 11079.14 3303.81 2009.2 6301.65 34908.98 16044.43 2763.91 1035.83 16096.24 818.28 16246.78 2991.09 7431.38 12749.23 9836.26 615.45 2796.2 353.16 6515.29 9979.05 2243.66 1406.51 5477.91 3822.81 1882.4 1256.28 3909.33 1790.75 3866.57 11758.97 12799.08 6317.51 6892.66 8269.44 2866.54 4983.86 8738.01 3280.45 1064.27 8136.62 8315.87 7856.31 7925.44 7935.94 8121.49 7797.28 7915.99 8119.93 Acesulfame potassium 14096.13 18628.39 4480.91 9018.22 7232.07 21128.06 2738.33 11861.22 14452.74 9693.37 6131.26 10361.57 23910.52 13983.04 16159.38 11376.32 15205.4 19599 6691.19 21849.29 8994.11 10588.61 2859.91 5101.54 8492.69 11221.1 1979.76 4332.95 22783.77 7483.27 24231.04 25014.25 11039.27 3487.59 3094.27 14999.9 1369.41 8839.74 2243.71 4581.1 20287.75 37077.47 8457.96 9052.91 17566.19 8963.84 19338.63 12013.64 11885.06 25122.94 13971.83 19619.5 6765.88 10761.99 8661.48 21114.13 5173.87 5349.87 2109.85 3616.51 3854.96 3860.37 10435.63 5381.77 9042.94 23366.8 25857.55 7302.75 10454.04 3715.16 9897.1 7914.67 1861.7 9403.26 7084.09 2579.93 2454.15 2757.66 2703.97 3092.36 1777.08 2975.79 2479.04 2527.14 1856.37 1885.47 2337.19 4108.82 2441.38 2743.22 3301.01 1690.24 708.71 3766.88 3056.34 3192.78 3031.51 4084.35 3768.13 3776.48 12235.4 12243.39 12826.28 12476.69 12407.18 12430.34 12079.78 12237.94 12231.15 Gln-Asn 6688.32 16516.35 3298.88 11774.18 10350.2 8160.08 16838.31 5981.33 3443.96 23193.04 11975.47 9423.71 27993.03 13102.93 10664.18 18986.73 6804.47 11418.46 25942.63 10976.47 6193.46 2823.46 5779.8 15480.77 10071.21 6456.35 11474.15 4013.55 4267.32 4308.13 3641.89 16540.77 1866.07 3581.31 6763.88 5405.47 1227.09 31935.06 1400.4 4790.75 7822.32 5628.5 5788.8 1250.72 15475.93 16652.18 10041.82 17719.47 8983.51 10627.26 3136.1 7620.74 11752.53 19778.86 2390.78 8245.04 9159.94 11943.93 6576.22 4727.03 3947.78 5322.35 6936.48 9102.92 3965.94 6594.98 5453.51 2557.21 1651 5440.54 5318.18 2456.17 6939.39 6777.54 16950.62 9362.75 9328.78 9352.44 8523.64 9462.31 9428.24 6985.42 9358.67 9360.36 Syringetin-3-o-glucoside 5343.8 5167.78 488.05 7599.88 603.29 3636.9 2954.56 368.38 263.37 1052.27 1153.02 375.05 676.65 4279.25 21090.17 1032.78 4249.65 7289.81 745.74 9336.45 3450.53 1130.67 367.82 712.54 671.43 1356.1 460.32 2532.85 2271.34 320.55 9001.91 21723.23 425.73 2069.18 2482.74 4876.97 3416.18 3911.32 1397.35 503.71 5894.99 19606.23 1294.29 4310.24 15269.06 13878.15 2765.01 2398.02 2487.63 33376.55 22945.8 33873.17 2451.74 5795.31 7511.11 15427.42 1165.42 1497.51 1123.06 855.13 1473.67 2455.72 14904.3 425.74 5138.27 6199.5 28385.65 744.6 4091.04 484.13 713.59 2820.87 1043.89 6239.94 1600.91 5367.15 5600.96 5778.1 5506.44 4962.68 3460.72 4038.65 3496.44 5652.57 19-Hydroxyandrost-4-ene-3,17-dione 20841.6 41657.66 59164.44 18443.75 15042.64 29437.11 17991.44 34142.1 17292.7 33421.64 189159.89 73152.3 50397.91 35474.66 27735.54 69269.52 63895.73 25871.22 45199.16 41673.28 24860.75 150548.41 44920.39 94282.07 21894.5 91272.8 38146.45 90840.41 55803.93 48992.8 26533.65 50284.49 41420.98 56816.86 50830.22 30064.37 5468.13 78674.95 41012.88 40614.37 33146.42 1836.35 48980.88 25018.47 22174.99 26336.3 3490.5 37773.67 24681.36 25045.92 5905.97 19585.11 146852.75 72849.17 18387.01 33581.58 24114.49 34512.28 23705.74 66319.99 16993.15 3808.58 28675.05 89814.34 8230.03 22880.76 21605.65 4699.95 18448.78 7483.13 38948.7 110644.3 36478.3 51748.22 43127.46 32845.78 41263.58 43101.88 39103.61 38894.38 39202.91 40979.56 40971.95 40105.69 Tricyclazole 22021.65 35519.47 17239.65 16314.05 17945.51 46389.73 11845.51 14964.72 35436.39 26422.99 27122.95 19035.36 20972.57 20946.98 40658.91 22450.23 26986.12 38786.75 37377.5 37089.84 26354.19 27458.64 21979.87 24221.59 37709.57 42981.25 26554.39 25255.09 34368.14 1835.96 35235.93 22202.42 31467.38 14308.45 26493.73 39785.16 38022.85 35798.42 30273.53 21448.28 42919.46 32727.79 30585.51 19505.6 51603.82 22937.8 26769.81 17860.41 6891.51 25153.64 14059.66 35297.4 30481.11 36001.47 26508.53 49324.67 19914.91 18009.96 31759.87 31875.66 20220.93 17692.19 39998.27 27123.59 17954.96 42469.28 34554.96 18974.46 20621.84 29224.13 33682.07 28957.62 21032.17 21538.84 15791.5 30615.98 30547.45 31567.37 32179.1 30537.22 30286.57 31080.17 31663.21 30020.16 Chelidonic acid 13808.34 17987.91 10756.54 17558.3 18664.31 16758.46 29398.03 21964.29 14830.03 13135.39 15627.81 18003.39 16352.69 17913.24 11810.84 17914.31 11268.79 14866.37 20906.39 25708.98 21395.26 16275.33 21517.94 17858.2 9875.42 11602.33 8219.37 11430.35 14844.95 1297.59 22994.27 24984.94 11488.09 11924.43 8851.59 9499.98 8638.97 12141.13 4920.85 6646.17 14424.51 13020.82 11412.33 7885.49 18313.32 16120.96 19489.5 12357.32 11243.25 16843.28 10174.11 11807.1 19091.83 15103.33 6003.21 9699.87 3646.95 5938.79 13828.87 2797.84 6921.5 6286.84 8692.23 11284.89 14475.13 8268.41 11270.78 6586.25 12532.7 10683.66 13840.47 12974.44 2893.71 10514.19 5641.4 12128.05 12127.26 11888.37 12136.63 11907.77 11880.23 10343.36 11945.2 11978.01 4-(pyridin-4-yl)-N-(m-tolyl)thiazol-2-amine 3355.22 12045.39 16467.15 14509.77 11509.25 4355.95 16668.05 12908.13 16652.75 24075.68 24404.82 45347.41 28837.06 24901.45 12292.95 24997.72 16743.64 16978.31 50619.78 7518.23 7062.95 852.7 29094.82 23129.19 13580.75 17253.16 19469.06 20320.57 15533.93 8815.35 17970.89 38920.95 10960.51 13796.88 15281.91 13138.6 1136.2 2452.97 10250.11 12473.44 14882.94 4312.82 18125.99 11716.1 16234.27 12105.54 16467.52 26893.2 17255.02 32197.69 1779.18 10434.07 18959.79 22726.99 6513.39 9570.01 13198.64 12199.19 13027.36 4038.78 8025.25 9790.91 3087.11 21616.34 21023.01 11511.84 15710.39 20332.86 22803.36 10085.64 11546.79 24359.48 16834.41 20462.01 16031.58 17861.9 18430.48 19469.03 18126.16 18010.36 17836.09 18454.13 18935.05 18003.39 Amobarbital 2769.2 2218.88 2366.02 2685.38 755.51 709.83 1528.13 1985.93 2632.54 2047.15 1453.32 1296.01 1652.27 2942.18 1528.01 2105.09 2599.69 2085.82 2837.14 1932.78 2170.69 2080.29 2944.24 2739.48 1824.07 1479.73 3659.02 2596.7 2732.99 2817 1205.53 1839.6 2875.14 2430.87 2420.71 2492.63 2649.04 1238.7 2325.08 1699.1 1522.32 1262.94 2765.95 3931.42 2246.53 1507.08 1498.58 2567.24 3169.59 2248.8 1611.22 2309.44 2049.86 2189.64 2702.33 2073.27 1153.11 1879.37 2867.24 1074.98 2828.19 3401.45 2559.18 1269.17 2213.06 2332.23 1527.18 2941.2 806.5 2305.29 2286.23 2277.72 1719.92 1927.58 2162.29 2571.28 1893.89 2679.15 2475.49 2678.03 2530.93 2672.51 2656.53 2672.86 Edoxudine 37535.92 5832.95 5013.69 20844.86 55786.34 7239.77 96335.85 53324.03 51774.2 46619.61 116025.85 69233.83 37060.57 56529.78 47785.52 113840.5 65473.38 18975.22 79706.91 5464.82 52929.81 554.49 19237.71 78082.72 44252.03 49071.84 62751.88 56006.61 15965.55 1068.37 40277.35 65780.44 27148.83 32961.41 45421.02 18122.37 35606.43 602.85 35090.85 25175.17 10328.52 45172.03 44263.09 39385.6 26843.23 45901.27 17532.63 61498.58 26549.07 75152.45 25148.81 27757.54 46839.82 70019.08 24595.63 13134.23 26439.63 2389.48 35556.04 15797.11 35385.13 17472.32 25359.67 23191.18 29085.54 31542.83 32340.64 42589.8 60724.37 38390.4 18015.01 28241.06 64008.01 4822.61 63123.91 40936.89 41974.33 40699.57 40662.62 40652.99 40030.71 41077.52 40665.78 41069.23 Tebufenpyrad 5672.86 15961.92 14301.3 16773.55 54757.3 2646 20689.48 41836.32 41157.72 17030.13 10446.07 11647.73 3094.95 710.36 38943.61 22814.49 12425.52 37160.22 22115.83 40554.33 1357.75 8656.68 3751.8 12706.07 31703.97 28828.19 11239.38 6336.85 27833.42 25730.75 2176.61 15106.12 21480.98 874.42 6830.6 22145.68 18500.67 215089.05 556.8 10019.67 11022.09 7135.14 17991.95 1706.12 17499.24 18665.58 21691.52 2213.38 8268.18 8094.68 7642.71 10042.02 9809.48 23454.87 18772.25 15079.64 14018.58 14376.71 19198.2 31426.47 5354.93 2626.49 23261.66 15181.99 17413.21 10997.51 1357.03 6875 6660.91 17897.19 31609.66 4917.8 11525.84 36888.21 9424.42 23885.36 24126.83 24021.81 23901.17 23774.05 24143.16 23771.32 23654.83 24125.72 nor-NOHA 2026.62 1580.77 461.66 465.74 8433.19 665.12 23425.91 47934.23 51830.49 2315.01 15500.62 58657.71 1165.35 703.95 13429.09 5513.35 1063.64 34222.75 15502.72 1626.21 33016.63 8422.99 13032.69 522.47 30006.37 2241.09 6724.71 14115.2 2046.73 17908.31 34819.83 17223.31 5217.18 111321.44 97224.29 9973.69 39075.46 3531.3 9681.69 115187.94 1351.08 2692.9 31040.95 14134.9 12166.78 94457.81 48999.81 23414.35 14532.2 8815.02 76491.61 23671.45 119981.05 205594.65 20503.2 1957.57 18411.78 15130.33 8071.22 18505.57 672.23 2599.75 29333.91 147646.88 56375.84 116532.66 27933.76 20644.92 638.66 37222.86 7726.22 542.96 52145.52 108124.17 34662.13 21721.58 19522.18 18094.92 19935.84 17239.67 17259.74 17022.17 20035.89 17008.88 4-(Hydroxymethyl)benzenesulfonic acid 39468.93 38638.11 23705.17 26884.9 37192.88 71889.92 45899 35923.41 62543.07 42002.24 36368.95 60932.01 39350.9 26744.49 30942.17 39896.87 21466.76 45201.1 39285.08 68422.88 47464.1 46254.19 27552.44 23996.77 37784.3 42275.71 18267.31 23938.13 53981.13 15176.17 65742.93 36875.35 21454.05 21529.97 15490.68 31639.84 22873.64 36437.02 14940.02 14228.52 33751.57 44582.15 16256.09 11194.16 45202.01 24787.38 45354.66 38749.96 28150.35 32526.82 18984.1 22607.5 18550.41 19990.85 11075.62 18515.94 22023.53 11414.43 22900.88 14757.65 5685.9 11077.11 18607.98 19853.04 43113.6 26004.7 40700.39 21636.34 28996.02 45912.57 38199.82 30074.22 20364.74 18521.65 28877.5 34951.77 35384.55 35901.72 35027.36 39403.91 35273.01 35358.35 34883.55 34806.61 S-Nitroso-N-acetyl-DL-penicillamine 628.33 7537.54 5455.64 4123.21 10583.76 17395.99 8045.3 5440.5 10686.6 375.65 3737.55 4158.46 536.87 497.08 7694.61 6034.97 4909.95 16278 1473.09 24966.06 9808.73 17650.42 2301.59 1920.86 758.05 1575.57 1584.25 2079.34 18471.64 1461.28 11527.19 875.23 693.26 1549.03 461 303.27 860.51 762.35 924.79 279.98 1957.93 329.98 486.26 311.69 3339.37 10633.79 15846.29 2207.34 1556.86 2811.84 625.24 829.66 374.18 866.87 474.66 1702.24 3687.11 8443.35 1872.07 3761.41 236.02 910.2 1079.89 1977.43 2862.1 2442.85 18852.15 2656.73 1442.19 2886.54 1870.38 832.31 1008.82 2657.33 2871.16 5490.08 5854.15 5208.65 5213.31 5307.88 5516.7 5287.43 5681.61 5441.35 O-Phospho-DL-threonine 4775.95 2983.37 6665.71 15624.75 3177.51 1346.77 20309.97 817.46 4675.02 3328.35 3296.28 10356.26 17323.01 4879.09 5528.17 3650.13 4746.98 4501.43 1049.6 7102.27 4693.34 2694.81 7639.41 6502.43 5605.59 3540.06 3872.73 8293.41 6617.35 4622.12 5320.13 5424.93 3720.54 16152.61 12514.22 4032.36 6805.92 8199.75 14222.96 7833.33 2163.58 1354.03 6902.89 7152.8 4043.6 29221.19 2121.92 1333.33 6224.79 5278.47 8312.6 2506.77 8434.42 13548.68 2640.29 3309.66 5679.36 7735.24 2747.58 3343.69 7330.41 4120.22 6664.19 17797.76 2893.38 1425.37 2119.85 5223.32 2368.4 1416.84 4251.73 1325.4 6132.07 5023.76 13986.12 3030.41 2831.22 2865.07 3088.61 2803.92 2421.62 3142.88 3278.56 3841.22 Methyldiphenylphosphine oxide 792.65 1212.45 2713.24 2022.77 5024.82 1818.2 5351.17 5084.47 5213.86 1584.7 4437.67 4245.19 897.61 3472.07 13333.8 5846.7 2712.63 13927.75 6435.15 137885.2 2271.29 1434.84 3458.25 1988.37 4430.88 8244.48 2992.16 3052.66 2847.71 1739.4 1568.91 4966.9 1558.09 2686.24 2370.46 2203.34 4657.77 1829.42 2120.91 2270.95 3896.97 3563.59 2676.86 1751.47 626.14 2216.66 2485.55 3533.51 2656.89 5154.68 2020.12 1456.36 2474.73 3311.46 465.82 1919.63 1724.94 1579.27 3391.16 1363.62 1954.86 1804.78 997.1 2697.3 2968.83 2778.02 1836.98 2562.05 3297.53 2989.15 37263.73 2760.9 3104.42 2682.3 3556.64 6877.23 7205.2 6743.97 6798.2 6830.21 6757.41 6495.55 6880.55 6848.54 2',5'-Dichloro-2-hydroxybiphenyl 1466.65 451.19 436.98 1147.55 2432.68 4143.09 2167.28 2675.46 1626.92 462.67 2536 2700.73 1034.18 2535.7 1216.47 2590.17 934.88 2504.32 2315.34 4078.01 1004.45 1305.97 1206.39 1653.61 1138.22 1003.7 1174.44 1179.15 2733.92 1841.38 2367.66 3752.24 704.11 1169.08 878.32 2221 779.87 495.87 1214.42 1267.18 3848.44 3999 1484.21 1435.05 2884.24 993.59 1424.18 1252.5 1104.77 3335.88 2715.6 1878.52 1811.94 1483.82 1202.57 1000.4 1089.93 417.94 789.16 996.14 1327.67 1398.19 1074.77 1022.37 748.29 1277.13 1434.55 1340.34 2239.4 1339.37 1692.15 1475.67 1021.53 931.57 767.5 1915.99 1642.85 1653.89 1534.25 1737.99 1778.72 1663.2 1669.33 1742.19 Chymostatin 7262.3 18839.25 19563.16 16091.57 4406.71 1300.56 314.97 5847.93 5946.66 9482.58 21529.39 16038.08 13553.86 30518.8 5335.59 13868.19 5567.39 22077.63 9344.77 9252.01 2723.89 445.1 18645.03 13408.23 5460.06 3863.04 4579.61 5192.61 2910.46 1659.72 5457.66 4980.39 3230.84 17929.93 12631.62 2491.27 1966.54 689.03 2369.58 2589.33 1249.64 4050.04 3665.27 3825.67 9722.08 11428.46 1563.64 6511.33 7927.75 21405.68 7215.47 17923.96 5655.01 18089.19 14456.67 2884.12 12426.87 2436.24 914.8 360.31 2755.69 2722.48 6174.43 5507.53 6358.23 20113.46 11666.21 5132 6732.91 4214.64 2195.19 6838.63 26689.01 22126.31 20496.62 12575.45 12968.4 15965.5 12689.36 12792.55 12566.56 13310.26 13506.61 12636.93 Icilin 1732.79 1087.92 878.7 421.74 1998.53 447.16 1071.31 399.95 908 3599 325.26 682.66 1160.09 1189.16 1579.75 1438.52 911.02 2111.54 305.62 1238.14 1301.69 991 1219.43 1275.82 673.31 4529.87 1500.08 1560.17 1172 337.57 1284.53 2250.4 2124.48 802.03 716.82 714.62 1841.97 1869.96 1278.12 384.99 1211.91 3848.04 1016.62 1073.65 2411.01 792.08 3109.94 562.94 1523.53 966.1 837.3 2369.81 1396.67 1094.23 4478.41 1828.36 541.92 989.07 1990.07 1926.23 491.19 304.94 806.74 1089.23 545.39 1686.02 512.84 1342.9 1446.3 338.38 3486.26 2627 2127.35 795.77 814.62 1962.82 2535.6 2258.06 2035.96 2353.79 1748.42 1946.53 2498.46 2115.6 D-Fructose 2354.15 472.93 3723.24 6045.6 7820.81 16347.33 53898.58 322.04 353.83 485.87 929.04 7438.44 3838.53 564.84 1305.3 6960.33 401.73 2406.03 842.13 2599.47 2769.73 286.09 756.66 1120.23 1764.44 467.72 690.87 8391 2060.82 4731.18 545.66 7468.46 2013.25 3844.35 1349.01 975.07 634.9 844.1 854.65 1154.93 13388.45 1423.66 1294.17 782.89 3501.42 7642.05 689.46 340.23 870.73 4106.42 1832.01 2118.05 2464.18 15519.88 1118.01 2831.4 4430.19 2109.02 492.81 10015.53 2697.07 2830.42 1031.02 2281.09 789.17 2689.02 282.96 1017.09 1659.52 474.1 449.47 1395.8 1370.09 2595.91 14481.71 4648.48 4659.66 4703.4 4649.16 4497.73 4647.1 4704.61 4705.48 4712.17 Tolfenamic acid 10449.4 17116.87 44888.09 49804.09 16752.69 8436.26 59759.47 14092.13 11913.13 11955.5 38963.92 27299.3 64011.14 34701.85 29555.68 11510.83 12491.93 17632.81 26488.84 4308.1 23640.17 18112.45 20091.1 41862.65 36002.83 6287.12 40107.25 53475.77 23042.15 7056.83 15380.93 17185.82 20314.01 81534.07 76094.84 31464.81 43012.19 27780.22 60263.88 27559.37 11766.84 11521.21 54586.49 13986.58 11450.3 40254.41 15946.82 46942.32 56991.93 27217.72 44941.93 11727.2 47174.79 71587.74 18853.79 16445.79 34066.9 32178.98 9919.37 24430.93 27909.94 33315.55 41919.24 37183.07 17379.31 12979.64 2809.52 26856.82 27215.6 20943.44 16635.06 14960.11 31259.63 62889.5 52419.04 28013.48 23776.79 26852.05 26946.41 28377.16 26943.82 29328.35 25036.24 27879.7 Thiopental 3172.07 4599.46 3678.29 5915.46 9260.88 3827.55 6812.94 6534.34 5890.78 791.46 18604.94 1053.27 10138.58 9371.61 6008.86 3085.77 3281.48 12994.18 1949.41 7355.3 6796.75 1767.87 13626.03 6729.75 4548.03 797.03 14669.27 8744.83 4638.32 2917.52 5567.11 11578.9 816.81 110636.37 11623.92 2930.53 7869.5 3546.68 135625.17 2269.23 1070.91 15214.24 3029.28 53437.29 7295.85 108825.98 1353.77 8061.54 52880.49 9126.53 199488.59 14420.54 35044.85 16493.42 54961.89 2829.68 9941.74 2284.83 5460.43 5498.09 28811.77 53871.68 37705.47 17341.55 20802.66 10165.03 3026.8 1110.06 9760.53 5492.05 8989.32 1786.03 60729.3 6030.04 10527.43 8974.87 8053.72 2924.37 7801.2 8161.01 8276.44 6483.6 8738.56 7411.31 Estradiol acetate 8129.87 7423.85 20388.55 19947.66 8841.88 3548.16 19447.58 7762.93 5247.89 3876.74 6447.96 7963.52 26568.74 10227.82 8901.29 10163.5 9260.72 10517.35 8741.78 6281.77 5120.02 4361.15 10190.73 9404.32 8938.37 1651.3 6290.75 5845.21 2790.47 2236.71 3818.92 2037.99 3392.78 2392.55 8600.56 483.36 4724.33 407.75 3529.89 7880.9 2760.16 800.52 10041.45 11312.71 5388.17 12551.46 2953.6 4037.07 3563.51 7615.97 10334.61 11243.76 14201.4 29988.89 15487.17 13334.42 36481.29 17187.91 5285.61 13031.09 13023.96 12149.46 17716.3 19521.97 13476.9 15226.18 3960.53 9925.94 6523.26 9839.3 8584.5 5227.56 13829.67 22039.28 28664 11314.21 11330.21 10888.66 11312.44 10728.63 10391.52 10464.42 11628 11184.84 1,3,7-Trimethyluric acid 4493.29 20982.14 53085.02 43385.01 7591.26 11243.59 16285.73 1791.84 5315.17 5287.37 14150.21 16266.97 16329.98 16346.1 20937.31 27787.82 40390.67 13243.46 9084.06 776.98 6997.85 8281.33 11182.69 11301.57 10207.44 12924.42 13051.03 12303.32 1535.55 9611.63 4843.18 12188.7 5687.67 14610.68 20850.75 6215.29 11101.93 11287.69 22601.64 16914.62 20019.03 11333.48 17109.79 20296.79 8429.86 18910.01 3680.9 3375.28 4311.21 22694.39 12678.14 12073.01 12598.93 38149.4 22302.55 22163.57 119861.8 88192.6 6926.88 22465.9 27587.22 24001.83 31287.8 64271.35 28569.62 14727.64 11033.14 13683.9 22842.6 11851.97 16599.95 10133.89 35292.73 38869.73 35294.49 18372.25 18771.48 18675.96 18431.1 18379.38 17300.01 18689.58 18674.68 18689.92 Phytolaccasaponin G 578.55 1009.02 8019.63 3685.73 456.66 877.33 3417.74 2679.31 510.55 2451.3 3291.56 1555.16 3260.93 2119.61 531.37 6159.5 2708.39 1287.96 6693.96 1686.53 1289.63 1236.63 6861.94 4376.86 1532.81 930.94 5587.19 3038.89 1598.31 1540.47 1520.8 1146.51 703.6 2730.86 2268.84 1163.9 1445.85 667.18 3033.48 1325.65 1558.93 1986.46 4734.35 2093.65 570.73 2060.66 1749.77 1323.97 703.8 936.48 2099.53 1760.66 3419.91 5769.77 460.45 1079.69 3527.15 1355.08 1162.05 499.25 2302.1 3262.39 944.23 3820.22 1638.84 1023.45 1175 5585.12 836.09 512.9 547.65 2581.81 1960.6 2720.66 5081.79 1742.68 2220.3 2139.12 2036.62 2050.54 2038.56 2169.67 2042.39 2043.52 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 5316.38 1358.8 5105.02 25551.75 31151.76 20538.73 1153.44 34101.03 29647.55 17067.78 14605.19 31680.55 5018.88 5144.87 23238.87 1431.6 3639.33 25578.14 16776.25 42476.21 7043.08 3130.23 2469.31 6704.73 23957.32 20752.14 9621.76 4837.91 19843.79 6150.18 1366.27 6277.12 16849.88 2543.32 9844.89 17074.08 11766.13 32747.04 708.15 14272.25 2213.02 2185.91 14799.85 1002.64 6945.05 5071.82 5224.54 4234.96 5916.37 3758.21 644.53 10510.21 11767.5 23295.52 14702.35 9709.04 6867.81 8181.11 29790.16 31505.67 3982.27 1984.95 20897.79 10447.44 19736.29 23813.53 5212.78 3949.94 2154.31 15847.64 22043.63 4691.83 18889.88 26529.58 3293.98 17401.89 17709.9 17420.98 17070.77 17647.7 17016.13 18269.62 18206.38 18254.94 3-Methylglutarylcarnitine 9996.59 31757.82 31370.94 23672.2 14240.77 2194.51 6194.47 58480.77 68560.82 44416.29 29142.36 33498.37 9577.04 10339.74 62274.8 22917.14 43984.4 56768.5 31470.06 19101.95 6540.42 5905.28 9170.06 23714.5 69362.72 110262.08 45219.79 13897.04 48090.43 24973.2 2161.38 31211.54 71536.63 10548.41 9340.28 17730.57 35248.18 7171.95 14532.77 40252.24 3866.34 5035.04 42347.38 22641.34 9852.7 15088.36 46013.27 7023.17 22751.62 7730.97 35753.37 3936.04 20605.92 43172.86 32900.32 46705.92 17224.38 27059.73 59939.26 16090.42 13064.03 6107.34 45646.91 46625.04 56369.81 40816.26 704.32 6160.34 20450.37 42441.83 72124.46 61019.21 18361.6 98529.34 22222.16 22498.9 21488.33 17251.17 21603.29 21696.72 21721.68 20413.2 20314.19 21028.28 7-Hydroxyamoxapine 339771.88 187828.46 43286.75 60187.43 420547.62 234242.82 110036.2 518930.7 709773.42 168966.44 135680.79 184135.73 48439.48 75466.92 371120.95 224820.73 126229.39 481344.81 199676.31 901678.23 437159.84 79448.95 56134.99 72501.6 401525.88 306925.38 104881.15 149997.31 645439.25 133101.81 751138.39 222981.93 325887.18 67582.77 90599.78 298222.41 370718.32 142322.13 70957.44 112571.23 386151.16 445536.02 74675.86 59099.17 429670.31 90442.12 711992.74 172756.38 133789.28 382024.51 215187.74 134954.62 89793.7 108548.7 228045.01 150300.31 36574.64 40200.22 352053.31 40515.39 45706.17 34982.32 154085.13 132045.55 206632.3 252847.81 343688.81 101059.53 152326.3 421564.69 526488.58 149979.62 222277.43 149331.12 111857.53 3390.17 3732.78 4524.5 23312.59 7716.13 6292.46 7539.18 7102.86 10879.81 12122.45 7840.03 695.14 22911.22 6823.79 8095.25 7838.58 10745.94 59116.69 4287.53 4881.73 4819.8 18916.34 32622.84 18952.76 13067.85 248289.17 247595.04 248289.56 246697.26 248610.1 247912.93 248287.22 248280.67 246834.75 4-(2-Hydroxyethyl)piperazin-1-ylethanesulphonic acid 267863.33 87487.41 20917.62 17845.52 239778.66 22800.94 48432.58 274877.06 444177.5 213050.75 99630.26 235764.13 92728.32 82070.62 226356.08 168316.04 58784.06 202811.32 240744.92 426052.01 236801.64 14904.57 48362.73 22735.93 245746.94 149331.66 69820.69 181361.63 261705.01 252517.02 442877.28 301087.99 113332.29 73815.89 32446.92 277415.53 198577.95 61240.42 58442.78 56885.74 302617.69 450774.23 33780.85 66028.54 237168.77 64133.63 382781.9 120823.65 184513.74 254770.7 220406.04 40374.73 12652.91 88954.64 109309.74 53564.89 17914.58 3511.71 146088.19 9934.37 49536.3 31781.33 85075.12 12032.91 72585.13 151719.25 129113.05 101799.29 136647.61 186420.55 205891.11 82945.79 120416.71 37569.51 52496.97 166796.49 165136.57 159288.59 159317.11 162223.6 159202.15 166878.62 160835.74 160607.68 N,N-Dimethyl-L-histidine 6631.36 16887.2 2793.3 4558.77 12040.55 6505.28 7466.2 7389.02 4063.11 5869.95 5926.55 9472.33 13095.46 23287.36 9184.69 7237.1 6213.4 10003.59 11396.12 846.31 4800.86 2166.07 4521.22 4855.48 6399.34 10749.32 3987.84 7824.06 12227.37 841.26 9914.01 26163.82 2610.77 6197.82 3754.59 12190.2 4988.14 2483.93 3769.01 6302.13 2084.89 12114.82 5559.03 4006.96 10257.42 9453.68 28620.19 16501.34 9812.72 20173.38 9492.59 8300.13 8658.82 9399.22 5755.28 19825.25 1959.53 2395.35 12151.73 1249.24 1848.09 2293.19 6092.08 2735.97 3254.73 8077.81 1789.89 4935.99 4964.33 15047.22 4713.67 5242.61 4322.47 7371.06 6755.61 10039.4 12797.08 9564.89 10008.67 10083.24 11717.34 10292.06 9574.74 9325.24 5-chloro-1'-[(2-fluorophenyl)methyl]-2,2',5'-trioxo-spiro[3H-indole-3,3'-pyrrolidine-1(2H)-acetic acid 6435.12 14767.1 6600.76 6065.35 22049.31 39808.1 10613.95 11515.67 14991.37 4043.48 8262.24 4216.56 17682.21 1332.18 13951.24 10509.43 4955.31 3496.18 6920.33 4398.99 15718.14 24043.47 2861.24 4570.38 6585.21 9255.64 1995.57 1111.56 10872.55 2456.52 7687.03 788.87 7645.89 3866.75 2371.2 1063.56 1917.93 8395.9 586.68 734.01 2737.52 2414.6 1403.8 924.77 1533.48 4253.1 12418.38 1804.46 729.2 1832.74 1007.26 6040.21 1841.82 1745.77 1895.19 9919.81 5645.6 4070.63 10061.72 13297.55 1153.36 863.39 5831.36 1011.7 2233.03 5549.41 16279.71 3055.65 2239.28 10099.67 2325.05 4011.86 3605.22 2904.85 2309.24 6561.54 6593.17 5953.66 6416.08 6421.14 6499.19 6553.82 6796.59 6412.65 Genipin 1-gentiobioside 171618.65 2175.39 25464.53 3409.64 254590.24 78156.05 56561.01 563743.36 879891.22 135742.57 146651.04 262475.43 54967.74 1947.52 256675.14 121134.41 1998.14 351895.9 134315.22 266806.52 560815.35 39729.71 1900.25 3671.05 360484.54 161077.23 69606.99 227494.3 365591.75 277048.97 679772.78 180444.99 100579.63 64052.54 52987.04 275984.49 304655.5 1323.32 26575.55 125579.44 129251.33 254003.85 54062.93 614.29 256879.63 59084.85 790085.3 95979.34 142046.33 195723.45 246241.04 58014.63 66559.83 91454.23 142862.16 1195.36 17412.48 3774.76 226436.62 48473.09 31106.82 1986.17 88403.08 93440.16 160160.65 397849.03 327580.59 29499.9 33680.98 309350.31 229886.19 45883.16 156021.87 103750.53 38747.03 174677.28 172681.33 173757.93 173758.72 171813.94 173467.8 173185.47 172696.22 173749.39 3-(6-Amino-9h-purin-9-yl)propanoic acid 2216.96 864.87 2081.7 1950.92 909.93 1931.56 1111.3 2986.43 3083.28 3139.83 6118.94 2826.22 2479.53 776.85 1869.88 1060.42 11810.41 2475.95 3168.26 2766.6 2740.74 2694.79 1459.63 1502.38 4369.57 2226.89 5885.67 3628.85 591.22 960.04 2756.63 2519.76 1259.33 5663.67 10775.63 1222.38 1461.7 3765.75 1016.92 13189.55 1942.18 4186.17 7497.25 1035.84 2485.41 2815.43 851.25 1454.57 658.53 939.11 2465.46 756.73 14086.42 12393.29 11766.9 1089.74 1259.06 14254.47 1553.87 48077.44 829.97 990.94 1839.8 15568.55 10392.56 2491.14 3095.39 1460.08 1541.22 1325.03 2894.95 1376.63 8904.77 19098.22 1845.22 2204.65 2155.64 2159.35 1624.15 2153.26 2002.59 2168.88 2033.67 2082.89 11beta-PGF2alpha-EA 5154.79 2988.85 5276.27 4593.83 12755.15 3840.42 5263.84 9416.91 8193.88 10366.45 12446.9 15702.02 12650.32 7402.39 1600.69 9581.17 8627.27 1502.84 7924.57 12529.88 11617.61 4151.81 8392.1 6773.25 4017.86 2408.21 4459.58 6469.05 13457.44 11313.77 14875.27 21204.42 13112.06 12296.26 11228.15 10049.81 4576.17 2719.89 2638.1 4066.11 10086.32 6377.65 4463.02 5784.83 4261.62 8448.18 10003.96 7854.86 9205.56 13274.74 13102.68 2984.1 8152.95 12364.48 4082.61 4244.9 2340.39 2434.73 10654.81 3184.81 4810.15 3902.21 2929 9005.24 8844.36 5161.92 9286.34 8377.31 7009.11 3301.68 2002.13 4609.43 5426.72 8502.42 8718.45 8570.2 8740.09 8431.01 8907.26 8612.41 8717.5 8012.46 8397.96 8721.34 Glucobrassicanapin 50648.33 117600.41 41076.63 13575.75 59562.62 72313.82 1990.05 67634.87 62388.03 49564.53 33752.12 20519.15 29833.16 26995.23 108029.89 32430.34 27808.88 58262.37 41308.12 22085.07 59908.46 56171.75 32013.76 32858.51 93354.6 68132.01 26801.99 28495.95 51521.38 4115.13 29859.46 23923.91 109481.24 35239.8 39102.81 48340.7 138852.15 163421.27 36481.1 37328.82 65731.13 59181.04 40926.79 32095.25 66941.52 34176.79 44731.53 32547.42 2179.13 28835.23 38040.35 140847.12 41779.06 47182.19 102553.25 187437.19 29349.14 33234.27 115730.82 207826.34 26628.96 25346.6 135938.68 41733.79 33564.22 130119.04 105649 25218.08 31342.82 106336.16 109708.69 39428.76 29997.53 49080.18 32393.37 71470.15 69573.94 71515.54 72565.56 72594.31 71438.99 72562.69 71493.82 71864.06 2'-Deoxycytidine-5'-monophosphate 11813.32 4870.71 10085.59 21319.67 5057.42 5101.72 13612.13 7562.48 5953.54 8902.41 20560.85 19566.8 27513.63 13736.64 5157.12 27193.66 5958.25 2968.11 6063 4950.57 5169.28 2670.6 17564.94 16214.8 6758.9 4386.64 12230.75 15115.02 4474.74 10790.63 3085.89 13442.56 3019.9 9717.68 5207.49 3402.24 4984.24 1645.38 11074.87 8302.06 6134.3 5486.12 4625.45 8353.11 1785.01 3842.34 4526.21 8579.88 7807.52 14099.56 3320.45 4498.12 1345 3392.87 1387.64 2899.63 3276.8 4725.45 2231.18 561.75 2897.29 7407.71 1784.12 1917.76 19221.52 2145.8 4453.09 7568.76 8442.25 5196.25 3289.39 5107.43 2854.94 6002.67 4049.41 4627.84 4718.36 4625.49 4535.56 4534.51 4596.99 4628.63 4573.82 4634.64 Ala-Thr 22434.71 21362.34 45932.34 46433.85 22707.41 5050.5 22695.53 22190.86 23232.26 35381.28 81065.71 75559.22 95033.66 63512.23 24058.8 103136.2 70888.81 5183.57 89616.86 34706.1 36256.67 9507.22 53012.24 67490.24 37384.52 23276.45 64192.24 66376.87 38091.86 79861.13 36965.37 125683.62 28318.08 72250.64 61721.98 32978.9 26642.44 21667.2 67677.94 52452.68 37441.89 46949.16 35595.99 60361.17 23350.68 80268.99 25923.91 87182.49 81395.6 84035.06 19967.6 19568.95 64344.38 87921.84 16706.09 22727.01 32089.53 37717.44 25279.09 7572.87 51343.08 48549.35 20749.79 70868.84 69431.31 27127.03 35855.73 74436.41 58538.23 21982.98 20044.22 71045.11 66596.26 69641.78 70054.31 48237.85 49694.82 47851.35 49785.18 49758.41 51096.16 47685.11 48765.55 45450.92 trichostatin A 628.26 516.46 1021.97 4002.76 1036.92 161396.61 22305.66 8885.19 1519.25 442.2 15429 528.71 11896.18 5433.8 9908.53 24864.5 347.48 310.8 13899.78 1458.88 642.6 263843.97 712.18 1367.64 1245.5 441.54 6732.33 1017.37 558.06 4942.66 16872.78 11694.15 1533.98 529.06 10518.84 8447.44 11302.08 1357.16 1360.37 13873.17 15030.36 586.12 469.17 8782.86 895.29 9021.37 13556.4 12636.95 485.46 15153.51 11989.56 13019.5 1511.18 24439.69 7643.7 8527.26 3314.63 468.65 7960.3 138547.46 7283.7 47740.69 13592.54 20677.04 600.98 1067.9 9236.05 9994.57 16570.43 1063.26 698.05 7688.49 377.65 1094.21 17462.64 12982.28 10761.13 13227.31 12742.59 12930.9 13235.36 13198.12 13188.69 13392.59 2-Amino-6-ureidohexanoic acid 3794.84 1451.75 1606.3 2183.36 21480.2 13343.92 4763.9 5096.64 6868.14 2803.69 2667.1 3896.3 11855.35 1687.75 2425.49 6493.29 1818.97 2837.14 2184.47 2364.32 3092.66 2540.42 2548.01 2319.24 3201.27 2817.05 3668.03 2947.93 3805.79 1710.69 1260.09 5173.34 1479.52 4299.55 1907.41 2538.47 2425.63 1071.92 3499.84 1368.87 5532 6247.7 1898.23 1695.91 2418.34 9558.09 1769.2 2660.47 4581.41 4511.92 6429.48 1660.31 1855.09 3066.08 3608.03 1167.9 1774.28 929.89 4362.41 2292.85 1138.54 1744.25 2609.85 2360.68 1763.76 5306.14 1954.34 2602.31 1978.89 2415.35 1574.8 2216.31 1183.45 2487.08 3328.94 3668.84 4747.49 4721.75 4515.62 4662.7 4708.43 5016.43 4606 4532.74 Robinin 851.12 1177.02 42777.53 16012.71 2042.74 1151.25 10232.77 4664.07 2664.29 7921.05 9957.47 10526.57 18554.61 4415.94 768.2 11922.61 14916.45 2610.93 1316.94 6040.39 1378.26 3801.58 12091.51 6816.91 1639.72 3425.23 7647.86 6337.23 1769.54 5924.48 3225.01 1079.4 1043.66 9556.15 8758.84 4013.1 12433.89 19850.52 7337.35 10474.27 967.59 1630.7 12761.18 8942.33 1953.88 6441.32 3061.37 5945.32 3988.17 973.82 732.87 11430.16 12071.26 16281.4 4373.56 6276.19 25894.21 15021.72 1990.37 2366.47 12088.89 9374.72 10872.17 16210.11 1937.34 2719.52 769.59 8494.5 8263.8 8979.19 3821.01 19855.16 5885.32 19183.46 14141.2 4732.06 4763.45 4390.18 4751.48 3644.49 4388.1 5036.57 2344.66 4245.84 Keto-Deoxy-Nonulonic acid 2283.06 471.35 40742.47 7630.15 8795.21 612.59 5018.44 1254.38 2143.21 21995.41 24566.6 10551.83 4515.46 551.71 1789.72 8727.76 101450.02 3018.27 1146.59 8532.04 13872.89 10626.71 4632.09 1381.57 10656.64 4804.63 6456.78 10898.61 4090.51 8422.95 7936.27 7238.75 20384.42 17756.65 20421.7 3637.68 10766.57 27440.11 3174.41 20324.27 8437.85 6673.57 37822.75 4907.16 6219.81 20374.49 944.8 943.81 8099.12 1156.03 4473.93 1640.88 47002.13 41573.14 60472.08 1922.99 17940.13 196407.33 2462.49 12875.4 4980.66 900.86 10353.07 62274.99 14685.25 9060.39 13956.18 1087.08 3919.47 9771.43 5236.09 12166.39 35349.69 117437.01 8593.73 3299.28 4001.55 2545.48 2552.66 3278.07 2978.36 3230.62 3204.76 3593.91 3604.66 7434.79 3671.95 3697.39 3835.73 5143.95 4254.12 2995.06 3835.89 4570.64 3888.72 3572.06 4748.97 3425.93 4928.87 3749.83 19483.25 19746.57 20399.86 19755.33 18923.41 19824.09 19473.25 19187.23 19506.23 beta-L-fucose 1-phosphate 27278.31 14002.85 12292.47 26274.75 26542.55 53805.21 50293.38 22701.8 41337.12 39441.13 25395.42 27140.28 63723.84 25823.07 8917.27 11112.75 5451.15 10941.32 30942.66 14835.57 37779.83 45752.53 83147.11 24488.73 25920.03 39855.64 23452.17 30194.3 13751.33 9380.99 12063.79 30565.85 7670.18 41131.87 15000.14 11633.75 6694.72 7591.09 23056.31 6913.81 8350.38 14895.61 13368.97 13992.4 10970.89 40191.94 5820.62 8897.73 15842.44 21167.9 14041.75 11580.64 16675.27 22317.58 3970.76 7944.66 5114.97 2642.95 6892.24 4339.09 5547.44 10344.13 7058.54 6968.79 4704.52 10707.07 10603.67 16709.75 13287.22 7402.05 7824.03 10960.53 6075.92 12662.98 22973.14 14405.26 15731.12 14034.48 13923.39 10456.13 14622.55 13934.2 14652.31 13972.46 Glycylmethionine 410.82 1438.86 8277.93 3781.06 664 374.45 2463.45 2692.14 345.03 2030 2809.41 702.14 357.16 5056.19 426.16 2432.92 5543.78 3220.25 1057.54 545.47 1382.6 318.97 748 1539.34 728.12 909.77 2243.24 1881.64 721.16 379.75 1421.36 225.9 1050.9 1997.97 1277.62 469.43 377.72 396.79 1418.52 1037.53 602.57 867.04 519.01 649.02 550.21 469.77 231.55 1171.41 939.04 578.86 587.02 1257.63 308.39 1180.19 1078.41 851.95 11528.69 4704.75 716.25 492.9 1384.86 1131.29 3257.15 1456.89 2714.23 690.22 623.64 1665.41 3186.72 458.68 389.27 394.45 2463.78 3185.2 3870.9 2823.57 3167.14 2820.79 2777.55 2998.55 2901.75 2079.03 3018.85 2947.33 Mefenamic acid 243680.21 85452.19 37625.4 23518.66 161132.08 122204 27809.97 322976.88 251287.27 298917.82 51820.29 288367.25 66389.58 55743.11 149903.42 157673.21 54750.67 299597.96 240430.77 268778.64 393993.11 73167.27 27260 45091.49 419179.14 369368.5 185462.35 247027.65 586818.47 216992.74 491412.63 223203.13 257275.32 39676.9 34262.16 416142.08 251341.06 31002.81 115450.83 64195.76 401479.75 575050.6 36998.98 50280.74 420035.17 61743.83 468469.73 189219.68 347644.71 460458.62 391520.41 134311.52 34633.26 57843.36 190162.34 93193.72 18064.52 10278.74 329924.76 47855.03 17180.34 25304.39 143296.63 25149.9 64857.8 341516.27 117688.31 116795.81 156897.49 279021.44 340121.3 111301.78 100773.83 41393.8 61558.76 157271.83 156367.91 169589.09 154564.48 156438.98 155677.55 156116.81 159235.3 163118.11 Phenyl dihydrogen phosphate 5001.91 3539.3 743.62 3903.83 6970.66 16721.11 6157.12 5101.44 3311.02 5274.93 8837.66 5803.99 5011.36 3477.66 2461.42 4039.94 1419.75 3875.59 4004.58 6178.68 5584.64 12053.12 2938.27 2692.8 5629.66 5614.61 2636.73 1832.16 4535.53 1550.97 5059.27 2792.16 701.09 1600.95 438.06 3218 1387.32 13226.03 1433.9 2437.61 4430.43 3713.31 2444.36 1656.13 4445.98 1821.58 3718.39 705.66 1060.27 3888.26 503.61 2987.06 2704 763.29 2028.7 1056.83 1909.8 584.63 1051.98 2169.2 547.79 1616.89 521.57 2645.46 716.22 3564.47 6157.37 1123.74 629.73 735.78 3883.71 4426.42 2227.15 505.98 1136.33 3245.89 3355.18 3403.67 3245.96 3246.77 3278.09 3412.16 3272.42 3408.47 Floctafenine 510.07 1147.89 3402.89 1863.41 889.57 1072.35 2043.4 1096.77 1025.83 12796.84 11096.21 568.47 226.17 505.4 2164.41 1628.35 19649.89 5580.6 9686.94 7355.87 880.24 5932.72 12277.87 1494.91 1714.01 2623.69 18760.2 4645.38 4870.48 3031.8 5274.97 1125.18 2939.04 7785.16 6086.24 3262.53 8988.27 24434.95 4096.12 9091.89 418.65 4366.55 8302.5 1001.18 11934.26 9166.03 13568.37 1534.2 5843.56 3927.45 20453.18 1942.64 15112.03 19723.44 24700.44 775.09 879.65 12206.45 2479.54 10201.03 575.1 723.83 6093.22 19846.23 9930.03 3194.29 1075.7 963.2 1289.79 4252.59 3496.08 8416.57 10346.11 22394.44 6346.02 15379.73 25945.05 13490.14 17095.59 8387.59 19162.19 22299.56 12337.14 18161.27 18304.86 23132.41 23007.45 20147.96 16800.22 18367.34 19751.0 23075.03 22441.91 18822.71 24302.84 28940.43 23300.83 27063.93 26072.44 36657.22 10047.67 9756.22 9203.38 10234.35 9041.41 8813.13 12699.34 6351.51 12376.14 3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea 3738.57 9954.28 3222.23 5880.3 25458.53 748.49 48070.69 19492.19 20870.12 18235.14 55732.94 86867.84 65697.12 68269.12 16822.19 65769.79 32286.92 24239.38 63121.44 10139.97 21558.79 11605.65 19797.28 27990.52 12649.68 20719.35 21298.23 17936.82 24671.42 13031.6 22566.61 24456.56 5925.11 25114.21 6822.9 9459.59 15815.54 10877.34 20215.88 3461.43 9067.97 7631.68 7580.57 21173.49 15080.19 47271.03 31946.66 60704.78 30142.49 65590.7 6730.09 6902.87 26150.8 25839.54 6359.04 5926.86 11146.36 1748.86 6365.7 7412.25 9548.21 3164.44 4040.65 13839.17 16924.61 16815.79 21823.37 26882.12 35527.04 8560.27 4145.95 11239.25 28496.44 2760.29 42850.31 19408.86 20355.16 20581.66 18922.4 21009.16 18151.75 20570.61 21901.42 12996.08 3-Hexenedioic acid 57719 129295 15845.82 64411.13 39161.99 130819.23 88258.03 92421.66 194964.53 107919.66 312682.49 88751.74 23453.4 82482.91 77419.01 186070.82 107771.85 128341.44 127404.61 62857.77 50734.25 49790.12 18601.1 83939.98 84797.72 144153.79 51910.62 63683.26 111041.87 19255.47 224470.04 87447.09 32196.57 26665.51 11778.54 43452.76 122081.21 157954.95 18227 60444.24 103062.71 47891.22 27931.11 78506.74 252566.55 44699.33 88783.4 75695.75 24012.63 131982.81 28770.3 65204.59 104282.24 124110.99 44415.78 31965.59 13420.24 56493.47 106525.27 25467.81 35145.03 26611.3 16475.1 38407.31 89878 70293.06 81236.85 40652.88 101646.65 69746.17 240860.94 81042.22 156813.75 51446.85 92810.37 114677.09 115849.11 114638.69 113799.51 113782.76 113783.13 115070.17 113797 113817.7 Nylidrin 93.06 48.92 49.68 5045.9 8137.24 13138.81 13364.65 44.65 66.3 194.56 145.78 208.79 7363.33 69.37 177.95 1532.24 444.39 67.53 434.48 244.73 98 1363.88 50.84 56.92 198.46 1191.54 2509.67 136.96 88.17 83.72 85.59 263.82 153.81 301.26 115.23 142.56 135.02 68.14 101.66 260.29 6733.42 944.51 159.89 75.57 131.86 10616.64 128.15 141.41 108.01 298.22 1854.1 55.11 206.28 1644.97 2393.26 85.29 637.5 35.11 274.46 346.55 91.59 160 195.77 282.48 81.54 398.44 100.12 46.38 90.46 97.14 143.69 154.5 51.93 221.96 1542.32 2946.46 3200.89 3275.87 3013.61 2918.44 3145.51 3196.93 3081.49 3025.79 (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid 29962.95 17060.35 675.9 3928.64 50238.44 349.31 2948.32 29298.83 4466.63 24302.19 7664.11 63025.91 41595.62 21313.56 21376.22 16185.75 4965.39 90257.78 25438.22 8368.39 28012.16 1368.63 14866.41 1297.08 33258.15 33082.03 9194.8 26249.87 60619.2 26515.84 16101.97 3616.61 14968.99 15797.24 11770.74 41024.75 6011.69 14809.51 11944.2 21113.35 88007.8 71688.15 13259.48 9846.98 54931.77 38340.69 14761.3 12383.81 15060.82 34784.57 23901.55 10370.61 17443.04 38300.1 20550.58 55335.99 2586.96 3531.99 11520.61 9389.79 1009.77 34692.87 13942.97 2694.77 30478.83 71557.18 34701.23 34663.05 14407.79 4665.88 4254.16 24996.65 12847.5 13286.11 2618.21 27357.88 25695.89 29712.93 25692.79 26013.96 26984 26793.53 20968.69 28965.42 Leu-Lys 2471.95 1816.25 4216.52 6771.85 4259.24 3279.58 14374.56 1553.53 3444.67 4496.93 15018.38 12197.29 2497.03 4410.89 3523.49 17562.85 6919.5 4750.27 13165.54 2323.19 7165.49 1940.77 8304.24 6969.95 2561.41 2163.45 6415.58 5608.52 5365.2 1496.08 4063.72 13154.97 4684.47 6188.57 6255.04 4838.65 4808.22 1669.27 8408.31 5335.01 922.4 4062.8 8686.03 7444.44 4550.46 4077.5 3653.78 11566.83 5667.05 20717.35 4497.38 3289.08 9600.01 11926.04 2709.61 3447.22 6217.21 4060.18 3623.34 1757.48 4214.55 4666.09 2840.61 8966.09 8191.6 2285.85 4787.37 3704.62 11854.35 4367.88 3543.09 9624.07 10965.17 12204.85 11446.92 7049.39 7129.01 7862.74 7122.78 7415.47 7766.45 7100.33 4716.56 7858.04 Palmitoleoyl 3-carbacyclic Phosphatidic Acid 2025 8156.81 7447.67 3910.77 12213.07 1978.69 4543.73 15182.14 16069.99 5881.33 1855.04 1851.82 928.02 1235.05 16043.21 11093.71 5652.34 15414.4 17374.47 23652.73 4397.25 7806.93 963.71 4110.9 26945.69 23414.55 3746.42 1392.45 8291.1 1701.72 4228.75 6891.74 16862.91 1315.78 1794.8 13857.54 14012.03 737.73 876.38 6970.67 3758.48 1182.9 15537.57 1804.69 3193.68 3264.51 12683.05 3037.09 3096.2 4826.68 953.86 5302.27 9057.26 9512.41 7402.31 11550.48 3917.33 4550.54 15104.13 3035.79 2645.37 1153.11 14256.6 6430.56 22003.2 11880.84 990.23 1403.72 1435.92 17437.96 24002.95 2084.14 5736.85 21718 2331.16 7266.3 7945.46 7260.39 7630.66 7268.38 7266.34 7729.98 7584.13 7334.34 S-Sulfo-L-Cysteine 15117.87 9074.51 21894.93 31590.75 11060.08 7603.5 15303.77 7325.78 3963.29 3490.76 17775 11494.68 23105.29 12830.12 7772.76 9917.5 10993.82 4263.53 5254.46 6390.76 4998.07 14256.1 9025.53 13902.13 4338.23 829.95 3776.58 4075.09 6372.8 1520.77 3434.27 483.25 3662.88 4486.02 5032.84 1368.73 4582.52 803.63 6137.04 8528.79 4281.26 1067.69 3952.87 6273.21 1424.26 6921.68 1543.6 5049.78 7372.6 5002.74 3751.81 4467.94 5030.42 9241.56 4865.14 4933.89 9633.67 6854.58 4647.78 3908.44 8814.73 7449.97 6686.44 18925.65 6698.9 4307.34 3224.06 6074.6 8726.44 4663.83 903.64 3167.55 5137.72 8850.91 14334.65 6365.56 6731.63 6345.1 6336.89 6220.27 6339.41 6038.43 6224.16 6373.41 Terbacil 2051.21 138.81 56.3 122.51 6486.62 1153.4 692.54 7400.2 14083.49 440.56 167.18 1169.21 72.37 83.63 9256.83 1072.14 941.58 17260.16 486.1 107803.52 1746.61 294.39 140.52 211.07 6543.72 13225.85 191.05 73.24 1676.72 49.63 1954.85 616.79 76.46 2442.86 88.43 1530.84 7963.69 752.7 72.14 556.81 9965.17 757.29 110.75 70.56 115.05 657.56 589.81 129.46 36.31 321.48 71.24 99.93 39.33 151.85 421.85 107.32 121.33 97.27 2745.98 2931.13 74.32 2033.23 47.47 66.02 140.31 730.98 696.93 150.64 297.17 6529.98 32653.74 659.8 712.67 476.63 694.58 12372.36 12441.43 12200.26 12241.23 12180.5 12327.54 12200.67 12379.71 12282.22 Diphenhydramine 80042.96 132529.33 65419.06 74440.14 84240.74 103871.71 89996.22 110387.82 108667.98 99414.06 242862.5 101794.19 29352.23 81938.05 147000.17 136327.43 206666.91 143233.29 90440.59 196643.26 94410.83 102168.42 84518.71 79974.29 145483.93 148232.88 164204.87 110382.84 189642.71 253327.72 203825.31 101901.21 512814.55 57971.38 148001.52 113093.95 210484.44 246321.77 92642.73 267654.16 143606.98 67484.47 138554.34 133506.22 59838.35 60242.86 198887.47 292720.32 74127.09 149919.83 101038.56 208516.14 125156.22 67362.82 88547.97 214016.53 233624.2 148906.09 258615.71 151814.55 192126.67 90116.61 212647.6 150863.33 213927.14 80442.62 196476.43 84626.94 191741.45 348306.06 215719.37 255030.44 283347.36 144925.67 82124.3 138293.3 140630.36 126551.55 140339.33 127040.98 140343.74 127360.21 142282 140482.27 4-Hydroxybenzenesulfonic acid 1786.52 3450.34 6383.78 5146.57 3864.38 9148.27 4299.74 1908.75 2838.73 1506.88 5503.18 2463.27 3840.24 2084.8 3097.54 5902.47 5303.96 1319.72 895.92 1832.79 2466.25 1721.61 1430.02 2017.49 504.06 799.72 1386.89 523.6 2100 1982.7 1382.77 2051.75 1715.02 1456.03 2237.97 650.15 532.75 1024.01 1949.72 840.45 1069.99 1712.3 1393.66 1068.76 915.78 897.6 1480.38 2200.31 1043.38 1344.54 536.24 648.22 560.96 2986.12 1843.96 1738.32 6920.02 1534.21 601.25 1114.24 520.46 1329.12 1308.12 2204.75 1661.81 1294.25 2586.92 1550.06 1571.01 1449.45 1813.63 1091.8 992.33 2701.83 2720.6 25338.4 24322.9 25092.38 39616.5 26324.3 19751.87 18452.76 26410.8 11184.95 21600.2 14414.19 18622.12 20199.5 28081.57 10945.12 25490.51 22625.14 18259.23 25130.0 32477.89 24934.82 21259.69 25547.97 17053.3 21430.44 1683.24 1929.67 1740.98 1509.87 1672.99 1206.04 1561.75 1469.15 1685.8 N2-Tryptophyllysine 168546.14 326591.86 104380.77 162732.53 170637.01 290122.54 98013.86 151452.42 178494.45 126303.8 98230.09 190760.99 397167.47 375322.16 211147.19 115430.71 96470.44 588129.58 211675.18 248696.16 114128.33 123112.57 68238.23 102593.27 90260.84 238568.79 38689.58 86211.65 183316.56 105806.03 507255.04 724280.98 136519.72 107400.8 31266.41 143764.86 68846.55 131509.1 46939.85 58942.67 392694.72 773734.56 75513.75 94592.86 415081.93 195091.87 146851.29 117824.75 214430.03 569916.2 201074.64 379934.57 94638.83 207486.72 125018.46 341906.86 84366.65 62885.24 69773.96 87833.55 41058.92 38566.35 127434.82 18741.75 107277.73 219478.11 525197.21 81257.41 108792.62 79492.21 121497.72 85228.67 85215.52 165304.94 98577.88 195881.64 195967.93 199853.86 199281.58 193712.01 195855.96 195978.56 197245.49 199076.81 Secoisolariciresinol diglucoside 13219.88 15017.78 75655.76 64206.78 22027.57 779.09 752.65 204754.58 114887.16 629.27 665.16 45760.31 73847.06 41264.39 144923.25 1670.81 4724.64 6574.94 11171.15 718.93 873910.45 894.5 74636.44 41610.8 21323.88 637.87 64453.9 22018.36 350936.11 788.73 19739.35 659.49 64845.51 62004.65 70150.47 89765.13 38442.17 92543.18 45309.88 5970.39 1561.94 55493.68 62357.97 45281.45 66444.16 34137.68 45268.89 106136.41 13717.41 27732.7 65226.03 49524.24 43476.55 79353.22 45347.7 1720.25 93333.9 58889.5 43143.44 57270.5 49024.22 45113.61 890.7 15170.7 121779.9 658.08 26403.65 16768.41 939.51 1993.77 23080.37 43914.55 12031.85 50458.54 3674.71 38285.57 36323.14 34605.12 35695.2 35587.15 35498.69 35622.03 35517.09 36371.01 N-(2-Oxotetrahydrofuran-3-YL)octanamide 14357.7 9553.25 8933.4 23825.51 18276.35 8091.94 26633.67 14713.22 9315.21 12105.91 14658.33 20014.8 40556.28 19475.22 9584.78 28739.85 11157.83 9948.43 33733.94 6272.1 15972.91 1143.29 24357.07 29240.72 10842.78 11706.92 14908.94 55134.84 13828.49 8714.98 8296.18 39195.93 18686.69 24782.91 21076.78 16756.81 5757.86 4378.85 18889.36 17691.56 10729.63 23750.41 23427.26 11269.01 13929.4 28507.32 11286.05 76799.18 17946.11 37582.82 19703.6 6793.78 22796.51 30783.42 14163.38 11303.79 8244.27 5838.87 9601.24 1538.88 13466.32 14358 8475.43 15236.45 18341.67 10984.86 7356.16 20354.2 17039.01 15000.48 10953.34 25867.74 13748.17 25530.34 19172.92 19604.62 20319.92 19447.21 19850.46 21802.04 20101.32 19617.17 20757.63 20796.75 N-Acetylproline 92300.97 73225.07 122244.04 206513.97 141644.75 89158.96 135425.59 42228.67 34268.55 49119.2 61241.16 193414.38 506725.43 263942.25 75112.62 71251.8 50782.17 82628.33 69530.88 96656.11 84271.71 18469.93 154691.49 95381.82 74919.23 26089.39 49390.15 58418.37 82426.95 22336.26 46224.75 26402.18 16838.56 92252.03 82254.63 77899.53 60024.83 14713.81 68380.9 46927.49 71497.49 80772.25 44740.13 90602.49 67706.39 85461.64 46390.58 50058.34 53779.01 78670.29 44746.49 99104.39 68847.53 116298.51 87895.88 129941.21 199534.84 62778.87 38922.03 35074.1 51239.44 109004.79 60241.63 90790.06 37513.92 102241.32 53697.88 64162.16 60059.65 59769.07 25868.83 49424.33 39672.65 85073.32 120739.38 91740.61 89532.87 89295.48 88033.89 89654.33 88026.06 89651.41 88436.04 87749.15 Pyridoxamine phosphate 672.21 2309.97 19192.03 14215.12 1828.05 1616.91 4466.13 4168.93 3904.42 1176.25 5306.32 3133.49 5571 3835.23 4111.18 3783.07 15330.51 1652.42 1456.92 2313.34 793.41 1245.57 4384.78 2782.98 771.44 3212.08 5276.97 3288.08 447.61 4197.21 738.38 5800.64 1149.89 6276.07 7064.95 475.61 3964.58 2116.9 9909.58 8223.92 10536.57 2389.35 6772.14 8038.13 449.03 10896.98 2401.89 3805.96 442.89 7777.15 4812.68 5007.13 9920.96 15406.4 9023.19 5454.77 31524.79 31804.72 1886.32 9543.57 11237.69 5627.87 13404.41 26243.25 10552.62 7143.63 2751.03 4938.8 6777.33 6016.35 3392.91 2752.41 14713.47 17162.25 15536.58 5260.83 5654.06 4374.91 5311.91 5290.05 5457.2 5612.42 5616.14 5180.67 Phlorizin 487.09 3325.75 2616.25 444.95 18638.55 908.78 752.57 13773.3 3634.45 2315.3 3389.94 1923.4 2030.1 366.22 991.52 1848.12 3194.48 18184.62 6928.24 4136.28 5415.35 925.64 1730.13 3709.23 25298.54 3240.56 2146.67 9332.94 11513.37 4441.97 6762.75 4898.83 493.26 555.68 343.02 16705.14 3757.66 632.48 935.39 5769.95 6679.84 11999.77 515.49 1849.79 5278.11 929.16 14062.06 504.76 1005.24 6900.9 8224.84 3127.97 1877.77 4449.14 18253.47 2864.03 1141.61 1833.59 3638.22 1266.98 3357.93 2677.1 3537.37 2589.08 1279.21 9601.31 1474.98 1377.76 580.57 7376.87 1966.26 1285.51 11305.97 1951.66 2303.08 5791.65 5800.7 6475.07 5803.75 5860.37 6287.43 5789.58 5852.84 4269.71 Practolol 12816.46 8117.92 9600.23 9793.52 14614.86 27884.81 15231.03 12361.45 10258.45 10485.25 24622.66 34834.07 24069.89 10828.54 7638.7 15100.63 7400.17 6793.92 20002.88 13141.61 11435.61 3859.69 14063.16 11784.53 11984.25 13804.71 12106.9 15633.47 9025.76 7151.8 3269.34 10283.74 3931.99 5702.68 4724.93 6683.63 3878.63 4439.73 3280.83 6500.1 8083.58 16387.23 3849.33 4028.92 7437.08 16315.22 6628.28 8782.34 10335.7 17425.44 9090.57 3022.39 5709.36 13086.12 6461.69 5214.16 7845.59 4643.01 6947.08 3891.1 5619.71 2930.56 6463.03 5418.79 6621.82 11491.1 10648.53 17446.66 12395.26 7936.09 5392.25 8586.85 5719.68 9303.64 8344.07 11319.11 13254.63 15637.39 12212.04 12225.98 12516.33 12436.04 12537.46 12551.9 5-Aminoimidazole-4-carboxamide 30590.2 26345.68 26499 29358.48 24208.84 28555.91 16559.03 27785.34 19676.31 19999.42 25301.29 25026.9 28287.37 30729.9 18454.24 18854.2 23237.3 15929.5 20210.24 17370.58 27332.66 21455.65 33293.29 30852.55 25188.85 15148.41 26717.55 22176.44 22665.03 25772.92 20840.16 37111.39 24410.71 30240.47 33778.77 26359.68 29965.2 21594.23 27561.01 20290.36 34711.03 13315.73 28325.85 26134 35635.27 29359.07 28685.08 26192.52 29835.73 23784.29 36572.15 26261.94 33650.51 19280.51 16744.94 21121.29 22958.48 21392.14 22139.18 24430.53 26618.02 27570.12 29570.91 18507.15 21110.51 23306.27 23158.62 27335.74 25213.81 25789.43 19344.18 22646.37 27108.17 13629.77 25738.17 26047.79 26072.04 25092.92 25834.77 26017.27 25523.01 26115.92 25399.8 25518.09 5,6,7,8-Tetrahydroquinolin-2(1H)-one 114362.2 89169.07 59459.14 41555.66 38224.18 103555.52 64980.57 3786.25 45178.99 75765.29 31217.32 97313.65 104233.57 99722.43 121329.81 111554.08 67985.28 159682.08 56715.85 65089.22 89712.65 147382.7 88401.64 74010.52 38454.75 42491.73 50636.65 62253.85 91950.84 77821.07 47127.51 105556.14 56791.86 58088.1 42756.69 54159.39 7560.91 89744.01 120631.06 48414.04 52155.87 66095.93 49800.26 25916.69 115476.2 37946.45 178003.03 50398.36 85206.75 116836.3 90181.8 141560.37 61532.3 60571.95 29556.83 129807.77 50790.82 53215.72 134960.82 79670.15 58317.41 184809.96 112540.6 90350.14 82013 39429.43 99679.88 87593.72 71071.01 4737.83 93457.39 147587.68 28669.79 40035.61 70679.85 81302.71 82076.79 89610.45 88065.63 87947.24 87984.73 81017.45 84603.29 88587.66 3,4,5-Trimethoxycinnamic acid 34162.31 24037.25 2341.2 9491.97 46714.34 35832.03 25889.96 54406.27 79327.64 33540.6 22579.27 32813 22287.48 10891.96 22441.35 21053.34 6519.4 26897.79 25121.8 37982.87 58740.81 37098.01 13425.21 12610.58 45547.46 25530.78 11993.79 12486.48 38834.88 4987.57 42018.65 18902.31 11912.51 8472.27 5161.19 24964.04 18610.57 17860.13 3380.47 2778.57 12854.52 30825.3 2008.94 7017.22 27745.27 11560.24 35678.56 17492.6 12418.57 4931.81 20623.55 13689.82 2759.05 798.75 4590.77 7433.18 3789.91 4460.88 18971.52 8267.69 2083.9 2869.88 4559.19 1427.97 8123.79 25639.32 27039.15 5323.96 7037.21 22311.22 25872.53 5957.34 4961.04 6258.75 7738.83 16125.9 16607.85 16241.84 16525.31 16209.05 16515.95 16198.83 15389.2 16505.95 Dehydro-L-(+)-ascorbic acid dimer 4056.58 615.03 1566.41 748.03 2375.52 430.6 2127.17 11132.62 2450.44 1063.55 2590.36 2907.04 7647.8 1214.28 1892.24 737.66 1978.18 7670.29 668.42 2404.25 2464.43 424.47 448.41 507.31 3376.31 1910.74 558.3 2588.81 532.03 2362.93 1773.81 981.52 647.53 1602.95 1229.24 2436.3 2459.13 867.2 1566.2 2261.04 4959.6 4386.85 449.59 1816.88 1227.88 652.06 547.69 1125.44 1291.41 680.98 1380.94 604.9 1512.91 2535.37 982.05 1228.14 668.2 1390.25 1329.52 1423.22 1804.14 2250.82 1176.33 1382.36 928.01 1809.46 2154.64 1410.57 1258.37 1640.11 1317.13 1213.79 1210.56 1499.25 532.42 1932.82 2015 1975.81 2010.61 2141.48 1933.17 2013.04 1935.31 1937.97 Cromolyn 602.03 40051.9 2511.42 535.78 1310.16 12383.97 9169.01 557.56 6252.27 24521.28 13144.88 15926.4 9290.57 12535.33 2145.3 23093.51 465.96 1789.33 9494.65 12514.11 7305.39 27449.59 8044.99 1197.64 1183.15 2307.14 647.87 341.73 12571.8 30251.61 459.43 13020.27 125811.18 7920.58 6407.48 452.38 1376.14 41903.34 318.02 1532.01 10173.52 2421.52 8570.14 15501.27 5436.85 1476.22 919.26 324.89 482.5 1453.84 1721.9 30061.67 753.06 1197.86 978.69 21333.56 2304 5919.18 11960.31 32884.28 18285.59 4179.94 3849.34 7567.36 8952.28 1542.09 2513.87 295.08 606.15 13061.01 124741.13 3166.09 2068.72 11141.62 1194.3 11548.44 11755.26 12030.62 12446.51 11835.69 12032.75 12030.51 12048.1 11825.33 Bimatoprost 2458.29 1202.52 921.17 2256.75 3461.77 9529.95 2347.95 22425.87 22611.14 6996.95 35444.18 10777.55 16454.23 438.81 769.59 5199.06 1594.7 8602.61 7184.89 4378.09 7663.56 3863.3 4008.42 2756.58 11942.04 4026.41 17582.89 28747.94 4038.97 4840.72 2194.95 36978.81 31666.98 53536.5 41992.01 1337.64 4707.95 10346.48 8538.72 38566.06 2821.28 5998.42 29349.58 7719.53 1689.75 26257.8 7037.05 2773.11 15788.56 8379.02 30698.19 19382.87 50283.53 51125.96 1869.09 4200.91 9642.96 10549.02 2863.42 8709.64 6830.52 1305.95 7407.39 41235.36 21097.53 32334.17 21782.59 807.8 1183.47 13315.59 2450.1 2418.69 25101 35270.24 15506.54 15842.92 15538.49 15767 16127.02 15893.69 17339.88 13884.1 13962.05 11635.94 7-Hydroxyprochlorperazine 3544.86 15616.35 465.27 17117.51 34202.57 118511.4 58455.55 1639.54 16598 6220.15 26119.65 18229.24 21279.06 13476.15 21412.04 3374.04 55130.46 22249.05 1122.21 3682.71 15911.42 11327.2 26923.75 19987.1 15217.5 3658.87 40575.91 38742.07 11039.3 4946.13 2782.97 8540.58 14719.67 5924.79 2122.64 7939.27 3983.7 90695.43 9805.67 2225.87 14440.66 12131.56 3682.44 7704.54 30958.04 2569.87 24072.6 14488.29 17021.09 44786.83 66743.94 19505.58 39414.78 24367.55 10047.93 26330.96 10179.86 45314.15 16204.51 54367.59 13224.73 2912.71 17751.36 108107.44 15223.55 8820.14 3830.61 2416.61 16354.27 834.58 767.25 22804.46 5777.1 20722.3 2738 17110.35 16845.92 16364.54 15738.76 16374.32 15097.12 13100.98 12491.62 19790.43 D-Ribulose 1,5-bisphosphate 5111.22 6766.78 3420.87 3898.55 6860.87 4391.02 2849.71 4142.89 6437.77 856.57 3217.35 5200.4 4444.36 1403.55 10654.5 5360.36 4990.71 7187.66 5058.93 18166.16 4305.66 2326.84 3927.33 2587.14 969.61 3325.08 850.41 768.28 2763.46 1929.01 3519.93 3041.14 6832.05 519.62 610.21 3389.89 3890.1 1629.84 496.15 2781.87 976.92 4196.26 1180.61 1707.76 1447.42 1093.5 4450 2985.73 2999.52 8276.53 2834.95 1200.21 971.97 1490.63 2819.14 3742.76 2257.81 1968.47 4902.42 1189.97 527.03 2451.86 4395.37 1245.62 9753.26 2688.31 5134.21 1851.62 3873.11 6416.19 6747.93 3065.13 5482.07 6666.84 3730.5 3884.51 3854.14 3893.82 3786.76 3893.4 3891.78 3645.82 3825.03 4076.34 2-Amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid 370.11 147.4 145.65 74.77 903.01 203.28 886.32 1073.9 1874.38 213.4 212.01 231.2 138.57 195.72 880.26 78.62 127.91 1832.8 170.74 14051.01 178.65 127.62 170.79 269.91 504.41 1558.97 130.27 187.58 206.48 68.79 202.93 85.49 115.76 94.16 102.35 151.45 811.7 140.37 72.07 121.22 1212.81 156.28 79.72 90.09 139.57 110.18 156.41 67.81 67.6 811.67 73.83 397.57 99.96 806.1 88.26 107.75 102.35 498.86 259.75 93.9 385.41 86.81 73.92 79.81 94.95 129.01 110.64 153.64 123.01 627.91 3313.76 108.91 597.41 86.66 810.64 1388.52 1390.68 1374.73 1388.79 1388.41 1363.77 1319.67 1375.48 1389.01 2-Propylphenol 28664.51 23535.97 34187.06 39834.87 32308.95 35682.01 48654.16 31900.05 30076.3 44635 72199.52 76886.69 64245.24 41837.62 30626.74 77059.47 39640.91 25918.22 65086.26 32787.67 28498.32 15092.83 58264.76 50542.99 31634.3 26555.04 65628.66 71720.67 31697.61 30549.08 33864.66 91452.17 20744.31 50947.22 43121.84 30846.2 29019.61 20009.19 47714.23 37895.54 34658.48 52627.02 52379.58 31527.25 35236.84 42378.93 28540.28 48826.07 42894.94 91888.08 30339.62 26842.48 47691.04 57771.72 20391.13 18030.59 22628.26 28659.82 28693.33 9876.7 29722.54 27597.73 19500.69 35851.07 44744.35 27856.65 35969.18 43715.28 45282.23 29580.83 26135.51 53047.32 39235.99 51856.9 52617.74 43241.55 44227.31 43235.63 44499.76 44355.42 43526.14 43554.32 43236.49 42727.02 2-deoxy-5-O-phosphono-D-erythro-pentose 36246.7 74237.48 24506.65 7449.55 13659.51 93269.94 7058.56 28797.92 62953.09 28551.89 10507.16 27079.56 23821.34 33634.34 63578.58 21707.38 20753.81 49263.19 39816 72862.19 43598.49 104773.98 11709.01 9038.18 21466.37 28623.5 2482.13 4952.07 150744.52 2979.81 55673.64 19210.2 29899.13 10973.45 5844.79 29748.28 3740.78 16954.51 2923.1 1996.79 6410.85 22935.12 8030.44 5777.87 35236.73 15091.56 63195.2 22526.86 29074.41 36147.97 14515.43 62158.38 7356.06 9680.06 22854.99 25426.28 13284.84 6445.49 4562.1 21666.54 3268.92 3879.56 28583.73 3563.2 16426.92 24570.81 68763.03 8704.73 8510.5 14386.6 12750.4 8369.58 4491.18 13957.61 9793.15 24841.16 23847.68 23036.05 24433.12 18915.15 23741.81 25531.84 23828.9 24989.8 Dimethylarsinic acid 550.61 22573.79 3681.31 5247.31 988.23 10929.39 708.61 5012.26 9327.54 7605.97 522.06 411.91 7549.18 8602.9 38450.24 8280.25 21334.88 79266.53 4743.99 227689.29 3428.62 4701.5 5829.08 467.89 400.88 3146.45 355.19 9985.69 13696.35 14738.81 33361.48 6410.15 9792.3 4809.91 461.46 396.44 3153.3 5262.68 2389.43 587.57 6172.19 1127.42 1656.17 1382.3 11343.79 3906.64 32555.95 8730.14 4402.06 7927.02 1009.38 6260.31 776.65 670.12 3289.69 19263.79 5282.2 3520.44 7089.14 9293.99 5706.61 2159.29 13912.93 6436.25 22097.97 2912.06 35079.19 682.87 3465.72 6349.89 19452.95 2192.19 6074.11 6983.2 5536.81 9119.39 9223.24 9132.54 9119.72 9185.83 9119.45 9178.29 9119.32 9216.44 Platensimycin 52479.04 5312.47 3622.78 6993.21 69869.3 94982.59 2106.96 24867.22 75496.96 12345.9 16200.9 21095.25 5373.22 3913.44 53881.93 33253.8 10115.93 44368.39 16317.57 125585.66 55627.89 19020.02 10162.25 8917.66 53383.41 61755.84 7705.18 12127.73 100089.34 8068.4 93402.88 47098.29 59967.5 10017.12 6950.97 52222.58 46831.51 34287.67 3939.52 5472.44 35252.77 78195.88 4548.15 7140.1 67056.1 10696.04 132717.61 12970.31 4025.42 42793.41 17489.76 50552.22 7252.11 13106.17 25118.88 33960.63 10536.49 4917.02 25207.58 22548.34 6613.81 2123.86 32611.9 3032.2 8175.96 39859.81 66172.67 6675.62 10275.78 43573.21 53820.03 26089.93 14138.88 15454.64 13548.6 31265.03 29247.61 30568.16 30555.86 29077.83 30697.61 30678.16 28548.66 20188.32 Tetracycline 154519.56 217470.61 85285.85 108592.88 112560.06 185899.73 69027.81 116792.99 151971.2 88427.53 91807.29 164688.7 218091.46 288485.29 163913.05 94597.97 68561.91 354895.41 209855.31 284749.46 106762.04 100728.94 77039.1 48463.59 84919.76 162292.24 30815.83 88040.29 171754.66 67463.09 458536.68 511326.86 84667.13 87304.85 66061.46 94027.61 61373.51 110417.64 46560.57 56015.52 290587.28 156284.33 78004.72 94432.36 324164.88 200914.36 147791.6 143173.55 172105.1 493348.52 177075.63 297302.66 47828.31 191547.7 120636.38 270758.29 44946.99 72608.91 67979.11 80016.73 27210.42 32711.63 94551.47 47688.05 70019.66 206347.11 467896.69 88420.22 121896.34 64340.9 99417.05 90059.08 82539.45 122197.98 95108.13 138658.81 137661.3 138628.01 131006.89 136283.69 122018.9 131160.3 137987.49 137778.81 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 26810.01 27920.69 21719.99 16638.4 17787.81 18975.03 16884.5 56882.01 21015.11 23415.4 25194.63 12262.67 13506.45 15254.19 19821.62 16686.38 19930.57 20761.83 5000.34 2589.13 18054.69 35627.7 18141.67 14599.63 18959.5 20838.24 17550.44 15729.29 15958.3 25377.14 11308.28 980.9 15458.48 8955.57 13855.14 13122.42 15433.29 13511.53 10642.66 29637.39 11348.73 10346.26 13938.4 12038.06 13630.49 9337.32 13528.01 13339.78 15320.08 4556.85 12877.01 13792.78 12308.11 12135.49 13217.45 3791.33 17573 14836.03 17796.54 15312.62 11644.57 10862.6 12970.71 10888.01 20135.22 10757.55 11888.98 12895.01 13871.41 14703.49 17542.54 12907.6 16383.51 11147.87 12188.99 13968.77 15138.67 14325.36 13966.14 14306.77 14311.39 14113.25 14001.81 14223.17 Met-Thr 9658.85 7896.36 2658.37 8926.59 4999.92 17291.7 7867.72 7590.13 9902.77 4299.04 9145.72 8229.11 5561.95 7481.69 7396.32 11690.02 3915.04 9636.91 7010.29 12297.83 4886.04 15602.33 3965.84 5224.98 5108.73 9026.53 1670.8 1873.94 2975.92 1108.29 4085.53 6451.24 2360.58 2985.32 2177.8 1717.3 3584.47 6056.75 1023.73 540.74 3374.43 4342.3 2527.19 1487.6 5982.22 2722.98 5169.93 3321.01 2013.37 9954.81 1960.06 2308.22 2510.58 3054.17 494.24 3083.82 3041.27 1396.45 1479.56 1704.05 602.04 2040.05 2207.38 5303.02 5008.21 3355.4 4370.68 3219.86 4289.65 4393.12 5238.76 4277.79 4678.26 2339.38 7188.7 4565.76 4690.55 4692.27 5088.19 4459.13 4453.68 4458.84 4446.17 4690.4 Acetaminophen glucuronide 63809.65 64866.81 7307.12 2435.32 57804.44 64767.72 11649.02 47965.99 70927.6 73623.23 49740.55 50014.81 33409.54 51435.72 71868.42 41564.99 23057.19 94064.17 97425.98 54491.16 55671.4 59684.57 55191.09 49643.79 80345.25 107930.51 55579.47 68420.72 87033.41 21110.24 64223.33 70743.53 63292.73 27761.81 30170.18 63598.62 62715.88 80863.88 35069.92 34856.55 74921.86 82387.02 35314.53 20029.08 94546.18 45104.86 72973.24 28792.66 14017.08 50472.86 53292.71 52835.61 35458.28 51213.51 104981.91 64755.97 19895.13 13744.72 56609.88 61640.37 28425.79 17674.17 53208.23 44894.93 41475.95 75810.14 89798.51 23060.75 39248.09 61340.64 87353.13 43499.83 30084.71 30346.12 53371.98 5464.23 4866.42 3903.31 2360.9 1448.73 4397.89 5389.22 5264.99 1013.03 3510.06 2875.2 3162.8 3908.03 4331.51 1383.44 4865.31 1110.71 5222.33 6603.06 2318.91 5708.62 6001.88 4580.69 5983.39 4742.63 60150.91 60962.48 59673.31 60863.25 59762.75 56835.23 60843.25 60855.04 60937.33 Ephedrine 32081.11 5121.17 3519.45 6113.66 16201.03 2342.56 3959.8 17802.21 25862.65 9643.26 30993.48 25876.38 34090.73 26562.66 11824.27 43556.5 10162.05 21311.34 33624.32 26765.95 36542.16 13068.32 15211.65 18631.89 55012.45 13094.22 15889.51 50935.34 23922.93 36527.87 52406.77 32814.46 11116.31 12149.63 12622.74 20207.31 31927.97 31897.34 29353.62 14061.87 29890.39 26844.19 13043.07 15597.5 43005.84 39907.48 11959.39 21790.41 47251.33 22492.88 25496.29 12413.35 20915.67 18880.08 22270.56 7847.71 3012.25 1608.92 34247.24 1495.54 18054.05 8839.28 7611.01 11129.05 27336.58 34890.2 24250.16 16763.84 16813.74 11137.57 20407.18 10856.97 32200.89 12120.57 16781.33 23017.2 12248.2 21694.35 23532.69 22747.8 21463.54 21575.91 23027.55 23432.38 BayCysLT2 30946.58 16013.18 6851.27 5824.4 8430.1 1783.23 2768.4 39004.13 16564.78 25406.06 18348.66 34396.51 6218.57 20631.7 8951.14 28699.21 12159.28 58502.14 20457.25 21665.7 20438.87 7454.37 14751.35 21449.83 40405.38 21444.29 8509.17 22888.72 20439.3 9472.46 10727.3 1995.48 4333.46 10613.41 12822.76 17441.55 20610.98 2146.56 4418.6 14684.55 8315.85 5653.65 5903.67 7809.86 16570.22 8123.8 28156.23 21138.44 11876.14 12319.83 23234.81 19323.46 9483.59 17663.48 24976 14007.48 7243.78 3346.24 11935.92 2405.06 5051.55 4272.07 23813.78 13956.15 23358.91 33010.58 20691.82 20189.47 32742.82 32486.22 19027.53 12850.78 31551.23 17521.31 16450.87 32312.02 27223.55 25917.03 25900.51 25656.4 25912.35 27328.5 25680.85 27387.18 Pentobarbital 4069.77 778.67 1816.98 674.26 2280.45 2008.96 863.14 1913.2 1939.79 2834.58 3898.1 6257.59 8497.31 4088.9 3825.34 3719.85 3007.71 3584.59 4195.15 4625.42 4946.39 933.67 4029.08 4854.4 3985.66 2699.66 1214.29 4624.46 6386.91 1770.07 5407.96 2517.08 786.91 1617.45 2305.56 5355.27 2740.2 1162.24 932.15 1971.57 4731.24 5624.31 2818.79 2759.36 3961.61 3922.8 6467.58 3140.88 4204.12 3771.95 2950.33 2392.07 2480.39 3948.95 2499.46 1196.48 1677.58 994.86 2657.68 900.32 1655.71 1013.39 2663.87 1995.57 1789.58 3579.71 3408.89 2579.53 3448.53 2603.36 1925.49 1524.58 1204.43 1203.91 4564.55 3384.03 3331.6 2957.71 3380.49 3056.84 3340.04 3335.72 2975.58 3338.61 (2S,3R)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid 2832.63 8698.01 2745.4 5421.33 3145.31 17915.82 4682.98 1258.67 4897.81 5229.02 5678.41 6008.99 3238.8 4817.66 5471.8 4930.35 3122.82 9857.22 3277.55 6912.66 5261 4857.24 4455.08 4018.23 3525.03 4252.75 1701.37 3602.43 10093.84 713.04 7195.95 8312.63 7733.08 3805.99 3427.7 3834.98 5156.2 5273.2 2832.96 2605.5 6901.07 4803.19 2312.94 3527.84 9176.42 4783.78 11228.85 4187.24 2318.02 2871.31 3517.28 7744.52 4753.46 4152.37 2266.68 6659.96 1813.15 1493.92 8593.42 3741.97 2034.22 2570.24 8730.9 2928.61 2360.35 4896.08 5669.67 1974.29 6156.56 5968.44 6257.26 6901.55 2036.4 7007.5 3309.27 6125.86 6141.16 5866.62 5857.42 6045.63 5866.05 6643.52 5996.93 6142.44 Bosutinib 5293.93 5273.82 390.52 36519.17 3751.43 1095.94 19690.71 2835.44 30344.21 18427.45 17841.07 36472.4 32890.81 15117.38 1261.04 6948.9 6819.18 443.29 17286.36 1176.25 134340.48 426.73 62897.79 32573.05 1443.06 1623.51 1233.04 35577.4 10656.81 3353.1 4578.39 2731.85 876.31 27441.67 9342.65 1860.54 5019.95 1079.1 15635.64 4587.13 1255.01 1925.07 1081.2 16286.6 3920.9 124446.28 6789.23 6880.23 29773.11 397.67 46472.68 27211.06 6555.93 38425.92 19191.33 605.44 3384.7 1804.62 5013.3 6108.3 947.96 8665.05 31950.37 3475.38 22217.14 41896.13 21257.02 5790.89 31389.93 617.35 2737.27 4151.18 4407.54 9736.76 43864.08 9125.44 10131.51 9819.26 9141.07 9124.93 8445.63 9922.37 4809.66 10078.76 Gibberellin A53 3093971.93 3255216.46 1515207.36 1499939.42 2166390.4 3174002.79 1354533.13 2781307.81 2730498.12 678422.33 2083381.33 1845270.75 4078253.2 2887864.54 1739983.33 2433709.12 979217.4 3672526.01 2672230.35 4930737.22 2968836.22 1073455.27 1143377.06 1204930.1 1784477.69 2604470.88 589079.32 1403319.33 3770970.57 1281803.16 5593771.67 5403009.58 581378.82 934420.34 984578.96 1750624.49 949121.14 2427448.8 753769.74 1118076.62 4255726.01 5051216.05 681419.9 1416220.09 4417973.29 2409879.72 2493830.33 2977538.5 4029161.27 6548578.16 6244105.22 3102045.46 1903258.39 2803245.76 1560438.57 2526582.25 1032930.05 1042641.36 683568.86 572801.65 1680607.29 698958.48 2399727.02 1088362.2 1601662.77 2733071.43 5311073.86 1561685.95 1612005.97 1811822.05 1972258.87 1501586.55 1458316.64 1837449.71 1058484.69 1816888.08 1838196.79 1828643.26 1814088.98 1794300.4 1829427.59 1808050.45 1810822.41 1808601.17 Cyclamic acid 1563.02 1972.69 4582.05 2457.76 5780.42 11330.44 17153.9 4682.36 3961.07 14275.39 9989.49 4038.03 652.2 1478.1 3277.11 3351.25 2121.74 6872.2 2332.29 15757.96 7302.42 9832.24 15161.11 14282.98 1941.8 13922.86 9131.17 8537.45 2126.06 5676.66 4820.76 817.92 2811.28 10915.96 5415.51 1763.3 4615.62 10735.16 5940.52 3850.97 3368.72 764.55 752.6 676.09 8242.45 4902.46 1486.49 1503.06 1817.1 1105.05 1914.27 5258.33 2578.45 1364.69 1746.65 3502.83 6567.31 1367.63 2064.33 5391.96 5103.51 6080.15 1080.57 1140.93 1545.54 1535.28 4468.55 3469.94 1053.57 1416.92 6711.72 11945.01 5032.34 1361.16 2353.05 5849.96 5630.48 5582.12 5858.97 5550.03 6533.15 5841.76 5444.08 4191.57 Flindersine 297221.21 119248.18 23917.75 30877.64 322450.73 105397.11 81697.6 426900.97 1372787.62 165104.13 100502.81 376539.91 147182.87 143880.28 375929.75 168610.33 71420.82 288356.18 168911.04 573812.37 615218.27 19411.68 92314.09 103819.01 381687.72 222976.26 99355.5 305807.7 459753.34 268858.33 600280.25 251851.45 196930.15 68135.82 47885.01 370593.69 329959.09 78449.17 86802.6 96748.6 488637.57 548282.73 51389.23 63715.81 386643.17 97541.24 542306.58 142681.87 268002.56 351182.22 278216.25 111932.73 60506.2 99907.23 234826.56 107389.9 38138.79 19108.58 420457.09 67201.07 62012.77 34168.87 113163.57 7479.63 121514.31 420109.68 368926.2 215535.07 268702.44 538299.32 606907.97 244640.15 308725.13 116335.94 153422.99 294878.35 285425.05 282025.64 294231.54 295093.43 292046.86 295098.49 282146.75 291451.16 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 17972.56 4841.67 26548.92 44352.87 14451.01 11343.22 52957.01 8275.83 10602.42 18642.89 41494.56 13018.1 16417.4 36781.21 23619.19 36979.53 23973.85 4110.94 28673.9 11579.54 12284.7 5142.32 44003.19 28796.46 13423.69 16463.54 32657.73 60543.67 14569.13 31647.03 3964.32 74306.69 6396.66 48962.2 41828.44 6533.43 30922.45 5727.13 38181.32 35788.48 3561.12 24557.86 21292.05 27273.79 10031.45 30302.24 7587.02 29276.84 30063.46 57747.88 9125.82 15043.41 43010.04 34057.18 8926.79 14303.59 31253.88 36841.23 5725 20534.65 25371.45 35315.83 8545.12 43420.63 44131.78 15147.73 29570.71 38790.09 46510.47 18038.53 18077.34 38697.56 39155.41 46373.64 48144.75 25190.52 32368.02 13088.87 18865.57 21194.67 19028.67 23608.79 28015.08 26306.9 32343.63 27234.01 35204.3 26700.65 23785.95 27576.0 25819.28 1017.5 878.07 23989.39 32056.3 35876.25 31296.58 22893.97 19819.24 18467.54 19430.32 18920.98 20565.68 19939.93 13841.35 21186.28 17409.28 Butamifos 39753.03 14676.83 5075.12 4180.2 63443.92 23092.08 6089.5 66397.39 70611.94 24593.31 11705.62 54053.04 9486.65 1169.28 21510.18 1066.23 4291.79 19909.1 1957.44 2523.69 4988.65 20397.64 4266.48 1014.57 32908.88 17316.86 433.03 740.59 38649.75 3026.72 21564.75 36565.58 28550.13 765.78 1546.54 12129.78 33458.94 25744.97 7039.89 350.61 1719.34 62802.34 5045.56 6368.2 47515.59 7353.6 34582.7 29477.1 11981.34 2622.92 48919.68 7827.29 2191.25 6596.59 27724.55 35439.36 4098.13 487.36 42205.23 24137.15 7870.87 4254.64 17282.44 975.67 6220.05 41368.73 64236.45 11042.52 8231.69 33476.71 45035.94 1330.29 1270.07 419.67 706.3 14531.56 14503.89 15817.5 14945.42 15173.38 16296.72 17534.32 11739.12 13536.25 4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine 284871.91 14627.41 2978.04 2605.66 23677.64 1885.73 1122.69 270306.64 5385.47 47057.39 7451.02 10070.56 2905.89 17321.03 33952.49 21013.53 13572.64 52474.46 24742.71 22998.03 63100.52 3233.29 13350.92 6921.35 252019.23 24220.98 14671.46 25440.89 102767.13 52797.5 118719.11 28266.53 202994.82 3405.75 384.79 81420.39 3065.31 4349.07 13243.26 4472.11 88310.53 107953.22 3835.62 8621.28 76142.42 2373.15 16745.94 18351.74 36516.78 49227.97 14164.54 14709.24 3483.54 447.04 22853.22 24509.06 1632.02 1246.87 9270.84 3855.01 5502.36 4473.65 9027.05 2059.99 16129.52 10839.78 28897.46 40552.19 42293.07 68613.04 83643.18 21396.27 17783.59 1273.72 3352.07 25470.95 26305.43 25425.47 24395.46 25543.41 24228.45 24988.4 28551.01 21835.42 Isoproterenol 15611.12 23810.37 8046.14 8623.95 20780.18 24679.17 8995.89 12214.14 17256.26 18916.84 15475.18 19956.09 17878.4 12153.23 19463.72 12584.97 13128.65 19097.21 15089.3 11533.65 22796 14858.96 11220.11 11734.55 11282.5 19273.8 12951.19 16016.09 16530.26 3441.77 10898.15 12604.98 11578.58 15859.85 16722.46 13592.13 17071.09 20880.5 12947.59 11026.92 14012 24896.86 17577.96 10117.09 25188.71 16562.31 13261.71 12116.13 7730.2 13624.88 13556.09 16411.73 15194.88 23472.44 15379.66 19892.86 9365.42 8916.89 18211.27 15808.48 8447.1 7959.93 12598.05 17620.96 12268.77 16413.46 19545.24 14001.22 12802.46 10939.98 7482.85 17158.65 6171.72 14250.06 16166.56 17134.72 19166.62 17458.58 17473.63 17409.24 17888.77 18342.21 17742.87 17850.59 Delphinidin 3-glucoside 6446.16 2919.86 17898.73 8224.62 5797.72 1033.9 5000.81 802.94 815.2 8294.11 6468.57 22523.34 4165.86 5724.24 1078.86 7343.77 706.26 8131 412.7 1726.54 15064.86 5175.38 50301.38 22001.65 2565.65 2054.45 327.81 19466.01 557.5 5608.19 24729.58 21263.89 567.29 1699.48 40487.28 7741.46 9433.44 422.23 5942.07 16871.83 15020.82 401.97 10803.3 553.63 5625.56 55767.65 28038.07 344.67 2248.37 852.18 5888.38 7057.41 52150.1 80113.37 1969.02 509.48 583.39 2603.56 17992.89 35667.24 8671.03 17860.54 42428.69 1544.52 961.31 11455.76 58376.39 4027.77 45090.35 8657.86 7042.21 15075.2 3267.23 7276.81 34543.89 11995.24 11631.72 13089.49 11316.54 12104.6 10242.38 11352.8 12191.34 8632.59 Sulfanilic acid 537.84 2763.5 347.62 437.82 2960.96 12543.91 4873.87 3771.19 5909.53 494.84 316.91 3544.79 1020.39 1967.74 323.71 622.79 2785.9 4074.94 2565.39 5013.74 519.45 100002.13 574.94 2629.24 379.19 3004.57 966.6 503.19 3244.4 7074.37 318.7 4758.43 1824.04 2020.45 368.82 2332.8 2603.09 4343.46 487.74 1997.51 2622.57 4853.21 2454.69 709.52 3864.5 2294.65 2990.66 2568.86 2777.59 6112.85 3347.22 684.83 497.81 665.83 394.44 2960.46 4365.47 2411.81 3688.04 790.9 449.59 396.39 360.92 3386.54 2606.03 435.08 2383.81 376.94 2040.25 2594.13 3496.42 7015.08 645.29 3519.83 408.97 4188.49 4133.13 4302.67 4034.28 4121.91 4191.82 4160.22 4130.15 4119.04 Glu-Lys 619.1 13611.37 8403.95 7733.56 8628.54 2195.6 6813.91 19482.67 25578.41 20353.66 5713.34 1256.2 1689.88 672.33 28040.21 14285.42 7850.5 16962.96 12840.75 31932.02 6539.41 3315.49 1796.28 3107.88 40451.1 29199.42 7544.68 1232.36 6471.83 1634.12 5515.16 998.37 41392.79 1737.32 16286.41 5714.34 2325.31 807.91 1527.36 30523.5 2742.55 5943.95 32241.29 604.09 21135.59 10870.14 4820.79 2323.95 4787.87 3293.25 4884.16 722.61 27219.97 22709.21 21356.02 11069.01 7041.46 2291.36 19563.62 4815.82 5044.09 2175.5 23191.22 17326.06 24641.01 6890.89 5934.2 3159.67 594.54 18141.32 30755.35 5737.72 13770.17 23878.44 3870.33 7298.77 8474.25 8240.1 7913.85 7856.45 8271.08 9244.63 4298.34 8128.25 7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid 316.77 1290.1 770.51 341.93 10526.58 4831.3 2458.38 7975.8 6075.31 1707.35 482.43 1739.69 953.91 930.5 7950.98 1378.19 412.42 2801.45 2548.55 4108.04 539.54 1012.74 584.08 854.79 7976.08 8910.69 1648.22 1234.78 4158.17 940.68 397.87 337.94 4188.43 879.1 1290.02 2410.98 1048.74 690.73 385.85 5156.69 1447.95 864.6 2877.05 459.57 480.32 750.32 754.44 339.53 396.88 318.46 2081.99 328.12 4052 4008.04 1336.93 1170.14 696.61 2363.8 2041.45 1431.27 1666.66 431.96 4193.5 6401.15 5741.24 1598.51 699.92 1105.66 1187.17 4248.59 5425.06 494.68 1308.02 7071.58 1377.93 59838.44 65053.51 71137.85 67623.7 59898.12 72764.5 70209.42 61118.76 65122.64 66542.07 61654.09 68019.91 61851.81 56926.89 54308.8 54649.22 70302.05 64153.02 63363.55 60520.81 67341.66 62888.03 58737.61 67538.63 49420.29 2323.52 2335.96 2462.87 2639.08 2308.43 2776.57 2208.64 2121.45 2308.22 Imidazoleacetic acid 5205.11 4268.34 5283.61 1581.05 3132.94 3008.4 7109.91 7170.43 7332.81 7247.72 15108.02 5171.5 8768.66 4662.77 9149.02 9601.09 1654.17 6014.21 5266.99 4059.76 5010.47 5430.81 7139.23 7731.79 6181.18 6996.36 6183.52 2870.27 4291.14 5570.54 2043.97 2242.12 2361.09 3769.42 3982.09 2723.61 4502.31 653.03 1581.69 1728.7 995.39 7648.63 5278.56 2482.68 5741.77 6428.52 2322.61 1162.49 1930.54 3048.13 4368.05 3148.87 3446.83 4852.22 2176.6 1951.43 1468.63 2842.42 3772.1 2423.02 1458.52 1912.04 4178.14 4707.32 2920.68 5390.21 3617.86 2492.16 1825.02 3439.86 1240.09 4710.41 3116.48 4577.78 5725.83 4508.83 4776.65 4330.56 4706.35 4590.28 4857.68 4883.06 4806 4421.63 Farnesyl diphosphate 1080.09 1295.32 6559.86 1526.07 1827.16 1160.22 3734.74 2416.05 979.47 1431.27 2780.43 2308.27 1569.27 1298.74 961.1 4930.66 7923.74 2656.32 410.49 345.2 431.98 1225.12 1293.25 725.4 2040.28 962.24 466.17 1152.87 306.01 607.57 723.43 2273.28 807.33 879.76 1067.9 985.8 1261.06 649.75 651.27 857.89 2048.2 2580.38 555.08 513.62 1446.22 2122.02 1362.03 857.38 1447.16 1385.52 1481.87 1130.57 1080.26 9439.49 6182.26 1013.31 642.61 8765.63 1075.5 453.73 668.84 712.08 1101.3 5378.53 407.86 1126.62 525.83 436.06 619.09 1541.24 1322.16 1221.66 2120.28 11441.75 689.42 2401.38 2060.5 2062.7 1021.25 1849.85 1906.82 1982.3 1874.49 1959.12 Boscalid 34502.66 25466.37 40344.04 45617.44 4291.81 40014.02 36756.89 23847.1 17644.42 33153.92 50324.99 44905.3 65708.09 34703.95 25169.97 44640.89 26511.93 15509.92 41515.23 1695.05 23455.01 4215.47 45351.49 37200.24 18553.53 14083.76 38334.71 43001.02 17002.96 28125.14 16295.36 35200.11 12700.15 27763.97 27590.74 18039.28 17139.04 5035.27 21203 23246.2 17511.64 20855.48 28425.91 22383.89 15045.02 18187.37 11334.78 38403.4 24735.48 36754.99 7934.28 13478.34 25417.31 19208.24 5859.05 8956.78 18301.7 5915.86 10747.38 1803.46 18115.09 15594.6 12190.31 5463.15 41331.61 5042.64 3394.77 22050.12 26498.38 19691.55 12160.9 26792.42 19012.16 12512.22 24688.92 23189.7 23057.67 23216.35 21657 24283.2 22894.18 22381.8 22513.96 23311.63 Chorismic acid 4396.08 3447 1836.82 954.65 6943.35 2557.21 6351.69 5634.76 3873.58 3866.88 3171.74 4435.59 7418.96 1217.03 4151.38 4546.9 2726.89 3232.38 5309.38 3492.47 6270.54 1301.61 6288.67 4144.64 4210.73 5390.94 5098.34 3074.04 4176.64 927.87 3133.22 3274.51 1067.22 3236.09 1427.98 1177 6377.14 1891.27 1428.95 881.37 1412.41 4916.9 716.42 1013.51 1033.69 2017.84 2466.53 777.01 3936.83 6002.29 4160.35 3089.18 716.54 1056.51 1740.94 2286.74 1262.71 1053.16 1755.24 558.41 1215.34 2058.83 1400.07 1528.71 807.97 3551.82 2261.11 2137.7 1563.24 1739.68 1287.45 3346.83 735.79 908.15 4497.22 6679.78 6065.68 6845.72 6268.62 6899.38 7005.71 6848.51 6681.21 6692.65 6484.9 6148.74 6294.64 6899.83 8963.64 6370.01 5805.57 6842.86 6826.43 6764.91 6732.23 6638.08 6711.56 6343.72 6786.4 6640.76 2565.25 2701.42 2549.87 2683.02 2686.01 2820.19 2310.03 2705.93 2357.42 Purpurin 19688.27 26701.37 2937.34 12079.71 28130.06 43433.09 18091.35 34828.78 36253.43 21053.04 13092.53 34366.15 19313.42 16853.17 13347.93 18728.96 12675.98 43772.53 32364.01 74748.45 37391.18 27075.3 11444.01 12455.55 24554.44 29268.26 9856.84 13737.45 36884.65 12352.57 42281.66 38036.17 18077.5 6599.41 2928.52 29325.36 17142.42 19018.8 2091.83 5023.94 24585.52 30898.52 6878.76 9924.49 38868.07 18638.55 44065.61 15395.3 17254.41 26447.47 18010.61 15403.94 8880.32 9481.35 7447.99 13824.83 7713.72 4356.82 16294.6 5417.61 2599.91 666.2 14398.63 8641.66 13922.54 24509.51 31717.96 11487.14 16067.66 22709.34 30659.52 11707.35 3402.74 4148.58 13847.64 23604.92 23034.73 22832.13 22773.82 22690.4 22130.05 23318.53 22700.58 22696.21 8-Anilino-1-naphthalenesulfonic acid 12205.54 48357.82 2670.03 2994.52 736.41 4307.75 2738.25 6796.18 30736.9 20405.6 6386.36 824.78 7102.79 2248.49 46206.41 1081.48 6606.84 5683.78 4891.51 2567.11 13698.38 20038.08 4369.33 5620.89 10158.12 26961.46 809.1 6275.44 940.95 2819.69 2524.08 9911.9 11612.58 1984.66 795.82 4583.68 568.79 21525.58 2903.97 4069.75 6646.74 32388.49 564.97 1902.36 7574.53 3253.46 19444.24 3951.3 3922.2 14029.35 23874.7 47460.6 5086.67 655.93 17295.59 38020.26 2271.84 2400.04 13372.16 6266.69 3031.3 2918.5 33064.46 494.75 1201.32 26607.03 41117.96 756.31 6126.1 10814.72 18600.31 9297.14 802.38 5671.14 3687.96 7409.25 8247.55 7878.19 8151.23 8354.51 5825.3 8251.93 8479.78 8053.71 Enalapril 7191.68 14677.19 8088.43 12352.51 15398.86 2934.64 662.02 2220.76 7293.81 4498.57 1676.97 13569.61 33151.21 18929.35 14405.43 13735.89 14950.22 16902.2 12968.44 14405.59 5155.51 11890.11 4768.5 10513.22 6334.08 5883.07 1050.81 10291.23 8079.35 747.11 22317.9 14172.57 4104.59 8623.87 7979.82 9258.94 1642.44 4836.47 2496.39 6378.96 24180.89 11308.75 15926.8 9557.83 16187.96 18871.74 7954.45 12944.05 7652.34 46737.39 4719.9 14792.8 14301.5 22668.99 9788.38 21183.81 13649.81 10121.47 5672.45 10968.17 7039 6352.29 10058.36 12278.12 16181.46 13907.07 23394.71 10665.38 11595.74 5846.91 12352.88 6452.32 4116.8 14638.63 12836.51 10617.71 15152.06 16148.99 39379.28 25239.87 20706.93 22176.98 15795.0 12403.78 26420.28 23314.67 11163.91 25960.19 16992.33 18024.45 30415.88 24883.22 25872.86 13943.33 29105.51 17876.33 16858.87 15764.64 10213.52 16361.75 14432.21 15047.93 15142.75 14426.18 14239.09 15002.88 14937.31 15009.23 14035.76 7-Xylosyl-10-deacetyltaxol 1557.36 569.08 1250.8 10453.39 6332.66 665.42 4485.09 3272.1 2139.38 2906.27 1088.63 512.54 4759.71 1993.44 3447.15 3377.49 1139.27 7973.3 4174.67 658.52 3036.06 1437.05 563.44 10358.51 10725.22 1870.06 3283.61 897.29 5472.95 1435.93 431.6 2178.14 2324.07 933.02 4482.1 3533.33 16930.63 612.21 1260.72 4589.58 512.55 2031.07 4091.71 1826.93 8031.73 7342.23 3961.66 1612.98 588.74 4094.96 2332.68 2800.71 5139.65 12716.18 5754.94 2203.48 3928.61 386 6377.36 650 1653.88 2738.79 7443.9 7112.65 2549.07 5700.62 956.75 476.04 748.8 9575.63 7518.47 462.18 5594.49 11301.4 6734.22 4216.31 4145.03 4286.42 4073.26 2793.64 4077.16 4019.96 4055.01 4309.49 4-Guanidinobutyric acid 50955.2 37552.26 45022.04 40909.69 27804.27 33682.18 6768.3 51798.69 32723.51 38133.67 36784.84 39467.29 94420.37 29952.85 69405.1 50946.47 41314.26 68972.33 65045.39 45496.98 35341.44 39548.08 112256.77 43169.48 33158.61 42605.37 36911.24 63649.5 59329.57 29798.98 31738.2 94381.44 78618.55 54048.66 46993.77 10663.48 12897.31 49833 19465.18 28660.98 39912.86 29874.57 53596.38 31558.62 40352.23 76939.91 42657.71 59648.43 44291.14 111079 32720.41 71158.12 41471.68 53662.03 31203.61 38907.64 31642.07 61042.71 37676.84 21014.47 27102.39 63174.02 33314.38 70822.03 58639.64 31780.06 48211.64 57221.04 38855.52 35409.75 63315.71 29611.2 33793.79 135304.34 51713.88 60308.7 55235.44 58499.13 59692.95 61323.12 55027.36 60659.66 62983.33 58589.46 Gibberellin A14 1507592.89 1844610.69 975234.17 867915.31 1223786.25 1564449.03 825700.99 1400929.13 1902226.29 993164.87 1145742.31 2196529.35 2643252.32 2177747.21 1477345.89 1590193.93 987369.95 2845169.99 2413255.43 3552434.45 1724390.57 1098144.69 1153411.18 1042948.12 1251407.3 1652862.39 610139.08 1021115.22 2062339.25 1046533.72 5290490.54 4251888.9 1165631.65 976808.84 792210.14 1432667.19 854605.18 814455.32 565213.16 718789.07 2389229.97 2738970.32 932185.76 818849.14 2500675.14 1435697.71 1982894.87 1745562.01 2072375.97 4711760.99 640134.31 2053108.19 1079193.65 1715437.51 973783.22 1730681.13 856738.69 596013.01 727791.83 576739.3 600521.31 394578.21 1063215.2 670183.75 1010365.95 1624097.07 3600612.46 925428.61 1005095.19 966476.72 1078440.67 843250.75 903743.62 1102644.35 1104875.91 1565603.42 1525254.26 1534705.51 1525419 1533583.13 1508173.67 1527096.11 1531415.96 1526239.28 Modafinil 10210.75 877.54 6107.99 10907.61 730.87 4472.29 3411.63 1832.26 9878.32 19750.69 10269.39 60427.6 6477.86 5487.2 13064.03 5607.73 9133.31 17385.34 12067.92 660.46 7212.37 16050.92 14336.08 12325.88 11949.1 27905.81 38296.63 18336.91 30846.35 3390.7 4372.82 5974.77 9168.37 13983.62 11923.25 9215.19 3293.14 15441.89 9452.12 20072.91 58541.51 1870.64 9592.35 3540.24 17042.44 3328.2 21870.67 8782.38 5476.44 27525.66 1088.05 2883.99 1623.63 24096.91 5518.13 3557.16 6273.84 505.93 8597.04 431.9 3957.24 6097.6 36205.29 11364.91 25448.94 7422.76 2803.67 8510.12 1435.28 7317.36 7780.68 34849.03 58825.96 3652.52 54552.47 12850.57 12799.91 13530.14 13085.56 11569.63 13030.95 13039.98 12580.8 13082.85 Taurocyamine 2022.51 3226.18 31842.66 8838.26 3095.25 38747.85 13769.46 989.3 1823.95 6725.67 5428.7 11493.07 10687.98 4485.93 3333.02 26338.08 5467.85 2450.77 2785.26 5255.76 2243.65 1224.11 6294.43 5364.45 4011.25 1767.56 2765.88 4165.74 3550.48 595.73 3600.69 3989.25 2681.62 5051.65 2317.59 2517.75 2264.28 6880.8 1079.63 771.31 4226.51 3702.98 3225.12 5372.45 4406.72 7740.79 3056.09 1329.84 1480.95 2062.41 3665.48 2854.07 4138.12 6416.77 2475.5 5308.26 15868.68 5102.25 4895.96 6994.56 5524.81 2963.01 2567.67 7401.2 1999.12 7217.14 906.04 6124.87 5918.18 1841.47 584.98 3629.88 2137.81 4828.16 7965.01 29245.22 51920.1 54935.07 21940.41 25787.13 35197.9 35562.78 46763.59 43227.69 40410.38 31066.4 35367.69 43871.11 45426.94 75577.34 47281.71 33214.28 34591.54 43087.87 61802.84 45994.65 38776.82 44818.39 40437.83 3925.54 3750.91 2798.81 3395.39 3759.72 3581.05 3762.02 3757.11 3367.46 gamma-Glutamylglutamate 8467.87 2339.15 901.52 862.53 9537.16 8253.15 1023.48 1137.85 2134.65 21363.86 2590.63 20151.28 3335.79 6482.16 5868.09 12418.01 5278.47 11283.29 9859.29 186736.29 5280.67 4209.99 1925.97 1176.16 11938.62 40330.49 8715.4 8659.6 32224.74 4983.4 14062.8 102448.08 2244.25 1125.37 778.77 25677.29 5518.19 734.29 1618.47 2956.61 24923.38 38255.42 1228.67 2000.29 32838.69 11256.35 2925.46 10335.83 9040.9 59531.82 9505.85 1503.34 1383.32 1149.83 13796.26 2274.64 3712.1 807.85 1663.36 6360.58 3304.55 482.04 3274.23 1481.2 2516.05 7481.47 13556.56 2976.55 4608.35 3674.23 6109.32 2598.1 1406.05 2181.41 3018.89 9217.55 9396.88 7451.45 8353.1 7878.59 8523.19 8635.7 5124.55 7250.44 Acetaminophen sulfate 1229.92 640.73 3188.6 2364.35 518.82 1404.67 1942.4 941.98 891.48 1258.31 4004.52 1626.21 798.26 1454.65 607.16 6937.37 4981.53 431.7 4582.99 809.37 1864.95 2809.14 792.27 3782.81 655.17 2428.99 2424.03 4930.02 523.99 1208.63 1430.07 5610.29 341.43 1315.12 1933.94 764.57 740.87 518.37 3383.82 4119.7 1382.41 3174.45 6614.24 3937.57 427.59 869.85 1499.87 6143.28 2900.03 9917.5 1336.02 2250.47 4388.48 3216.44 359.19 661.11 998.21 1519.19 1204.65 487.82 2667.89 1618.09 803.2 4750.3 6348.21 1367.42 2293.61 3038.87 5475.04 1035.06 881.54 4074.77 5201.39 3917.43 5187.1 2414.18 2543.46 2868.02 2497.36 2568.8 2602.02 1916.89 2343 2622.09 Hydramethylnon 823.33 1354.29 4979.88 5623.12 33841.06 3299.08 17267.46 1226.19 14111.4 3372.45 10217.82 12881.6 4309.39 2412.71 40073.9 7770.63 4029.2 8583.86 9826.23 7788.64 10715.09 1386.53 5615.95 2859.1 5315.68 6257.06 8448.32 5847.26 7474.88 6340.55 738.53 6837.63 12535.41 963.85 8633.98 2410.01 12063.47 942.12 610.2 18465.5 2335.37 681.33 3497.16 1173.83 10730.17 15207.89 36615.46 1917.59 1398.24 18257.34 2079.53 709.39 3454.1 13339.4 8662.88 15062.17 7460.91 19327.02 12792.8 1211.38 5264.39 4215.33 9857.07 20599.58 24818.25 8813.17 748.1 1027.98 938.46 12884.07 22718.98 1068.28 16918.14 20347.62 11295.99 12229.26 10220.16 10932.62 5238.87 13436.34 11250.9 11380.7 13390.25 11064.4 11972.02 9527.58 10219.6 10630.07 14086.33 12477.55 8497.27 12030.98 13614.53 13136.96 12530.78 11094.67 11433.71 12304.04 11665.55 12751.15 7556.25 7967.71 7536.99 7938.67 7876.98 7359.8 7904.38 5919.7 8357.15 16,16-dimethylprostaglandin E2 47963.09 49204.2 179348.91 222397.21 73195.12 34090.68 14519.11 41574.24 2462.47 23381.12 58573.23 49426.7 136292.49 63554.63 21739.08 37755.42 76326.32 11059.4 54739.04 34612.39 40278.09 22573.07 72682.87 64614.98 45337.63 50908.6 60872.92 51384.28 90523.79 68066.69 31773.75 15021.57 66449.14 74603.25 86809.14 50436.16 40216.35 57974.02 14360.9 9610 11628.15 8759.55 48653.3 57356.64 38815.74 76947.15 30194.54 101121.09 52561.46 115316.79 35141.81 6919.72 57574.98 118449.94 62468.7 70729.28 121317.88 82580.25 43146.55 152822.65 79764.11 56494.86 65561.54 68425.23 9499.8 2920.63 32803.24 46849.52 54139.95 51058.93 50955.93 49296.63 4393.93 3246.33 75532.07 66960.31 66974.76 67269.56 63549.37 64959.53 64639.21 66974.42 65392.62 66974.03 O-phospho-L-threonine 323.45 20693.29 7828.79 412077.06 158054.84 290540.19 315385.92 27315.54 28271.76 15339.67 613.82 903.35 127460.06 5530.34 32973.42 27709.5 33294.79 1356.77 11836.59 293.48 2987.89 351.31 524.26 1448.79 23097.78 35574.81 11575.57 5098.96 25665.43 3658.85 34960.68 2454.43 29568.52 34976.24 13893.59 23337.93 16993.61 6637.15 3152.75 4437.44 26178.52 6166.54 11614.6 11525.94 38233.07 151486.73 29836.22 292.37 428.07 18694.9 2324.67 15359.86 4929.71 48395.6 432.9 19195.56 675.62 7284.5 445.77 14140.12 248.33 16720.08 18678.97 340.28 386.34 659.66 15869.87 2231.79 10232.12 26071.71 18198.05 3671.57 333.82 10569.69 35103.19 31486.08 35805.24 31451.48 31558.77 29100.88 31319.12 30778.35 31461.91 31952.1 3-Methoxycinnamic acid 4101.69 3350.28 5658.36 4391.05 11679.81 8288.1 2810.47 2966.97 6067.78 1332.29 1971.29 4489.56 4436.26 3418.73 4928.96 16360.59 22632.41 3523.8 4466.69 1802.29 6684.04 5821.63 735.15 543.87 976.68 4470.75 2488.53 1247.78 2750.67 826.94 878.57 7726.53 2772.29 2520.69 4576.43 3108.79 10416.06 6943.02 2568.33 7676.11 1662.61 5060.87 2305.84 5195.02 7630.24 2764.78 612.14 771 3846.46 1214.75 1171.49 4733.56 16595.51 18545 62961.48 2293.09 17083.27 18684.69 1715.56 4048.87 8289.68 4018.36 12297.82 8164.48 18207.57 7142.04 5178.27 769.14 1318.2 7528.88 1180.16 4274.56 6442.54 41557.43 3645.73 3917.38 4008.18 3201.21 2949.19 4270.76 4695.38 4582.2 4357.67 4530.97 Formoterol 614.5 916.82 2531.12 1712.16 535.12 583.58 845.21 907.77 423.47 510.42 1091.54 1004.56 1002.08 375.98 1680.8 494.38 615.7 1400.48 422.6 1599.79 964.55 334.57 818.75 989.08 788.78 351.48 544.91 1195.07 424.74 919.23 1298.42 470.36 564.89 452.65 381.85 913.57 1047.79 393.21 673.53 595.74 686.54 842.67 2572.7 681.59 543.21 2116.28 653 2610.61 901.65 1692.12 867.77 699.54 563.59 1043.46 616.29 1450.75 836.17 779.13 351.69 6643.5 545.42 614.65 978.27 1017.63 790 498.63 731.94 959.45 356.67 1377.85 2567.17 363.6 1257.25 2535.63 953.16 4882.12 8407.83 5120.67 5895.67 5800.15 5644.18 3977.54 5384.13 4215.46 4374.25 6300.29 6088.28 5571.04 4787.59 5013.11 4118.62 5153.99 4296.3 6073.21 4381.0 4695.35 4612.97 5101.23 5509.87 6524.79 1181.64 1217.31 1231.55 1220.11 1308.65 1218.66 1030.31 1168.75 1131.77 Bortezomib 4431.35 2497.87 3289.04 3753.37 2428.03 4350.42 9671.25 5762.03 5726.06 5790.42 9307.89 15213.13 16040.22 8040.53 1916.6 10844.87 2978.23 3348.37 5739.19 4243.24 7955.59 911.18 2851.15 14152.76 4545.54 2575.46 14849.93 8122.21 3374.7 2858.94 3060.4 9299.37 2056.45 7900.51 3456.7 4765.62 5327.53 679.09 7244.63 2472.92 3674.38 6662.48 1874.31 4072.48 3365.73 10041.22 689.19 6831.33 6428.44 5080.34 5708.79 2332.32 7251.44 15502.56 2943.22 2287.64 2360.99 833.59 3498.4 1761.13 5429.41 3993.43 523.62 4275.51 5613.29 6148.87 2734.1 11025.72 9515.88 3072.17 698.69 726.2 5279 4134.71 3369.84 5399.75 5453.14 5267.16 5249.72 5252.94 5444.69 6010.84 5449.55 5458.49 cytidine monophosphate N-acetylneuraminic acid 1135.02 1816.53 3601.44 1908.31 1444.5 667.46 9101.36 1531.26 887.45 500.22 8238.09 6748.35 10017.93 1477.19 17875.57 18347.9 14638.39 8968.6 12175.45 957.59 611.16 570.37 304.11 1695.29 971.12 1803 1998.32 1992.62 2583.99 618.83 2875.25 1087.66 5270.25 9833.4 9134.64 700.96 519.9 1470.07 5509.69 15744.19 626.87 565.89 8277.85 1945.87 906.49 9380.96 2236.1 13160.14 565.69 1993.42 311.84 1456.56 8674.76 11873.37 4419.55 3315.44 8822.07 22902.52 3658.53 14063.06 5770.77 1119.09 8065.3 17087.43 34826.56 1743.48 898.5 2793.67 1904.86 1150.83 5416.77 1683.01 9391.65 22489.87 12058.88 5250.9 5833.96 5633 5041.61 4879.65 6085.36 5194.37 4927.34 5510.45 Geranylgeranyl diphosphate 33418.59 21008.57 99020.75 251.19 94213.79 1084235.5 149930.69 21745.58 19947.27 123898.29 25329.3 301.47 6632.05 202.65 548.18 298.99 31995.67 551.01 56710.72 1508.79 21718.52 186972.41 683.31 505.53 29026.03 741839.7 4768.5 318.84 364.57 15466.36 12504.48 24222.82 43839.99 9050.64 25505.04 29616.27 14299.57 731218.07 1510.78 10665.01 595.16 24536.73 26743.66 21512.77 328.02 22463.36 414.62 25917.41 351.45 39456.33 32036.67 1267.21 315.16 206.38 20651.06 383.82 107720.42 75637.45 12902.79 582967.19 242.2 42905.5 1274.78 29170.91 17270.94 16763.47 424.03 207.71 3382.26 31532.56 495.36 109694.67 22059.08 42190.73 459.97 61083.01 61791.37 61086.39 61082.75 61512.39 61384.2 61381.78 61085.16 61082.55 Ethephon 3648.79 23410.11 17821.95 17833.22 5197.53 7894.99 5888.02 3154.48 5408.74 823.97 8251.12 2861.94 799.91 3159.72 26997.5 38965.3 30555.39 19498.84 4978.76 843.44 8783.05 1137.63 757.5 17200.88 3486.49 6649.03 2919.37 4693.15 697.59 2968.86 1118.49 2946.11 2557.79 3129.73 1539.61 1931.96 1731.43 2461.81 5608.75 853.84 3048.06 2660.47 4162.54 4697.02 812.29 2703.86 3009.17 2704.94 2171.99 2680.64 6062.04 4421.64 3811.03 670.48 2120.34 5869.36 17593.35 10711.21 4227.38 695.11 1227.71 4882.57 8698.27 6950.87 13955.23 935.43 11405.53 2447.31 4192.11 1456.25 3167.14 893.25 7057.59 4657.52 3160.69 2417.46 2645.95 2458.32 2101.66 2484.3 2313.54 2295.81 2377.36 2445.13 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide 4703.21 2696.88 5467.44 3327.16 6477.05 4787.72 6508.89 1507.91 6184 9500.71 9808.17 15569.42 12855.18 14562.75 3384.87 14027.35 5532.29 4187.35 7794.43 4299.59 3887.51 872.24 10678.86 10075.28 4017.37 4528.25 9111.57 10961.98 1571.47 6902.53 4193.61 20804.43 2362.93 8722.75 6948.5 3045.6 2564.23 607.01 8263.9 6085.23 1353.55 3083.53 11397.12 6559.13 1329.92 6296.28 3872.95 6808.94 9549.56 12231.38 4338.62 1508.37 8915.19 12465.48 768.72 2804.95 3564.01 2720.76 2016.08 1449.47 5166.98 6125.06 2123.2 9890.67 5440.3 5721.02 3796.86 9076.38 10924.49 3325.31 3050.68 6165.32 7725.13 12092.56 12129.25 5719.89 3238.35 5766.3 6203.48 7412.5 6188.05 6239.29 6167.45 5751.99 Diflubenzuron 10601.91 17912.93 87191.9 65530.72 44879.54 64929.77 7960.12 27097.46 6406.2 19016.61 55997.68 19017.63 9486.03 23887.1 28324.63 19341.2 35219.08 22739.7 11268.42 8657.85 21339.7 9211.3 37975.44 20046.85 30389.86 18336.67 40163.72 32269.84 23989.94 52813.06 13041.15 24804.97 34797.56 33300.53 44125.83 37739.5 26178.92 2880.19 72701.42 42052.45 43627.38 25191.17 140788.69 67323.7 40299.08 27671.3 22400.23 29314.43 32267.72 13065.57 29751.35 41557.85 80808.53 29473.18 45456.27 41006.96 38479.8 30240.63 36715.85 43133.32 80679.99 47613.87 33297.7 31484.46 34620.4 24379.34 21998.37 8370.93 33317.12 57396.65 59987.32 64052.82 54499.63 53988.98 34916.02 49080.69 46294.91 45559.46 48858.26 45411.69 45492.87 49611.19 49217.32 17130.3 Nonivamide 26812.89 11348.5 7885.04 7436.31 15061.71 2707.65 7431.45 7325.71 3844.25 34581.82 26946.81 23473.83 18857.05 38503.29 20127.41 15263.53 16878.79 8192.49 31980.75 1621.88 8127.35 6673.78 29654.01 29166.71 32232.5 24746.99 33828.87 36312.58 26309.47 61357.93 23355.3 75714.83 31728.1 34985.65 32761.41 30255.39 11733.06 11768.02 20246.07 26561.76 10419.21 35169.2 37943.98 12799.9 31455.62 25468.64 8118.88 25265.34 50108.73 39814.48 10758.66 21781.67 26226.14 46939.18 28433.06 20195.95 14597.91 26335.08 25926.63 24698.55 24208.55 31905.42 28148.79 36330.06 36971.16 13705.1 5594.3 22937.74 24108.4 22525.61 30643.57 34387.6 37702.37 45999.76 12072.68 19833.91 20538.48 22267.06 22055.14 20537.76 22232.15 20660.31 22042.04 22115.49 Zoledronic acid 19103.06 6799.41 375.04 2039.86 7906.93 9039.4 1054.24 7993.54 8193.28 5251.36 846.95 1964.32 541.14 1150.57 3923.11 1308.75 501.47 1965.06 2472.03 2340.25 10574.36 21727.05 4622.45 1427.19 7406.27 5090.44 2277.27 2516.71 5729.59 3812.77 10979.25 987.43 9349.62 2540.99 1226.08 3319.52 5730.8 5695.81 850.57 512.31 1593.49 3452.11 1146.33 547.8 3690.33 661.23 6185.92 3325.06 1634.75 1608.29 1731.1 3609.35 1210.62 755.62 3242.26 3741.44 413.1 1843.02 7436.24 2927.86 1386.79 2598.18 2604.14 1884.17 1361.01 4610.55 4665.94 1004.66 4891.17 29060.59 7429.51 12014.18 1011.03 728.94 895.72 4395.45 3991.77 4407.58 4386.51 4484.88 4104.69 5154.57 4154.36 4259.97 Digalacturonate 47790.2 7626.17 10643.2 12629.36 56145.46 46135.81 28913.09 73360.14 35425.48 23993.5 22050.15 50715.12 25131.86 17693.89 24022 46864.72 32292.88 19679.92 20056.54 8628.12 24161.2 4233.52 12431.92 30309.54 22544.37 22845.58 13196.23 10478.36 64739.62 4467.46 68842.05 80135.19 43798.15 11566.77 5520.53 35839.33 37871.33 42764.35 7638.12 2995.2 56164.52 50214.03 23129.58 5769.04 28863.17 15735.77 22851.65 8686.04 6340.88 58052.6 50257.84 10585.4 7619.99 20954.66 15721.03 27281.71 9869.03 10732.76 34103.3 7448.3 15138.95 2976.46 13961.96 3965.4 25699.18 15815.86 23900.64 13993.15 19491.64 20859.28 18002.26 16980.04 21731.12 20142.6 34734.82 35942.27 35610.54 34230.81 32223.98 35186.98 34050.23 35606.32 34371.52 34072.13 Lithospermoside 22957.73 24779.63 22899.35 17552.2 24093.84 7800.75 13346.2 20804.57 14843.78 20584.15 23329.9 19704.76 20497.17 19022.09 3671.76 17116.5 12979.55 15544.51 15350.16 19834.13 14601.41 12867.12 19287.83 19564.59 19892.53 14090.9 23765.3 18409.92 21069.03 13567.62 10354.42 9321.66 9915.73 12716.7 7722.56 18722.61 8498.24 7604.64 14878.31 5533.16 13285.34 7577.12 6313.65 6030.66 16230.81 13574.96 8830.36 11795.74 6218.06 11674.52 14467.18 11327.92 17037.98 7269.54 11281.35 9004.16 12965.57 6921.35 11983.26 10457.75 3853.37 12323.34 9416.12 9290.82 15880.93 11638.4 11851.07 15700.42 14923 10412.89 10590.41 12428.02 13768.34 17296.31 13589.27 14350.04 13341.04 13329.65 13796.18 13705.63 14042.8 13414.85 13960.41 10996.91 3-Indolylmethyl glucosinolate 70560.49 39624.25 1265.21 2072.62 29339.24 1830.14 5900.14 41972.86 98097.94 22543.17 2660.33 17153.55 1247.34 9732.73 22322.15 34716.64 2996.14 24926.87 17815.51 40450.05 34276.46 1525 2697.33 1501.26 41867.47 22278.94 10515 22954.19 53433.53 32058.08 57236.69 24066.49 52918.51 2643.19 2064.46 93034.27 38033.84 1267.41 3140.35 1471.21 47953.39 42244.34 2172.85 2653.31 36297.27 1690.69 94318.61 11091.02 25933.58 34099.71 18755.35 4827.06 680.11 1046.29 16875.2 5713.24 2755.27 638.31 26812.18 1120.43 1288.96 1587.15 4460.29 1110.31 20579.27 17695.91 23868.11 17778.23 17455.31 36721.72 89512.86 15782.62 15411.16 935.03 4455.7 23290.02 20009.11 27859.31 24304.56 23647.09 26047.59 24961.82 20683.58 22644.33 D-4-Hydroxyphenylglycine 518.03 2234.35 867.61 1125.23 1018.12 5578.81 712.67 3868.61 3446.66 4377.27 4485.32 4506.57 778.84 685.05 488.96 5279.08 4207.6 2960.06 4695.33 2402.03 3645.98 3034.96 6116.67 5271.41 3432.88 1961.72 3974.49 1396.57 4316.21 1296.58 2214.19 5139.77 1649.53 8274.53 7933.39 3087.81 5497.54 4128.06 15243.38 6645.54 2518.22 7223.55 8147.14 9404.97 3908.35 18771.86 2599.45 1158.43 4952.32 8005.68 10997.58 9796.47 11572.39 19460.54 9279.06 5351.77 587.1 5714.85 585.81 6564.42 10168.95 10198.93 12200.69 9040.01 4917.19 7674.56 2836.93 5732.45 4512.84 8062.77 5326.48 6538.86 10394.04 13443.92 17093.34 5097.62 4979.7 5655.16 5350 5617.59 5620.65 4973.4 5420.69 5661.91 3-(2-Aminopropyl)phenol 10751.29 11934.82 36021.31 57654.99 172925.84 147369.3 213299.55 13263 11453.04 46586.16 35623.34 14120.05 77683.87 30616.37 18625.51 38248.28 9854.52 17838.11 15282.36 4594.05 11063.14 44076.63 53450.7 19201.55 12261.5 23291.73 12385.69 18250.65 20397.92 13078.42 8764.34 51558.05 37704.76 42140.56 25530.23 15433.25 11815.08 51653.56 41690.83 16284.89 67561.53 29969.26 38958.4 13721.32 18808.67 78459.85 10909.5 6125.42 34674.69 20065.27 67100.49 51868.39 11713.09 27230.98 50451.81 8327.42 20109.31 10285.32 12862.41 22862.76 10361.78 12896.82 40569.19 10609.25 11783.66 62371.36 7909.43 8153.27 20393.07 7833.78 6624.56 10805.8 23613.53 32105.99 21284.68 34000.4 37960.15 27083.79 34449.29 34453.43 44680.17 37960.17 34181.35 38677.03 N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 2021.95 3751.82 2405.89 4881.23 912.16 4487.01 14967.75 478.43 3395.58 352.84 758.8 3739.94 4966.65 4094.85 3224.8 4955.39 3973.81 643.43 510.47 432.29 2081.5 332.37 2238.68 3555.71 765.87 951.47 422.44 408.33 474.78 1150.99 375.78 1020 1531.08 1562.48 862.16 297.54 374.5 598.43 2181.32 1692.48 529.38 610.03 390.59 1630.35 890.65 3786.95 889.01 369.83 645.79 1156.15 932.33 3253.02 1117.43 322.86 1790.44 2180.79 11860.55 677.44 410.04 3249.55 2472.82 882.25 1517.95 2203.25 712.44 458.61 783.62 1560.16 3565.96 1149.74 376.93 333.66 308.77 983.53 4183.35 1583.45 2054.61 2033.1 1903.84 2146.35 1902.37 2010.39 1999.43 1927.47 Gluconic Acid 8816.13 12772.44 7806.11 10553.27 53614.86 41107.27 7581.61 9525.49 11374.89 7013.28 8718.67 12480.14 54266.5 9640.91 10401.41 30915.25 14115.37 10541.91 32876.16 10277.12 12702.85 17866.58 18739.76 21909.61 6732.63 6814.98 12554.65 6301.68 7185.81 5407.96 8293.43 15683.17 5578.64 4476.22 4472.01 5429.98 10289.16 6827.35 4022.16 5610.9 13362 12777.34 8570.51 9494.65 10078.97 8612.28 13003.1 22209.9 8393.53 16322.21 3512.04 4808.21 10501.42 15519.52 14142.51 17054.28 40934.81 6949.66 1674.15 10337.65 4770.44 6640.18 8205.64 11681.84 10690.11 11151.55 18336.5 8318.67 13512.39 8351.95 5780.13 10284.38 12613.99 12469.22 21615.28 8583.94 8578.92 8628.6 7865.78 7955.01 8421.19 8376.86 8624.93 8306.01 (3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 8740.17 5009.44 13738.79 20188.99 14494.81 1484.25 17992.71 4565.13 1003.21 7998.72 8108.25 16472.37 50874.14 16333.73 5765.69 7164.65 2756.4 5243.23 6080.06 8737.7 7395.84 461.89 15457.69 13228.61 6111.88 557.49 6885.24 6818.51 20229.44 1766.96 3562.75 7230.81 988.49 11161.34 9315.85 7889.7 3388.31 3208.81 6550.23 5715.78 2736.17 5782.6 9406.06 9257.34 5793.43 9444.93 2836.66 5120.64 7779.05 8589.86 2940.3 8205.54 8862.87 19325.65 9831.09 8848.69 11325.43 7635.79 1354.07 6716.24 7333.24 17912.51 4673.73 8472.41 4186.16 10770.21 3680.86 8976.51 6749.77 1360.21 783.83 3966.87 5315.27 15419.42 16860.65 9133.95 9273.39 9377.6 9278.98 9133.23 9274.13 9063.7 9149.77 9129.79 2,2-Dimethylsuccinic acid 2247.03 1886.25 1941.25 2780 2957.79 4813.14 3015.7 2766.03 3730.61 3645.98 2407.89 2263.91 3964.89 1847.65 4206.95 3558.52 1729.1 3778.5 2856.49 4844.91 7257.62 1441.7 2819.16 2374.1 2201.34 4349.37 5137.13 3005.38 4441.28 1107.25 4101.54 5264.94 1997.03 2337.87 1970.65 2246.12 2807.08 1779.86 2414.12 2202.76 2701.03 4601.14 3006.22 1718 3996.92 2281.6 3431.87 3607.07 7053.53 5597.96 3085.95 3450.17 2005.8 5699.15 1536.84 2150.83 1281.26 1208.97 2261.47 1206.53 1486.39 1419.95 1540.66 2129.47 2398.04 2374.17 2044.69 2497.37 1253.27 2191.71 2980.68 3154.49 2151.9 2284.2 2747.57 3214.33 3237.6 3062.76 3045.62 3124.35 3118.75 3052.26 2965.41 3042.71 Sorbitan 9499.95 14653.04 24198.27 13561.31 6886.46 7985.36 7677.26 9879.76 21206.99 10415.47 15285.59 12275.09 10859.31 8594.05 16923.95 20678.34 8783.59 14170.86 15431.54 22666.47 21665.64 34526.22 7991.82 15418.26 7917.62 9827.99 9410.18 11288.66 15454.5 6054.63 19393.68 14101.72 15174.09 17156.11 9578.97 13032.23 11125.47 7408.37 10247.25 9774.6 9200.48 12536.79 14034.63 9102.29 11781.03 10477.56 18131.79 36830.96 14089.42 15535.24 7739.34 14136.9 13338.56 17672.18 6834.05 8744.58 9962.9 10038.25 14807.77 6162.87 21639.17 12045.26 10346.42 14151.76 18716.11 12653.09 20182.82 12395.11 11111.56 13117.43 14779.78 9686.71 15967.93 15660.82 15316.39 12952.02 13943.76 13927.5 13911.84 13944.2 12750.27 14830.61 12457.8 13924.74 (S)-3-Hydroxyisobutyric acid 5803.46 5061.74 2594.94 6293.12 10237.46 3863.05 7199.19 5923.91 11131.54 4043.35 3762.87 9051.37 15482.9 3679.23 11167.35 7304.77 4759.18 9301.48 13298.47 18937.41 5614.76 1102.09 5173.6 4340.96 5586.58 7360.7 10525.06 11334.9 19744.46 3443.43 3821.01 7631.91 8646.22 5030.55 8375.16 7378.04 3444 1103.76 4860.12 4838.61 7929.25 5104.57 4116.89 4221.94 3492.65 20662.97 26531.68 13996.22 12757.91 12737.6 2618.53 5561.07 5856.27 12101.92 2608.98 4652.87 1575.54 1422.36 4713.75 2446.12 4847.48 4592.1 3912.83 2692.25 6916.37 7058.24 6718.25 10611.16 6022.76 3299.53 9231.01 3978.52 4177.2 5416.6 8445.78 6179.46 6280.51 6525.18 6092.64 6137.13 6409.04 5202.99 6033.78 6109.63 DL-Methionine 3468.57 3956.23 19513.78 12863.86 974.68 1616.48 10696.16 4395.43 5048.92 7782.25 8933.29 5954.84 3162.1 2691.89 4321.65 5106.91 11367.84 9443.05 4806.16 3941.27 5960.7 605.98 6424.93 6580.1 7105.25 2957.95 7068.42 5281.27 4534.43 998.17 2611.46 1400.45 3456.51 12044.36 13036.8 4798.52 5594.44 1423.17 9122.64 14478.82 2550.27 717.05 11378.57 7448.95 2862.85 9822.87 1279.72 2342.99 10539.82 2116.05 8057.92 7237.01 16501.62 25134.08 12456.47 1413.61 16901.35 20561.81 2124.63 996.05 5499.85 3564.53 6027.83 30379.2 15752.34 6518.82 719.54 5502.95 1719.42 9801.53 5431.37 3493.61 16353.25 29075.86 14213.54 6159.24 6766.57 6533.86 6085.67 6371.07 4948.92 6518 6120.3 6159.76 D-Ribose 7532.14 6596.07 3612.53 3978.89 3083.56 1910.69 2235.35 13349.43 7232.85 8425.89 7651.76 8308.76 6091.67 5809.63 7619.31 6128.3 4836.08 4666.22 9095.92 6624.79 9041.22 7813.69 6206.68 6472.19 6487.31 6011.13 6222.07 5383.68 16175.62 2588.52 5053.82 3889.56 3456.58 5158.03 6059.89 4320.54 6776.44 2785.04 3197.87 2980.23 3406.49 7614.85 4857.15 2424.53 5178.71 7575.45 7079.93 4542.85 7721.92 4548.98 7922.71 5150.45 5980.37 6636.5 3559.63 3030.04 2836.6 949.57 4813.55 1772 1911.53 2495.83 4058.69 4833.54 5290.64 9193.11 5451.31 8623.5 5084.83 3514.4 4037.7 4534.75 7960.24 5170.47 5173.87 2318.33 3275.95 2891.0 3158.25 3241.05 2037.13 3276.39 2641.24 4144.41 3317.35 2850.95 2714.58 3178.97 2677.22 4799.11 3773.83 4203.02 3191.19 2492.65 3772.11 5495.44 3396.07 2912.3 3156.3 2686.2 6364.1 6008.64 7234.89 6077.67 6056.13 6197.18 6373.22 5209.68 6622.45 4'-Hydroxy-5,6,7-trimethoxyflavanone 229552.15 29016.35 8790.57 549.93 167645 916.68 21437.78 217443.9 217084.54 88043.81 1358.01 76701.69 1471.82 14300.54 102129.76 50635.55 385.27 169087.73 66842.17 458547.24 219168.73 16269.07 842.25 31783.84 273332.86 7653.6 12003.07 55150.91 381067.6 13584.11 552189.16 75964.53 54317.75 25996.18 17308.12 261724.69 135018.84 2263.42 6124.02 16676.41 356759.32 398826.9 1126.2 689.42 371450.5 621.78 429868.52 25172.07 80026.01 155746.65 73970.66 3179.29 433.33 4876.86 60573.14 42256.08 6789.06 7293.34 4406.97 396.62 524.05 15432.92 17942.72 498.52 20992.51 89011.83 68387.72 28944.19 43524.31 147092.87 197268.8 31272.86 34393.79 1851.3 1526.11 73316.23 69301.35 74871.1 75484.64 71124.18 72087.16 73834.47 72540.25 88156.58 9,10,13-Trihydroxy-11-octadecenoic acid 13888.66 9001.82 93717.95 146436.92 521580.96 1033987.37 726572.92 14701.72 4081.58 10508.98 10558.26 24148.67 69273.1 12101.58 1802.52 21103.45 4448.95 7653.35 10531.68 1145.4 12262.6 2632.48 25749.01 16860.91 11699.94 2488.99 4585.54 4816.99 22108.89 9081.41 6679.38 20379.45 7346.18 18487.03 9170.51 12416.76 8659.57 14514.71 20408.72 7943.19 225185.06 44248.49 11147.48 8017.14 10861.73 147368.03 5958.61 8168.51 9205.39 19240.55 34698.65 17874.49 12495.4 34039.08 52737.68 11578.78 4268.28 5772.42 6579.26 11008.68 13729.7 22790.2 10865.03 12964.28 4288.71 33398.11 2944.46 9675.6 3651.52 5174.3 1397.84 7908.8 8218.53 6110.4 20568.2 90727.78 90661.62 91399.73 91008.65 90119.25 90960.32 90383.09 91122.84 91013.37 3-Hydroxy-3-methyl-2-oxobutanoic acid 16497.99 38277.87 23525.35 24304.75 6011.25 22365 5181.38 19263.54 26669.27 6273.87 13048.84 17452.58 41416.24 20422.42 17933.32 19899 17939 40341.75 35382.81 17950.76 32211.15 35388.01 5570.51 6873.67 14841.63 42486.9 4902.4 6542.95 29359.96 31880.87 25155.78 7579.32 15000.65 3368.87 3655.2 10305.01 9373.36 9810.53 8582.99 20068.88 20700.54 25067.01 3279.3 15292.05 22201.16 29831.01 16146.65 11101.42 17318.64 52689.14 9901.89 23479.53 14192.66 10019.41 15426.56 16344.66 13055.01 13240.01 20478.74 14403.38 20006.57 9961.09 8583.47 21100 18292.82 10367.38 26454.3 7603.09 10045.48 11306.75 23108.21 4651.84 4070.05 21266.15 9442.08 23123.23 21722.59 24566.92 24619.79 23528.69 23868.17 24786.18 22529.89 26850.93 Vicianin 2292.22 5751.75 16718.81 15427.02 1127.47 697.57 8533.81 1924.88 3810.81 2040.84 9889.34 7133.08 2851.22 7080.89 9482.32 39329.85 11273.76 13969.37 12668.62 6765.53 1670.79 4387.68 3731.21 24120.31 9591.49 1288.07 506.68 1788.26 1761.97 711.79 4877.51 3204.26 3644.21 2826.88 4326.33 1805.78 10548.35 1436.97 7465.09 10767.99 987.47 947.67 10889.35 1344.75 4955.07 1918.16 4105.64 12468.25 1139.76 3785.17 1586.51 3854.57 3296.52 5742.5 4129.07 14943.44 31097.55 6131.91 887.33 450.87 6119.49 5799.63 10728.3 21299.2 11416.32 10895.24 3839.96 12602.31 20428.17 10535.18 7654.18 3262.42 5505.67 22280.78 41017.31 5932.02 6066.02 6065.26 6419.42 5116.24 6490.6 7114.05 6403.96 6018.89 Bisacurone epoxide 217253.7 248981.66 125374.83 107140.48 474173.84 444790.14 224102.88 289940.54 240554.93 231075.92 190875 180609.91 190517.79 133499.9 253958.43 214379.64 105589.26 201829.41 163502.21 108322.61 230351.16 229232.58 206183.54 155129.27 272997.47 323223.48 179361.47 184506.95 263055.94 29743.7 193037.65 211865.81 240934.21 232155.64 157834.22 270434.87 288991.04 247637.25 165391.74 116929.74 120067.15 377552.33 183494.16 189167.23 228383.26 121244.4 215297.97 142901.85 106784.77 195587.85 221160.67 277539.43 166530.6 171846.21 146392.97 241009.36 98636.74 85372.24 239522.95 152124.4 114224.39 127185.86 197356.94 133582.34 133278.75 305133.2 145760.41 159668.8 137011.04 260218.92 225235.1 230796.7 148788.01 147233.33 150843.59 211797.28 208054.42 211757.54 203325.2 211972.93 215196.47 215565.78 215606.89 219328.05 Macrocarpal C 6782.84 14566.97 10998.77 11470.47 5088.43 1178.51 3656.53 2349.25 6884.62 4945.73 23758.62 3950.28 3441.95 5176.97 3482.65 1420.85 12802.12 5698.51 2275.32 3809.9 7139.93 2348.36 7536.59 5324.01 2774.82 2338.83 8276.15 2337.46 996.25 15149.19 7682.82 10645.76 9553.91 3186.76 15640.87 5136.31 6763.21 6270.59 15750.12 15026.59 6821.05 1616.83 24424.41 8874.47 6806.06 2394.44 7174.01 7857.7 5258.08 29348.58 5758.68 13422.58 13523.32 5792.15 3583.03 18261.05 12923.8 14813.93 3003.87 4514.43 15034.86 8089.5 11249.44 17706.13 13625.28 3168.47 8881.16 9597.67 3076.61 4529.61 9101.14 14647.52 5159.37 12126.8 15272.27 6930.92 6135.39 6900.99 7460.73 5808.18 8832.51 6056.8 6119.81 6734.24 Ethylene brassylate 49828.57 42120.22 21325.76 62548.27 63264.87 96249.7 76548.81 61623.05 199445.23 123748.73 197782.45 117791.25 57992.37 71403.7 199632.75 138135.86 180776.64 200926.77 129890.57 29306.86 178919.63 112337.86 77386.44 46968.15 47901.93 141508.87 91702.15 103346.79 95935.51 170314.6 146500.61 41231.59 326737.09 73849.85 119895.95 44012.51 121469.03 164220.83 84567.98 148666.67 141181.52 76570.01 117276.01 86209.6 52319.6 52021.31 87472.78 160557.45 66865.05 69135.64 92010.97 72397.9 48870.55 59240.4 63793.11 169117.33 147978.58 128496.12 224764.65 149694.91 120600.23 56524.36 171756.19 96546.62 271291.56 104906.39 74763.82 47738.19 98656.35 207447.44 197039.91 140514.84 179833.78 144990.97 95663.63 89369.74 99427.32 92926.34 95908.67 92106.92 96839.45 100685.41 96837.35 69825.38 Pachyrrhizone 22706.54 2285.76 2903.49 10419.91 30201.5 23621.87 56378.07 30437.87 64355.52 9123.29 46061.07 85311.2 19357.64 27818.61 60737.52 88483.54 48928.89 136454.23 27575.2 118885.85 43715.19 10784.19 11572.51 33960.2 12697.69 12723.35 12223.02 7283.32 81109.18 4879.36 173169.91 55678.56 1588.96 2376.07 5528.55 1475.06 7979.95 1353.5 711.98 833.18 52252.15 13241.45 2421.23 11121.37 52210.24 148906.18 84002 36331.12 30758.62 47274.3 9351.36 15153.34 14921.38 44104.93 13312.74 1511.85 11111.99 8921 14929.12 547.32 5905.46 6864.61 13698.08 1282.22 3238.25 33466.35 137807.02 50535.53 40607.81 12594.07 12550.42 650.74 16721.29 5128.97 21649.79 1438.82 1317.27 1190.1 1374.39 958.33 1413.92 1605.38 832.88 1256.72 781.36 694.51 511.62 1403.96 1554.94 615.91 1608.02 1222.95 670.08 854.69 652.03 2783.94 2845.89 2951.73 2951.72 4037.88 47292.1 51425.22 45289.66 46694.13 47333.68 47207.28 47939 48128.49 48047.37 Thonzylamine 287635.44 354466.74 219765.55 235117.29 399001.13 440676.51 218519.02 430866.69 422162.71 688670.49 343701.43 368146.04 381266.44 237313.12 373907.54 368758.67 243148.28 375437.19 391553.58 466175.69 406476.52 485345.15 341812.99 480055.15 397035.19 485698.97 294149.09 368903.63 521137.69 216814.61 467635.5 798269.51 404409.18 368805.14 362866.87 428261.31 404835.83 394082.54 285368.29 274629.77 480920.52 599183.71 391544.92 279399.21 492389.53 476195.38 452964.21 377949.13 256462.14 486949.8 379179.87 471336.42 378291.93 398719.04 303304.76 423674.51 227415.18 217515.26 359298.08 330399.66 252079.33 240461.97 308477.19 783332.47 303654.81 391371.66 387751.88 255469.28 281449.83 422037.07 384173.23 398465 292173.99 354456.35 529934.52 475099.6 456993.74 464112.06 478318.76 467304.04 457258.34 457210.58 480057.43 465761.14 Chalcomoracin 2180.88 1766.19 6660.74 25826.86 189840.23 801534.39 135593.12 57786.32 12721.97 147065.48 15002.98 36442.05 18561.47 1657.59 51521.68 32311.15 11635.5 468.29 4488.2 29688.74 14556.86 175245.36 13634.29 1605.32 6844.08 221481.53 20997.12 24087.1 19150.91 37620.67 92964.16 603.86 95169.82 14734.37 1269.78 55471 10769.12 222876.36 1440.55 2526.84 56879.53 32845.79 14211.13 15926.51 38010.02 984.16 22595.2 3470.93 12690.62 2103.67 17362.15 994.1 12313.82 41516.91 14730.56 2298.17 10663.07 674.73 6019.72 377439.47 904.32 9761.69 2695.35 585.29 3199.08 2951.42 5869.75 2282.02 18911.72 12300.83 17566.15 77893.76 1711.38 26689.08 19672.85 15388.82 16916.87 15865.99 17354.99 8433.09 17766.9 14382.33 16875.32 16933.37 Maleic hydrazide 45330.62 50370.98 92344.18 77491.55 30429.52 7312.34 62233.92 48091.01 47200.5 29387.76 55960.53 34517.97 57073.98 48713.3 73506.98 57259.44 46195.32 69380.12 25876.81 40363.3 48281.25 15245.58 44826.76 55250.68 44017.31 29957.82 33778.09 35555.11 30265.23 4125.98 50708.37 15251.95 36995.8 52511.95 61955.9 31772.01 60244.92 42688.26 60184.14 77914.67 8475.27 12154.64 65350.38 71441.13 36346.4 59304.67 60773.67 56722.5 18569.99 27957.02 40103.82 56441.91 64570.39 78509.79 46232.66 64097.18 101392.24 88384.55 41513.82 51186.5 64252.81 73383.51 86388.28 98300.68 74586.31 58913.77 34429.2 43427.96 55823.68 66292.77 61767.19 35435.85 94019.95 98781.59 109090.33 24678.95 24547.79 33369.21 22807.21 33056.53 39980.46 51192.67 11982.54 12217.77 33690.77 15509.39 14580.49 15139.45 10865.75 29633.55 5672.78 33381.97 42937.85 5207.32 14770.47 6876.08 19360.13 10554.26 48737.66 25893.33 50470.12 49893.12 50470.57 50017.12 50001.63 50476.85 50021.02 50482.7 50131.32 Dimethylstilbestrol 17116.67 5168.44 3442.23 3263.23 15858.57 6244.31 2501.42 24214.12 18133.11 8290.37 661.84 9116.75 522.14 7419.27 13777.65 7066.36 6477.95 20725.43 4442.62 39959.84 38605.27 15259.48 945.28 552.03 21763.31 13347.14 2448.5 4301.01 18021.05 6132.24 54299.67 9152.82 16264.38 1026.51 4001.99 16639.04 18422.16 1400.09 700.4 4332.76 18358.04 23436.9 690.7 1267.12 25095.96 8774.56 48917.87 6005.04 2217.5 20776.16 6352.63 5939.39 640.58 5623.9 11115.74 5937.28 3450.91 3946.39 18424.36 771.95 767.67 2296.01 5506.19 6957.65 6184.65 12721.26 11870.09 5207.9 10763.01 39912.11 27234.88 4914.89 9717.03 1781.94 3144.66 8674.37 9830.1 9791.12 9246.35 9817.55 9356.27 8904.75 10854.23 9629.44 5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol 4009117.96 4902081.02 5445341.2 4976412.87 3817939.57 3623840.66 3623258.94 3912359.77 4067420.05 5420430.02 5078468.38 3570627.98 2788650.83 4026955.34 3532834.9 4449486.08 5003613.43 4088210.72 3577746.18 2801369.4 4784433.72 3738989.86 5209452.22 4401120.01 3936288.03 4834389.5 4715370.69 3833816.69 3882033.29 5331585.48 3483422.2 3771675.12 6599683.98 4080393.08 5426229.09 4413674.19 6419638.67 5602432.7 5836191.13 7042414.43 4043685.81 3380818.29 4153844.87 5757657.67 3642116.14 3760655.5 4111954.59 5320657.47 4529807.54 3084323.01 4945145.76 4405876.54 4280869.51 4622285.24 5114126.39 3998996.07 6091945.59 5619467.82 4501057.98 5620102.63 6428957.69 4534917.66 4710536.34 4736384.88 4118900.74 4580287.89 3573864.89 4550443.85 4957666.13 5601810.54 4417456.86 6277329.47 5429822.28 5715971.2 4315662.25 1709.35 1392.54 827.02 1884.95 2267.29 632.97 2530.72 590.77 2465.81 608.22 3857.84 963.74 2072.69 1093.01 3090.94 886.35 1782.45 899.44 1466.95 595.09 5082375.48 5136267.41 5135915.84 5080782.64 5146787.56 5078130.04 5081758.09 5079902.19 5082760.59 5alpha-Tomatidan-3-one 99179.91 82321.47 67475.03 64279.23 84809.68 67662.46 71057.41 81772.71 81451.79 78435.1 94393.51 81596.4 77612.84 81493.83 96822.5 90413.71 69142.45 83799.76 92113.28 74964.09 85959.32 73321.29 73146.07 81070.91 73258.85 90125.45 78001.65 99238.79 93420.72 92845.33 74547.48 92452.54 67529.85 76810.36 76094.7 75805.91 77386.02 64139.7 80310.68 94178.28 91955.05 77063.35 74360.73 68862.38 84249.54 69131.7 76239.97 89926.71 78421.33 76894.58 75067.17 104230.92 77454.98 66939.36 70412.56 76791.16 67980.83 68729.64 80365.75 58892.89 74215.16 75535.9 76863.48 73768.11 89456.15 77909.81 99007.16 77902.05 80435.29 98907.19 77567.31 77252.02 85843.57 89673.39 87077.61 93001.35 87655.5 80778.19 84966.92 82531.6 83280.39 84520.37 82619.35 85433.92 N-Propionylglycine 3543.79 3707.61 3211.24 7657.64 11504.71 5496.82 7564.69 3883.88 2348.13 2174.44 2106 5647.56 28387.71 1725.18 6264.13 2791.88 1802.37 2776.52 8332.78 985.5 5040.71 18765.09 2389.31 2081.79 3153.24 1235.29 4617.95 3405.04 8056.51 1413.97 2420.52 1155.96 5104.87 7118.28 7923.8 1714.37 2096.48 1567.16 6326.66 6557.32 2316.25 4763.47 3908.71 3293.88 1733.1 19939.48 3668.8 5765.48 12574.19 5734 1666.56 2597.52 6102.24 13034.76 2663.17 1300.37 5074.81 4229.89 2273.39 2499.44 2694.39 7541.2 7014.63 5889.63 2680.4 5241.42 2409.84 14555.58 1944.73 2199.44 1101.04 4328.28 1285.12 6318.5 10416.03 6448.64 5792.08 5929.98 5847.9 5605.13 5934.52 5898.66 5883.32 5529.18 Velloquercetin 12748.41 24716.36 14611.31 19416.59 18810.67 60631.85 45834.25 18602.15 24879.92 3737.66 15698.11 13088.46 7815.19 7869.55 25742.02 24491.59 14427.9 29233.55 14293.69 84664.68 25709.35 11508.79 13775.95 10593.83 6067.12 14540.73 1543.21 2337.13 12963.41 8673.86 26721.5 11507.44 7835.18 3347.95 2152.54 916.44 12611.66 10486.3 3282 2489.07 10924.11 12255.64 2731.9 1308.42 13108.53 5905.22 16620.48 8825.39 1752.06 10848.97 2830.8 8923.07 730.72 5240.99 2501.65 7067.42 11486.69 1899.61 9418.53 1513.76 2946.12 2111.59 7626.14 9820.07 4588.91 2704.22 11086.63 2779.21 4613.49 11876.68 4317.98 7988.8 7212.13 4577.11 21513.82 13170.9 12349.72 11787.68 12422.92 11770.32 12434.48 11781.49 12390.59 12229.41 Cavipetin C 52325.01 97084.43 81010.14 171068.03 109038.29 117032.26 154551.76 60954.83 123771.99 122914.86 149461.35 110846.94 100164.78 112558.62 79218.2 128954.93 121288.55 97024.65 74154.59 65870.79 131350.73 104666.34 131537.58 116697.93 41334.56 113961.28 108084.37 104236.19 56663.98 173803.46 81972.48 73957.17 126552.21 133721.85 130703.84 79989.21 137653.97 118692.86 124110.81 143290.29 38753.2 108519.06 114317.78 143431.82 35054.62 114819.71 69724.02 66335.22 114875.04 89107.29 122389.09 120070.06 118881.91 65921.86 118249.05 95998.7 156732.88 116994.47 111605.59 115691.26 134357.39 130299.04 128378.25 148781.51 124346.78 117792.49 100667.54 93179.2 111058.07 86592.51 82963.34 140537.92 149778.62 140693.05 217071 127409.34 125375.96 126896.53 126253.82 126349.59 127383.55 126299.44 127748.21 126306.5 Norpropoxyphene carbinol 39116.48 52320.18 34995.62 20324.89 78454.84 85332.78 43926.22 53574.62 44409.35 33214.63 41134.36 23320.27 37467.99 20805.37 42841.91 35161.99 19726.86 33763.72 41193.82 29303.55 36370.5 49392.19 34329.1 36105.39 65231.01 42573.43 33872.2 41249.45 95324.66 2640.84 31737.82 53278.53 33371.6 38448.81 25570.2 50948.15 48448.54 33224.88 23204.76 26333.35 42204.93 67083.51 32687.49 26668.98 32934.03 27048.23 33957.05 30146.1 4245.6 32240.18 30591.02 50490.81 64175.23 51743.32 27304.52 37350.49 17202.68 12933 33285.06 37364.58 24648.04 38703.85 32688.1 28238.63 21342.26 48404.02 21186.33 29643.97 31357.26 61876.67 39009.78 42099.48 24267.59 45464.31 50784.91 40805.96 39100.1 39314.55 42036.39 40887.62 38477.01 39150.03 41873.18 39086.22 l-Menthol 1687.89 1461.75 1422.39 1240.57 3751.2 1917.16 3635.85 1456.39 3615.53 2339.09 4164.17 5683.78 6275.96 3811.66 2346.81 4308.61 1832.37 3031.47 5994.64 4478.27 3253.91 2660.11 3894.83 3397.82 2142.3 3500.4 3525.32 4425.13 4145.92 3112.13 4819.29 6017.87 1451.17 4109.6 3005.29 3258.44 2457.32 1436.86 3281.93 2779.22 4606.76 4576.69 3387.31 1720.95 4145.99 3874.64 3794.81 4294.91 4071.75 6664.65 2548.95 2882.17 3090.19 3798.7 1369.87 1665.65 789.99 1082.98 1741.09 957.71 1554.83 2746.84 1558.31 2332.99 2836.88 2938.78 2163.48 3129.68 4844.58 1736.62 1364.61 3493.87 2664.67 2898.6 3792.46 3509.61 3552.35 3491.35 3500.29 3533.87 3533.67 3584.4 3444.81 3521.33 2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol 7050.99 5961.75 2549.77 3463.65 12328.6 7771.77 5935.91 12812.01 14706.22 3272.86 9276.41 7793.84 2258.26 3987.93 8232.37 8853.61 1112.79 16584.72 4041.6 25269.57 11434.75 5094.92 3941.45 5754.33 10206.09 4189.33 2753.44 2104.66 6336.99 1747.56 10858.25 5356.44 509.3 2203.91 444.62 5402.4 7808.47 4051.52 1200.82 1047.58 6059.43 6908.63 1955.47 993.61 8485.21 4464.09 10692.49 4264.05 719.07 4895.4 3693.57 1511.05 3142.77 5162.15 4438.26 3728.22 1493.35 1554.15 5848.01 1726.95 1138.97 1687.13 1816.65 2705.67 2768.48 5721.13 8053.03 2911.57 5347.91 6153.98 3451.44 2911.07 3540.33 2948.86 938.84 5491.42 5648.76 5493.17 5346.48 5486.87 5341.42 5497.29 5297.28 5456.21 Melilotocarpan C 4425.2 5080.09 5984.56 88106.97 108053.07 3435.59 37827.47 4083.89 7364.02 45150.28 25046.59 22570.68 5084.53 2740.36 21705.96 28652.72 32096.8 10724.66 5406.22 6089.17 11003.66 7151.27 8571.23 6156.35 9661.9 46066.17 34194.76 87238.74 36994.76 87736.24 19968.06 12355.32 16462.37 35794.58 60182.94 66062.52 22430.78 32892.47 51901.34 57504.88 129257.67 107609.97 62811.05 51542.17 80661.08 49198.66 22507.02 13165.43 58233.8 30804.54 16669.16 32982.97 40216.51 65609.46 64492.56 38834.03 11694.98 34184.68 74851.85 35014.53 46325.77 48034.82 14647.41 68027.77 77753.56 19319.77 3025.48 101265.69 52382.62 23100.21 45869.57 50676.79 54403.85 65067.43 7202.29 41464 44083.21 43051.72 45542.14 40385.88 34794.72 41598.32 44063.41 41451.84 2-(1-methyl-1H-imidazol-4-yl)acetic acid 237.35 14033.04 3475.54 1978.83 7579.42 3484.41 1524.53 6613.98 37252.4 4350.26 332.94 8748.98 11461.98 271.95 19119.31 1574.87 2130.92 10971.77 29184.31 400.85 23642.87 5714.35 4084.59 542.89 2663.91 265.07 1710.17 280.95 8377.31 571.63 3876.72 258.68 43556.7 1438.79 854.3 4876.39 479.89 289.83 481.95 592.09 2084.32 494.95 4499.65 753.02 339.43 8420.1 13294.01 45232.94 2557 2527.55 1868.33 514.52 424.24 11270.61 4135.04 2205.18 4751.89 2336.88 7928.73 2511.78 341.9 2598.81 456.81 694.5 4505.19 1220.6 27063.01 4526.61 471.03 3141.12 11808.44 488.58 2340.19 1398.31 12551.02 5078.32 6532.08 6224.6 6404.49 6542 7302.01 6229.67 6510.25 6540.26 Nidifidienol 56142.66 56839.42 84339.67 83863.96 53669.14 60137.24 93097.43 37752.93 27409.21 27597.66 62198.47 68180.16 117740.26 88072.22 43637 61183.38 70083.23 42983.55 41095.69 31037.73 48460.3 11059.75 80162.4 94311.04 47087.17 20869.55 32016.45 33619.24 16499.3 3550.48 25605.81 13843.62 8930.4 28871.95 36180.13 16439.22 32050.75 16412.59 36365.57 27107.57 11326.88 18354.93 23050.69 39402.08 21306.67 41622.25 26496.91 36462.17 32305.62 29389.91 22586.51 24176.07 21160.33 37836.19 21604.93 32989.08 66299.26 31428.57 17622.59 15497.2 39627.84 42702.22 34185.15 41861.89 26752.42 27396.95 25594.7 38903.78 54109.41 28524.23 18433.74 15956.22 27018.71 27963.98 73713.93 938.5 4190.96 639.46 3530.6 8310.1 4245.38 6176.79 4246.98 5600.92 5305.24 1100.1 2775.62 2259.47 3699.25 884.66 4093.38 4439.19 10833.18 7708.2 5177.14 10824.59 7760.74 8021.93 32367.19 32372.18 31525.97 31406.22 33744.48 31525.49 31544.67 32446.29 32389.82 3,4-Dihydroxybenzenesulfonic acid 6416.75 4399.3 808.91 9249.76 3397.61 10152.53 8395.36 5329.92 5363.71 1734.56 743.06 10506.99 7070.61 8553.26 6519.01 1421.61 1703.91 19001.08 4784.44 28047.28 3070.32 4083.47 1471.85 2246.69 2031.67 3174.88 1392.75 3293.75 14082.53 2468.08 30053.97 7026.45 1366.95 710.18 1510.14 12779.81 1395.79 2604.7 1426.93 668.51 14659.35 7499.92 1316.69 343.04 17704.51 6140.32 15769.87 6229.5 5444.11 8564.61 1815.35 4646.04 2099.24 1464.98 2246.49 3374.14 1965.37 507.07 752.88 1182.65 885.36 864.04 2911.27 544.15 894 4933.71 9274.48 3297.35 1940.75 1123.93 1853.03 1011.95 2707.51 1183.62 395.65 3829.11 6574.68 5928.33 6314.58 5966.72 6024.37 5928.46 6361.64 6378.29 5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal 129718.56 112613.02 200301.31 149335.33 118156.13 13061.26 3390.62 102391.53 15459.35 33744.1 147988.45 158216.95 189133.72 162689.36 110783 143825.33 158522.53 100989.79 118142.75 12507.61 39826.03 37194.45 198757.98 152481.43 137825.55 121085.71 178814.61 186162.31 79633.25 245903.98 93645.24 20921.36 50673.43 138026.59 154414.91 147772.06 149924.83 132645.58 251095.31 169430.87 162975.15 168569.18 194934.42 170494.25 126970.97 223695.7 106837.5 16722.83 159070.05 156450.96 165490.82 130299.15 153160.46 204093.91 314474.82 139351.1 191527.52 164359.69 113468.1 133594.66 184646.03 149300.89 128797.04 201005.44 120289.2 147570.13 21368.19 191425.46 151794.98 59089.86 37747 122187.4 148810.36 158773.66 214328.74 12565.82 12504.92 12308.95 12006.55 13318.32 12967.31 13498.81 12717.93 12722.61 12472.33 12646.08 12631.01 13449.6 12344.3 13318.03 12548.56 13882.6 12715.99 13134.35 12453.8 12158.69 12209.41 12781.05 13078.24 12220.95 154523.32 156179.58 156114.13 156121.33 154915.45 152325.6 156765.61 154742.59 154551.08 9-Fluoro-11beta-hydroxy-16alpha-methyl-pregn-4-ene-3,20-dione 4845.29 21207.15 25714.81 100630.78 239905.5 273792.91 239737.51 10862.51 11383.29 5357.37 14281.86 9537.82 77926.36 13511.72 21990.66 31677.51 20148.97 35415.4 29638.26 20453.65 17062.65 104480.16 20303.81 22554.39 5471.31 4470.45 11747.85 11236.06 22406.22 5916.9 17838.72 8434.74 27001.02 14698.22 24867.91 4602.64 6478.57 28051.44 4111.96 7582.49 85608.87 7462.25 19493.03 9376.58 12834.14 55719.1 9651.47 19889.63 6103.23 41014.29 6751.96 11333.89 21025.93 31863.19 11746.56 33037.88 40383.88 33078.82 21135.27 44838.86 12156.15 12923.74 8398.42 27544.18 27032.88 11256.59 15108.39 9338.68 11541.67 13394.55 10572.92 21902.72 7317.23 46945.88 34527.78 34576.21 34588.16 36982.7 34830.43 31159.54 31829.18 34568.51 34159.27 32985.42 Verimol J 1114775 883568.1 1649339.45 1868258.05 1387639.75 1466394.02 2306769.92 1385531.68 1307190.06 1846921.5 3176413.97 3338546.67 2948354.55 1910493.07 1238806.88 3379856.8 1670456.86 1111532.33 3303139.91 1438323.47 1338859.33 548596.05 2704980.75 2292611.03 1365029.06 1104323.26 2892086.61 2954462.48 1467722.94 1340371.45 1423725.82 4033976.17 840991.56 2321385.28 2066232.4 1205479.65 1163877.1 891500.45 1773830.66 1542483.39 1409993.41 2188038.76 2187359.63 1267361.85 1350949 1931922.71 1234720.65 2081071 2014533.79 4066645.51 1318745.43 994277.53 2009501.21 2650659.87 865645.64 793153.55 966270.03 1256520.76 929178.67 524484.51 1200703.96 1182684.16 845896.82 1566274.63 1927002.81 1220862.09 1400304.81 1637736.25 1967723.57 1189596.21 1063188.38 1986257.63 1684071.4 2313844.57 2065839.98 1813779.1 1807709.4 1795983.48 1804698.76 1807715.46 1808110.46 1805492.52 1804695.56 1804404.16 Chlorogenic acid quinone 16099.53 423.59 3126.32 138.82 1626.1 6783.02 165.27 1358.97 1563.9 925.96 214.15 17380.87 6885.72 960.63 2445.64 2020.39 1218.12 1183.64 832.93 591.72 1333.28 149.83 674.25 499.06 1580.08 621.49 1410.75 8692.47 72821.35 22801.05 92642.98 20391.79 19932.44 2248.35 4233.12 67106.44 23164.05 2171.08 6404.99 3935.75 48120.82 47914.04 1475.59 4889.38 47016.08 5114.3 34792.41 10519.98 30034.46 32197.43 21698.14 8047.23 2710.24 3283.18 17047.69 25232.86 2232.53 278.75 17316.18 5775.54 2918.85 1472.83 5958.11 2280.01 10646.54 19036 16481.59 9913.29 14751.12 26642.16 31458.27 21134.1 23552.97 2645.27 7009.56 21945.35 20470.24 25738.34 22855.54 24648.89 22189.72 22505.67 25695.53 24158.29 Lycoricidine 6218.67 10179.23 5021.69 5595.19 1817.08 1494.21 2570.65 5413.7 2381.42 14602.66 10230.69 14959.96 16218.7 9561.86 7712.54 6360.43 7308.84 20260.23 12547.85 10122.59 7480.52 14747.8 6292.64 9889.05 15388.87 13119.79 5474.65 10135.87 14812.18 3313.76 12379.48 15128.56 4363.15 6966.01 7703.21 16822.88 10228.05 13791.65 9091.14 5899.81 37277.26 12798 5556.6 7603.48 25944.47 11211.84 15507.99 8024.55 3910.67 13873.83 12305.29 3711.45 7257.11 11610.49 13766.1 10216.66 3604.04 5211.01 11126.42 7341.7 4846.11 10049.5 7953.1 9666.92 4577.46 8875.01 1027.81 7981.37 7048.44 7973.16 7951.45 9296.93 5102.53 9300.16 9818 13110.63 13127.37 13159.58 12760.74 13107.85 11912.89 12561.14 12767.14 13166.32 4-Aminopyridine 9356.15 2622.77 5831.56 8740.38 23802.28 3392.6 22839.59 18404.97 8806.51 4633.57 17618.27 32670.75 85001.98 10600.9 14408.47 7419.13 6347.65 4262.41 1009.71 4056.05 7184.28 588.12 18912.96 12482.15 5922.75 1408.49 4585.48 18830.87 2888.15 3863.39 10338.24 10756.25 1684.73 6887.81 18953.83 8343.31 5113.74 5959.85 14893.01 19391.11 4331.15 10744.1 6219.03 2633.32 3414.52 117893.58 3120.83 16558.6 11040.82 30500.72 58000.21 4743.26 13647.95 41077.49 6890.75 4477.11 10433.35 5637.76 5120.77 6878.39 18975.94 22603.12 39052.29 24607.54 7554.48 7357.03 2833.85 21071.5 5115.41 9182.34 4955.69 4858.59 14701.81 6392.38 19870.58 12944.97 14069.62 14956.82 16069.61 15380.68 13015.97 14963.65 14957.17 12558.12 Morphine 658.26 3107.59 1051.53 3503.2 17932.68 3322.87 2787.81 9396.32 5223.84 3123.22 2240.43 561.22 2607.45 2751.5 9763.51 3807.54 866.92 11670.85 1027.13 10815.17 1911.69 766.78 2993.67 1079.26 5040.7 5896.63 883.95 3728 2805.41 4694.75 2350.5 838 6205.65 660.14 2000.1 2012.73 3550.32 637.83 2132.17 864.06 2573.43 1078.33 1742.51 3159.11 14300.16 4498.04 4290.99 782.22 1781.44 2154.65 1936.47 1499.68 585.08 4590.32 7286.68 1762.35 595.35 2451.51 2432.8 5065.59 3370.9 3840.96 5374.54 2878.3 6431.77 1617.34 865.81 2968.19 871.38 4929.3 9751.89 1464.08 1279.85 3944.18 1328.04 2723.73 2734.13 1135.05 2489.55 2435.58 2843.74 2749.86 3139.54 2348.59 Peonidin chloride 2738.63 1694.38 4165.88 4180.63 4697.72 866.35 4182.09 5734.08 6751.36 2987.47 3280.82 3609.72 1605.77 1858.24 5726.57 4033.48 1582.06 11905.33 917.67 2966.53 2970.77 4161.71 3667.29 4007.64 8728.23 780.84 1797.32 3736.27 7643.79 3373.64 11567.93 4963.49 7369 8294.27 5238.49 11151.45 14523.15 3266.83 10120.5 13442.48 13870.38 5686.39 4185.45 5664.32 2791.75 5296.65 12988.81 9059.42 988.34 1295.06 3232.03 4604.01 4100.83 8134.84 4038.17 2201.84 1963.94 4394.86 4345.36 4690.15 4313.73 11333.86 3764.17 7263.49 1909.32 3686.51 4157.52 4304.28 1597.08 6263.77 2894.34 1181.28 7390.41 8301.7 5661.49 2935.2 2920.51 3414.26 3374.02 3299.57 3346.69 3381.45 3112 4026.23 Methylpyrazine 7510.85 6203.01 11722.32 15627.13 14289.08 5513.72 31051.14 8903.74 6131.24 7912.94 2216.99 7881.97 25184.33 9719.63 6230.95 14726.45 14461.45 10137.26 1334.1 3201.01 13770.01 1963.53 9571.8 4145.14 9796.02 2400.07 8285.58 5347.04 5362.65 6568.24 5520.78 4924.52 6319.02 10119.74 5826.92 5480.79 10282.45 3383.09 9764.02 9018.39 7626.45 3965.62 25798.79 16307.98 6588.62 42465.17 7642.37 8738.6 6336.62 8009.36 27799.23 18139.53 8357.78 22877.01 14414.52 13317.86 14822.28 15787.51 7867.38 18741.21 23271.23 13935.98 16943.27 13331.1 12701.46 8341.15 6999.86 10899.39 12742.42 6944.35 7821.46 10066.48 7786.31 13404.11 36305.21 10140.38 10119.94 9627.05 10108.79 10005.03 10220.73 8830.91 8438.44 10116.82 1,4-Dimethyl-7-ethylazulene 4654.03 20291.98 21729.64 13299.02 14866.09 1863.81 17858.99 7553.26 6088.68 7961.06 5047.2 28950.03 40931.48 2014.93 25374.9 16418.6 6563.37 15475.76 11003.64 4427.68 1607.7 5556.69 15351.55 21618.6 10956.86 4904.01 12453.08 6778.8 4888.68 987.74 1079.56 8493.58 8576.81 6420.52 7723.7 1955.68 2485.73 8087.19 3126.81 13427.12 1314.61 540.39 20424.06 3101.98 1318.65 18068.56 3514.63 10571.16 1228.28 4397.9 6599.7 3835.8 13166.14 31081.23 7445.65 11880.77 22070.25 12663.68 5961.01 14770.87 12677.79 2850.19 21360.15 27969.5 21723.21 20847.45 2289.49 3055.5 14515.06 4976.79 2906.85 4481.48 3478.05 27640.47 21611.8 11572.07 11246.26 9714.67 11625.12 10993.07 11030.43 11682.05 10907.82 11199.76 Samandarone 21139.44 18358.83 15182.95 35332.38 112643.19 104979.01 152932.27 28987.73 3042.04 25329.22 21728.05 23373.46 44258.61 14575.55 13145.97 16761.89 9596.95 5146.2 2486.95 502.95 37607.99 41445.39 40792.26 19996.72 27899.21 18134.74 4293.72 11858.58 41982.15 6247.89 14946.35 27383.6 16791.82 22785.94 13971.97 19031.82 20398.29 16143.85 27243.68 10096.13 48772.58 74148.13 17138.76 8700.69 28053.74 36647.48 26586.66 6992.59 15602.9 10868.67 40657.13 27211.74 20565.12 16068.04 41040.64 14787.98 7356.66 9224 18354.24 4202.32 12738.03 20842.64 19361.72 20509.84 4943.64 34256.35 2653.23 8979.29 4340.11 7755.24 1652.53 13603.03 11792.13 18541.73 6867.24 28049.57 27980.61 28531.39 27873.51 27871.98 27870.81 28028.76 27871.09 27935.21 Lansine 18726.16 4352.97 5491.41 4881.12 17257.38 8684.22 1461.07 25986.62 14344.62 8316.04 21422.17 14183.58 12514.5 5858.64 8851.17 7986.46 532.49 17181.16 3949.65 6969.62 21534.54 6557.15 13636.73 2918.95 24010.75 1705.52 6999.57 22401.6 3450.1 6015.04 8417.08 15546.7 1232.63 38330.41 89478.23 13609.34 27512.81 7673.42 10680.78 27613.56 6519.34 19486.3 43772.19 6189.51 13484.49 21780.85 13414.28 1885.09 16649.88 11905.92 22689.34 28955.55 66398.1 41520.73 19511.47 3164.69 17434.29 10418.91 14023.87 4715.98 2464.49 5116.37 35694.76 70855.37 12951.05 49748.3 6645.16 3990.03 4752.91 18488.46 7362.46 5932.17 19036.64 31153.39 19278.55 16709.64 16707.28 16272.3 16456.11 17278.84 16417.87 16701.14 16691.06 16706.63 Azatadine 25032.91 57146.05 51763.78 59657.03 61755.64 140559.11 38606.25 25370.13 29242.74 29925.06 26350.3 36196.35 58250.17 21860.69 39896.64 61566.58 36889.04 33010.87 53680.32 66306.5 41868.98 69858.87 20801.01 17725.35 25246.38 46028.17 14881.29 10687.54 63546.1 19166.05 40168.49 21024.46 57672.12 34926.29 31884.02 20880.34 26605.17 94536.54 6110.35 13307.37 37515.64 45626.86 34768.27 20296.45 16013.56 36337.65 47771.31 36482.41 52871.29 74527.11 29675.24 48853.89 37478.74 33395.28 25516.35 43331.47 36823.3 32614.38 32267.27 58089.13 8332.24 17796.94 24690.85 58598.02 58285.02 22763.03 44363.11 19215.87 26478.96 28035.61 42618.43 18308.2 20193.94 70274.87 44964.32 42722.9 40521.73 41837.46 41282.98 42791.94 40537.05 41826.57 41274.16 41825.12 3,4-Dihydroxyphthalic acid 28801.21 51948.98 20289.74 30559.76 43582.36 102272.18 61079.03 43137.14 64058.08 13876.88 35532.32 49739.51 37624.76 33897.24 46675.79 37546.69 25570.6 30808.64 42384.67 69686.75 47739.74 37391.94 29631.21 39236.14 28078.23 51775.96 16437.38 22085.03 44291.86 6283.05 52540.05 43007.8 33043.71 18294.01 16087.2 22143.1 19484.74 22259.62 9898.83 11990.48 22909.79 32388.12 21201.13 14594.38 37381.41 30951.17 56950.14 36295.43 21091.77 37269.24 10419.28 30757.62 19174.83 27392.15 12130.08 32436.53 13489.08 12046.79 34471.4 16483.42 12736.74 10950.3 25296.21 20111.7 25146.16 20369.23 37682.98 14548.51 25185.06 28139.5 41765.71 19649.4 9778.17 21529.39 24709.11 29215.57 29752.02 29027.04 29429.72 28789.51 29030.36 29037.96 29360.15 29331.62 m-Cresol 16715.24 14820.17 10113.86 14756.44 17924.11 21176.67 22785.26 20688.97 19741.98 14970.39 18200.85 18964.43 10893.81 11166.83 21127.03 23154.41 18253.09 21072.7 16519.7 19630.57 27657.58 14885.03 15818.45 16097.43 17629.59 20953.93 14125.42 11337.19 24596.65 1781.15 12541.02 7250.46 8413.98 10521.3 4452.6 7866.09 17199.96 5461.67 7769.46 4054.06 4609.42 14663.73 11477.09 5149 7355.5 19125.34 17050.37 17365.21 6857.9 14042.5 7882.05 17817.22 8062.87 12716.31 7215.37 15683.25 5984.94 6047.17 16786.12 4231.43 5992.62 5723.35 10714.43 10851.25 9618.44 13347.58 12747.57 12236.33 15001.72 12269.75 12893.65 10727.81 7965.39 15370.35 19383.82 13296.55 13588.89 13186.33 13312.12 12907.09 11777.9 12922.69 12937.89 12952.16 Occidentoside 18358.35 805.4 663.64 268.82 1736.68 3459.41 345.01 18569.38 2761.79 8612.16 1646.51 7850.81 1411.33 3312.42 5447.38 4120.86 1692.66 2744.99 3654.99 3353.6 6452.15 387.96 1633.6 729.83 14222.4 1187.4 4323.24 11320.75 11010.93 9219.76 5581.19 1062.49 3635.44 550.86 451.8 10276.02 4512.78 1064.11 1852.19 1194.43 7081.23 8577.57 2185.81 679.86 7413.52 1626.29 6181.31 2237.53 3863.15 3865.54 4082.5 956 457.4 597.53 3633.83 2002.26 910 963.3 4336 489.69 396.61 615.74 1269.69 1326.09 9022.6 13062.13 5434.51 7249.38 11093.35 15979.77 12491.74 3380.11 4953.1 1051.97 2514.81 8260.22 7909.65 8213.91 8190.93 8023.41 8075.54 8216.28 7909.87 7955.71 2,3-Benzofluorene 15752.84 15401.79 15340.14 17554.55 37582.96 36988.45 9538.29 29984.54 17236.19 15276.95 14470.75 24587.24 28543.96 17106.04 19223.26 23102.87 16771.14 17014.94 37692.05 20728.97 15699.75 18259.03 8113.02 22784.45 17482.29 28172.41 11619.92 10345.35 42014.27 7925.24 25529.04 45220.67 18098.57 24223.31 16505.68 29424.18 16727.53 16068.75 5593.22 9142.68 36223.38 74320.23 11868.72 7285.11 20309.77 18770.62 30933.05 20190.3 21413.48 36361.86 50935.66 14550.24 31730.54 11381.05 13153.08 18388.36 6302.25 4224.94 13675.05 12766.81 6968.09 5990.5 13201.16 10375.6 16069.35 23816.42 17340.83 4775.81 14217.87 16349.13 18843.24 10274.03 20630.8 13303.32 14075 21155.59 22653.43 22795.79 22266.2 22968.74 22672.59 22265.74 22634.44 22443.02 Frovatriptan 28449.8 3456.82 1185.86 997.31 31383.87 2787 4009.81 42680.18 43539.59 4900.06 3654.15 5003.51 5408.66 3202.98 20991.99 2336.25 4604.99 27085.26 13469.21 49806.33 29949.35 1108.41 2863.3 2008.84 46460.38 17997.11 1189.7 3385.86 48693.93 15428.04 65977.51 6997.39 18332.8 2041.57 1419.2 33171.85 24145.52 952.01 3119.91 3377.49 47759.92 48688.72 2486.74 2608.09 31207.9 995.11 55502.14 5190.69 8110.2 25347.29 12994.53 3281.45 1995.91 484.37 16371.33 4028.15 775.16 1631.77 21992.43 2768.88 2418.09 1568.03 3354.53 2917.13 800.41 25591.38 8196.71 4321.23 5053.9 24868.41 28974.81 916.11 4573.46 5070.91 465.28 7999.92 7252.27 7936.74 7074.08 7939.08 8119.9 7471.46 7994.43 7487.83 Desmethylmaprotiline 2852.79 1289.67 1691.22 481.29 15240.88 570.39 3073.12 3583.67 3263.57 3897.05 1822.9 7704.2 6100.96 3834.83 2808.97 7144.75 1535.31 11317.06 4962.84 3150.33 9584.49 2099.18 2681.01 1346.35 4818.66 4856.1 3453.67 2311.35 6909.73 4844.57 3450.63 13232.94 3104.45 3053.44 2110.26 3889.99 5183.27 1159.33 744.06 961.34 3414.81 7920.02 1755.36 1265.44 8784.86 2587.72 2907.19 2056.65 6588.7 6761.21 8429.55 3059.34 2485.92 2325.42 5628.05 1314.25 637.04 441.99 6451.14 2397.11 1625.45 1532.82 4014.55 4349.54 644.77 5034.93 3835.67 1939.74 784.9 2834.92 1895.2 3671.22 1711.38 893.47 1491.34 3966.32 3819.53 3845.61 5046.31 4002.48 4354.34 4260.01 4250.16 4126.43 C.I. Pigment Red 149 53038.64 19518.59 8853.49 9599.69 13267.6 1058.7 16773.28 44829.27 23284.65 4068.84 9794.18 33426.25 1081.41 19084 41424.9 28715.96 11154.24 53346.96 16974.03 29684.85 36769.27 11604.95 16821.51 18769.83 36710.35 13196.56 3399.49 2091.74 33951.9 535.4 53746.99 894.98 18996.57 4373.54 5696.64 12197.98 30477.78 11791.03 15890.71 18458.45 3678.55 2120.84 10003.26 3215.63 23826.09 19020.55 51229.21 19341.1 1637.66 3184.78 13650.32 15443.57 4716.57 13157.97 28108.66 14877.91 8879.32 2120.34 13299.55 8482.29 4071.14 10996.2 26073.52 16677.95 8994.06 45364.4 8914.37 15180.24 27256.42 54343.68 29919.78 5425.22 36573.36 15708.62 25341.01 25061.57 23792.29 24114.63 24923.06 27244.75 27848.19 24002.57 25076.96 24001.22 Sophoraisoflavanone A 1245.02 6492.93 16639.86 16645.09 11242.33 10586.84 16462.83 5177.14 1541.63 7960.46 13621.87 16942.33 34723.46 13288.24 8679.01 15901.15 10724.06 6321.65 12807.86 11192.75 2429.47 618.27 29367.81 14408.21 4604.73 6020.8 18048.95 10904.7 8761.09 2334.93 6473.09 6094.92 1181.75 14235.18 9381.48 2953 686.61 4863.09 14410.92 9003.71 4822.02 841.76 5171.35 10825.35 7825.81 16638.3 6702.94 4310.08 12179.42 14372.74 3258.71 1144.26 4182.07 16080.49 1919.17 3015.64 9190.88 6279.89 892.8 3581.44 5666.33 6648.01 3382.02 8541.84 9342.47 2217.78 2925.61 10786.56 15499.16 1176.55 2512.67 1600.06 4763.89 9272.64 14661.6 8836.44 8887.74 8722.83 8898.02 8723.68 8813.29 8888.85 8729.02 9045.92 Lysyl-Isoleucine 2865.14 13525 3115.24 4729.45 38434.68 10710.13 6214.56 22583.49 29305.79 12094.57 1449.13 11838.68 4700.47 2303.78 36693.05 17292.02 7002.18 12530.44 12306.9 22803.51 4898.74 4434.11 2669.61 5216.22 36156.99 26031.77 14749.81 3986.54 14396.38 469.7 2917 11734.64 13705.15 4328.34 944.86 18643.27 12259.96 2650.79 2623.97 4782.27 1881.69 7044.17 5442.37 821.75 7375.55 4594.85 8335.69 7188.28 3690.52 10411.5 8340 1229.12 5074.05 7438.26 12933.8 9619.79 4959.86 5025.97 8792.39 10389.91 3406.62 2422.26 5601.89 4396.98 5738.03 14942.78 2686.21 3476.01 3710.29 14453.56 8451.78 4122.26 2390.84 6861.39 2760.04 9368.73 9639.75 9732.28 9707.57 9638.63 9699.01 9637.66 9646.1 9707.58 Noscapine 14674.89 1035.47 1220.16 3029.98 10460.67 3272.41 10917.18 5190.89 6765.84 1446.99 3077.56 4359.9 8476.96 6203.83 2409.62 7375.93 6781.88 6812 750.57 1830.7 18545.49 6643.31 4748.96 9655.76 3880.42 1011.32 1577.92 4019.51 13024.79 11367.64 22725.12 205.78 351.81 1598.15 2240.44 2022.88 6012.08 2255.48 6280.11 2855.28 38049.61 15889.79 697.18 5182.86 9682.77 22777.33 6155.27 1300.25 9494.78 38114.95 6278.79 3745.45 1348.85 8653.18 4266.38 1949.99 3968.1 431.26 2968.46 909.36 1594.68 1020.63 3179.16 2422.39 1797 12487.95 5257.2 5554.78 8642.69 19152.56 3578.09 2568.93 8110.58 8260.27 27281.35 15601.07 14633.47 15374.52 19922.62 16983.07 16803.7 18370.53 15393.82 16719.82 1,N(2)-Propanodeoxyguanosine 12615.41 20239.08 47079.54 30131.85 7265.08 3119.69 12551.15 15587.51 30926.58 7145.13 30584.49 18328.7 42634.41 19501.47 17096.71 20511.54 6593.54 21842.55 16663.11 24333.05 18771.91 13937.39 25460.99 22509.68 21464.7 27492.8 20654.52 20102.54 21816.11 7541.38 16059.86 2692.84 18938.07 34663.53 27908.95 6561.82 10172.51 3636.08 19116.14 36676.6 1920.89 11015.78 19486.18 18200.41 13486.64 17227.64 12011.4 5687.48 8821.74 22188.69 23128.09 6071.23 31053.55 57898.35 17514.63 27532.09 43335.98 20928.45 14535.89 1790.69 36216.92 28438.1 39877.32 43662.87 23920.26 23473.53 9458.71 20423.34 20931.67 25552.9 5392.04 11097.77 17304.18 18242.73 72420.18 20900.57 20614.96 20475.13 20878.89 20443.22 20775.17 20775.17 20445.96 20878.63 Phenylacetone 12756.81 5144.88 2650.15 2524.55 12153.51 4517.01 1319.14 15337.48 16197.41 6720.47 2434.19 5423.27 1679.6 2549.52 11809.46 5872.46 2295.04 8449 5654.51 17268.55 12256.89 1172.3 985.12 932.48 14603.06 7428.62 3357.77 5869.79 14603.05 5242.39 17972.15 6884.37 7492.09 1101.37 876.85 11585.26 9166.1 3283.77 2242.6 2731.32 12504.33 16380.7 704.05 1058.54 10642.06 4239.6 15756.43 4837.11 8395.61 8352.43 8082.47 3214.6 766.96 2025.55 6176.63 3969.95 2113.99 1566.14 9483.61 736.65 2422.87 2420.3 3850.55 710.69 3161.83 7699.46 7323.79 4293.91 4486.46 11445.52 11603.52 4870.46 4079.89 1030.26 1641.19 6717.76 6622.45 6819.19 6717.68 6717.62 6609.44 6618.09 6722.2 6622.32 Potassium bicarbonate 838.36 1000.49 21441.67 35378.27 9276.29 6578.12 14534.97 527.83 3915.17 3262.84 739.08 3556.72 2877 899.34 1190.39 2253.9 1196.82 979.81 3875.38 3389.27 12308.77 3354.69 431.41 935.1 829.63 3831.01 550.62 495.51 7190.78 2797.24 4534.87 5806.32 535.42 1179.66 2424.83 603.08 5053.79 1963.57 481.5 1045.36 2660.96 480.59 753.3 799.73 1282.48 14270.93 3533.65 897.94 3838.3 1140.79 3989.18 1013.36 1156.45 3050.07 841.25 732.22 23522.12 16692.27 994.84 2663.12 934.53 1092.55 1224.39 2610.94 1008.78 3057.61 16121.26 5860.59 1531.97 938.64 601.71 1495.73 880.96 2343.47 3379.88 3307.47 3347.41 3300.64 3272.63 3346.69 3302.84 3317.95 3347.28 3349.1 Benzyl cetraxate 675899.29 694398.12 336869.96 657950.11 509719.43 734304.31 614328.67 1112726.97 713294.53 234307.44 435288.91 389072.08 851194.94 619570.09 378175.26 394847.16 209660.05 739557.49 613303.31 1077767.39 275957.98 239639.04 415783.99 340377.54 294345.23 1343265.92 146467.58 293238.74 852556.75 368731.49 1168512.52 1134442.47 244213.27 203972.75 213848.56 379862.78 229063.14 257010.62 140213.32 450141.31 906594.05 1063036.03 152119.88 253314.07 1145262.69 524353.02 530947.23 637771.13 880765.98 1395296.51 1350111.57 694541.09 382423.98 606435.13 436885.33 694563.99 219422.43 235092.38 197653.32 131264.46 412746.12 170543.48 516578.6 238075.86 327823.77 589244.21 1151163.99 365473.63 376556.26 162117.39 447053.55 366572.57 313627.14 398005.5 325731.38 417861.77 402976.8 400360.23 398371.84 396083.7 396229.85 394496.48 395492.64 405129.9 4-(N-Maleimido)phenyltrimethylammonium iodide 17516.31 17269.67 24453.43 18123.9 21353.01 9649.8 17170.26 14093.31 13888.14 11272.44 15105.29 25484.12 17881.17 16916.01 18070.74 13423.86 13787.16 14526.69 14099.77 16665.82 16267.22 4870.26 20150.51 16571.56 16691.82 7370.47 12152.08 12064.25 8252.19 990.87 2559.16 3625.14 3134.37 10787.69 8515 2963.7 8336.8 1909.08 10576.93 7247.29 2174.82 1907.98 6708.98 9849.35 4351.45 4932.11 5140.51 10838.67 2756.35 2871.01 7367.55 8057.38 7372.15 6358.24 9700.33 9390.9 10781.34 3524.45 3031.54 3234.84 6366.48 9842.32 4933.93 5051 8685.1 13736.09 4351.04 9421.92 11785.03 4531.75 4590.92 3451.68 5084.8 5706.79 4378.05 5988.76 6093.93 5438.14 5792.18 5654.79 6020.76 5434.27 5990.68 5453.08 Lobeline 17856.82 20035.51 11877.82 40188.65 5183.69 48366.6 4551.5 22688.85 24373.76 53827.66 113156.45 129974.08 87717.96 62695.33 19098.49 55847.95 82084.1 35166.88 98564.56 12270.23 16491.1 21889.66 89627.86 79699.01 25990.22 24347.81 53545.8 61713.07 24880.85 100918.7 83348.68 98231.11 14051.22 71256.6 68503.68 12976.95 32538.78 11860.17 57538.23 47347.18 11025.52 36603.59 62310.62 52237.08 22949.49 49558.93 29466.6 88763.35 67461.25 106510.32 15593.89 11813.3 74656.64 98189.03 20530.22 14420.39 24850.45 45576.44 13669.38 9243.75 41127.14 42749.14 16856.33 99035.22 70275.68 21993.37 25917.22 29890.18 62271.24 15122.24 22101.31 41144.99 78365.34 87431 91669.72 35531.26 32796.17 34066.23 34267.85 31974.16 33629.43 31626.07 32175.64 34069.41 Lipoamide 17454.73 21861.34 7882.19 1217.89 12352.82 12892.36 4521.11 24896.04 26756.57 18204.68 10439.03 6030.1 8876.57 3835.61 24262.64 7642.95 8360.2 14577.39 14038.94 15380.49 24418.31 25585.32 12524.32 8978.11 24499.32 19953.26 12357.73 8973.04 19270.3 4808.46 15913.08 11170.59 22054.7 9990.48 9139.26 16388.75 26948.46 27885.31 10008.37 7845.37 16066.75 30983.27 11111.89 7661.2 13893.18 4236.83 16824.96 13343.33 7119.61 3619.75 18877.33 24793.59 7213.77 7631.54 13036.43 27750.49 7572.63 2597.41 27152.37 24259.9 6944.37 9921.12 23331.41 9871.39 7418.29 23078.65 21346.08 8726.18 8219.32 26261.55 25713.51 17623.31 9497.37 6047.02 8057.22 14918.58 14481.85 14481.57 14631.59 14473.18 15019.73 14480.63 14659.94 14473.01 L-Homoarginine 4389.76 1702.22 7083.6 5461.11 3013.23 10494.39 9988.95 4492.47 1616.57 7384.96 7156.5 7905.45 12229.68 6179.42 4432.38 10116.24 8102.48 3771.87 4268.41 23890.17 615.95 9296.1 6555.26 9182.03 5334.18 5115.32 5444.58 7362.68 11259.7 8509.72 7496.08 19950.22 13473.42 13076.81 11037.77 2526.76 6292.97 17949.19 8653.33 667.3 849.34 5354.88 1082.74 6269.06 5205.25 9699.14 2940.23 940.8 6739.22 10878.61 6146.4 4315.44 8380.9 13484.48 5478.12 7065.52 633.64 2274.35 2512.27 2930.73 5376.66 3084.57 886.5 12042.28 13597.96 4040.76 879.51 5699.17 6436.33 7036.49 16592.6 14059.73 9132.4 21300.23 13723.2 5472.12 5413.24 5475.77 5463.94 5474.17 5472.35 5411.63 5270.63 5406.21 Benzylamine 19485.85 37926.87 204221.44 38234.2 30308.01 2186.6 18707.21 28652.29 16708.75 27361.59 52039.21 42741.57 60000.08 48698.3 41375.47 54813.91 26568.28 37306.96 31354.28 9473.04 7689.08 2385.04 51292.07 54848.8 31051.09 32964.41 34555.21 30263.7 64891.15 10459.84 30494.17 3444.95 13873.67 65149.55 74893.25 20019.05 34609.84 5403.91 35852.1 63760.54 17939.12 21555.31 55114.07 51928.74 22185 38552.96 27192.64 44316.25 26476.87 65693.94 24204.78 33799.99 61966.68 73348.84 30530.01 34188.77 92803.68 67504.93 24066.67 7585.98 43612.65 72785.92 40682.88 92429.99 48103.17 50277.94 10975.03 42693.61 54216.88 63568.18 9391.56 38201.38 58483.09 99949.78 83784.41 39738.66 39730.94 41321.03 40256.98 40519.7 39884.14 39467.12 39725.18 40352.17 Phenazocine 4149.11 1427.06 3353.49 3552.13 594.19 523.48 3862.81 19176.38 2848.16 6568.06 353.88 5093.27 8887.34 12574.92 25802.21 1554.22 3876.29 57376.48 39073.21 5796.18 19173.96 24543.56 5396.59 1190.32 24518.5 3751.35 5590.62 412.43 17695.81 757.16 12172.24 41358.88 35045.78 1382.27 4578.44 23564.56 26931.48 2211.78 1059.43 3776.27 983.97 13761.12 6571.32 1147.57 19231.68 374.5 19625.47 6658.75 7961.97 16186.86 4961.86 10412.52 1246.05 6470.79 3263.76 14713.23 2671.64 847.01 36304.52 4701.49 927.32 388.89 5553.13 8385.56 10590.61 2126.45 3365.05 518.37 5182.77 31258.23 2142.03 6073.05 11735.43 329.4 3632.67 9683.75 9711.24 8093.71 9848.83 9343.72 9864.91 9359.44 9724.36 9958.35 4-Hydroxyestradiol 7327.86 2746.06 2264.3 809.3 6510.36 1746.48 2445.54 8132.02 6581.17 5011.94 2858.54 9533.1 3619.16 2519.8 4328.82 4043.88 3052.14 3645.91 9572.03 4075.33 9238.41 423.2 11063.56 5302.27 9792.21 4361.65 4552.96 5538.76 4508.51 525.39 6839.22 2837.67 752.58 3275.08 3766.48 2831.06 5689.27 3366.07 1450.16 963.95 8310.4 8203.94 1833.87 1015.22 4273.95 2982.14 3737 1603.4 3686.25 2447.01 5544.18 5240.92 1244.93 3387.16 2189.19 1680.56 861.46 602.98 3452.97 1927.16 9188.56 3588.81 2782.75 3951.85 1805.23 5611.09 3098.97 3056.66 1911.6 5149.92 3283.12 3912.7 3335.32 1109.28 5184.22 4816.9 4660.82 4648.49 4655.54 4737.9 4647.15 4660.4 4763.67 4800.1 Acesulfame 8284.38 44296.02 84731.52 32350.28 21433.31 23367.23 15571.05 8242 1276.5 5886.91 982.06 13721.58 2325.4 17966.7 30716.36 25595.8 83267.31 3070.51 1537.32 3825.24 31419.97 12288.88 5191.86 26964.92 6083.84 3148.35 4651.51 5858.61 6210.62 7758.04 8998.84 8509.48 7282.28 9219.8 8587.18 7176.44 3470.42 5871.68 11256.03 10523.31 5581.86 8603.12 20122.25 38011.22 1255.07 9621.1 7298.9 3788.61 8142.44 4390.92 9313.36 16994.24 10464.89 14107.11 40349.93 28016.15 80459.99 31012.25 6349.81 7011.51 39664.53 8824.31 38968.64 10537.15 7985.75 18160.78 5059.96 25208.08 29933.54 3205.32 5950.54 16629.97 10288.88 14173.25 18703.59 5458.54 4967.9 4965.53 5527.35 6031.23 5410.12 5458.27 5318 2675.95 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one 12889 9935.45 2118.68 21582.17 44958.72 3651.3 570.45 23524.74 29785.42 18102.4 17196.23 29875.14 12345.99 22139.79 18456.63 32514.52 19601.73 49716.25 65934.07 60232 22506.4 1974.49 3779.25 15281.65 21311.25 24806.97 18679.97 9778.35 36768.1 1312.23 41370.41 21274.89 5960.74 3905.56 3405.71 22635.13 919.13 2103.71 9757.21 1778.26 31518.27 8394.03 2622.15 9942.39 35760.34 31469.71 53599.86 23267.81 4924.26 26900.29 11007.34 5509.3 2209.58 15624.36 9098.14 5418 5351.68 1111.64 12792.5 4111.3 3772.74 4128.57 8604.44 1054.11 10818.16 18896.31 19020.65 6810.1 21539.1 19919.58 5046.81 1415.62 8044.11 1230.99 15537.34 17220.89 17666.43 16870.19 17684.98 17183.44 18171.08 17185.99 17186.83 17666.7 P-Dichlorobenzene 29410.94 24731.45 21551.28 17576.05 28150.58 34163.45 20212.95 17447.26 14373.03 20782.41 27227.73 20695.26 20139.31 23644.55 25176.91 22663.57 19924.02 28444.57 29220.41 25405.25 14412.73 14814.42 16792.7 14398.67 28365.26 23676.6 22890.78 25716.53 23785.57 5905.37 18173.73 14698.28 21599.02 16038.64 17084.05 19179.08 21096.75 25784.9 17696.46 18984.9 17465.37 30103.88 19484.04 15794.54 28457.08 14519.42 20496.88 17172.71 25522.35 36681.6 28567.39 26068.95 17632.77 31497.22 21078.74 26507.97 14684.89 14402.23 23728.96 19974.69 19490.09 17401.51 22414.25 15202.05 24948.38 27225.31 16130.84 15664.77 18008.42 17539.94 29188.1 16482.5 21965.57 20249.26 19703.91 24331.93 23398.6 23852.39 24432.12 24315.44 23860.17 23851.31 24332.24 23848.59 L-Carnitine 2859.17 3158.05 1936.86 2343.82 3848.14 3622.59 3854.24 1313.92 1882.13 984.74 714.14 690.96 1104.8 793.36 657.47 3786.02 1225.55 1241.82 4329.51 1707.48 2637.89 3081.6 4413.56 3678.89 2558.39 766.92 751.31 1464.05 3566.39 2016.61 927.37 4818.18 3359.75 4585.48 2385.6 1420.19 1812.42 4414.98 3268.16 1389.81 792.34 2246.84 2850.01 742.17 1561.8 1690.19 1664.08 1497.4 1201.19 4931.15 2940.69 709.14 1255.19 1649.45 1638.26 3682.06 767.43 885.96 1200.58 755.79 1772.72 1975.61 1593.21 3077.38 2948.73 2081.7 1555.79 849.52 712.07 1292.89 4768.38 3525.62 3345.17 4237.72 3772.23 26440.92 25050.68 59540.03 52954.4 45947.66 50291.07 49458.94 10925.97 76308.51 90493.8 94384.07 20068.26 60095.66 10481.24 116606.32 16831.12 91012.37 46152.89 21968.76 46870.23 38699.65 28584.72 52704.56 25130.39 22780.71 1667.43 1749.41 1677.03 1673.04 1674.81 1718.39 1734.17 1598.04 1761.26 1-Phenyl-1,2-propanedione 7988.92 4890.23 8601.97 10290.3 7465.75 6992.41 13981.57 3892.68 2837.47 3021.26 5787.28 8593.75 19227.92 8811.33 4728.91 8038.9 7301.17 4478.31 5003.71 3597.23 4640.11 1011.94 7733.07 8762.07 5062.26 625.48 3152.78 3682.16 1243.96 739.62 3675.52 1257.75 938.38 5645.38 5338.1 2109.35 6910.57 1268.41 6609 4620.95 1058.27 3069.99 4868.3 6780.75 3171.99 9969.13 4080.12 5866.11 5348.95 5783.87 5059.04 8162.82 4266.36 9474.83 5552.45 5968 8417.88 4859.92 1083.23 4115.84 7074.82 7509.6 6304.94 7849.37 5097.95 4779.19 3211.14 6105.58 7873.31 9846.33 3587.55 3227.17 5511.42 7170.26 15566.19 6001.93 5967.18 6001.81 5955.21 5948.86 5719.65 5954.07 6011.91 6003.45 Prenalterol 19358.12 42126.73 37948.45 16352.65 27427.63 12265.34 7029.68 23069.64 26229.61 35065.11 22723.9 26694.45 29666.25 33539.6 21360.42 48138.33 20029.84 33158.5 25146.59 37486.33 25424.02 16076.71 28050.74 33258.78 19325.35 57399.47 19065.12 26283.39 29046.01 6804.77 28978.86 41140.87 19365.98 35707.59 36576.62 22574.63 39396.76 26267.3 38701.98 15215.89 52614.4 63604.67 38902.89 29867.22 41060 43158.17 32599.35 30559.89 35330.28 29088.34 37171.66 26465.56 24986.71 25513.97 12242.24 29006.97 16355.72 18232.03 23174.26 25123.5 26400.17 14187.56 38841.19 18421.74 28074.97 22716.57 4254.41 20280.01 16551.61 54440.81 21545.51 20349.49 18187.41 32873.37 27250.24 36170.07 36165.78 33880.9 33766.63 33787.66 36179.65 35101.05 36134.88 35330.45 trans-Anol 22996.13 6569.19 49513.98 46491.45 39955.47 19966.34 138439.64 18959.73 4983.57 28942.08 32770.79 31768.45 75424.64 29626.13 4139.94 30669.43 10650.44 9692.27 11366.68 2672.32 19660.72 11675.8 55328.19 38268.92 20936.94 3638.71 9124.62 19401.13 9655.95 3133.55 4522.69 8616.72 5220.73 25868.35 11202.54 8232.25 11031.33 4567.53 21595.18 10592.43 1940.95 2056.36 13096.55 6830.65 7180.66 116483.25 3645.3 6715.38 15241.26 13456.69 31299.34 11585.14 10065.17 73207.92 15621.45 3876.32 32313.7 19590.33 2237.81 6404.13 9857.33 15105.89 11169.5 8834.59 8661.48 13488.54 1950.47 19276.56 7487.4 5549.06 1757.25 3002.07 14786.9 19050.96 98721.59 3708.48 4031.16 1465.81 4788.01 5157.13 1949.56 7159.7 6612.96 6848.63 7343.92 4560.28 789.06 5445.96 1628.5 2254.67 3898.54 4105.86 5927.0 3959.66 1811.58 4467.22 4631.11 12929.84 12579.78 14071.45 15154.95 12867.92 13508.83 11752.26 6373.84 13441.67 2-Pyridyl hydroxymethane sulfonic acid 8900.83 5809.94 3293.52 653.07 19153.12 1086.13 15210.41 54756.48 38677.28 30294.81 39269.02 32860.76 20894.99 26642.59 25517.33 37590.84 14256.08 105005.17 37728.56 10484.35 53724.07 4032.42 14850.76 30234.01 38068.55 79368.74 18871.26 23463.53 63927.52 25246.4 111596.98 123004.84 53666.07 24548.83 34975.09 39531.07 44089.47 15881.24 17110.05 14091.47 26663.25 41412.02 30256.91 31136.86 42553.98 23502.76 39004.31 30706.21 41356.53 48527.76 36334.17 18501.37 36971.83 10812.22 16182.25 5476.25 2446.58 14122.39 30796.34 2238.43 11511.05 8347.6 21789.78 22061.3 38929.37 24857.62 15024.22 23028.84 26946.12 35201.65 27444.9 35665.37 29986.86 23948.86 25239.33 36621.64 33935.37 33985.4 33977.26 33172.45 33115.06 32767.91 33523.49 33498.96 Methyl dihydrogen phosphate 898.95 8564.65 3711.69 6759.95 3259.79 2018.31 1413.41 1323.2 1303.12 1913.06 4551.58 4848.56 9542.32 4532.33 10256.39 12729.3 7747.72 4344.59 5594 1263.12 1799.53 1880.61 2560.06 1410.72 3243.95 865.91 2928.47 2379.86 835.47 2607.3 1270.94 3382.94 1234.22 3306.61 1150.07 1354.58 1323.39 667.77 3473.64 1830.35 2324.4 1900.49 1273.26 964.32 2224.54 3170.62 2157.62 1835.34 2266.21 663.75 2131.65 2346.98 3135.22 1640.14 1020.87 4146.41 9339.59 4790.38 3152.72 1985.44 3134.88 3737.07 4691.33 7720.27 9104.83 655.69 5872.95 3334.55 2597.34 2296.34 5084.84 910.41 4413.31 4132.57 2378.79 1784.61 1964.9 1877.91 1759.88 1896.58 1916.1 1695.99 1806.14 1777.8 Androst-4-ene-3,17-dione, 16beta-fluoro- 43090.17 18470.24 3654.39 12451.65 41559.34 50219.2 23300.26 49739.5 24103.59 34856.17 23527.05 57057.04 12596.75 38482.59 41513.16 40387.06 1807.06 153571.64 73332.91 57918.57 40214.58 75144.13 28728.95 24005.11 36580.06 22147.2 8472.7 7474.72 46606.29 13596.72 13970.84 88081.81 58126.77 18373.05 8619.82 47197.64 91200.86 11505.49 8426.88 4604.34 20504.47 42848.31 25630.86 28242.56 78483.36 20753.07 32021.07 21522.49 54385.21 78610.58 50327.19 31449.87 36766.3 7800.61 22824.29 34334.93 644.04 8503.86 60414.99 2817.34 13729.53 6885.56 43520.83 34651.45 43848.39 24258.06 18676.42 13967.66 11991.2 75303.98 11207.94 30816.8 49792.54 3881.01 3545.17 42256.84 41518.09 44682 43428.37 44465.16 41422.77 41400.09 45130.43 44481.09 Cardiopetalidine 1440.5 439.89 3093 17966.94 60436.88 123096.87 68469.96 1167.87 537.67 703.57 689.19 1363.27 34852.55 936.96 1339.75 3655 1859.42 2283.02 1977.54 658.65 681.36 4497.19 1226.32 942.01 1298.75 1158.47 3895.5 1135.32 1465.87 889.65 1630.6 6308.87 1307.24 5079.02 939.98 718.8 2285.41 920.58 884.88 1664.05 33916.78 10957.56 930.78 661.6 1686.36 22575.35 106.62 1031.29 814.01 1609.31 9283.96 1262.11 1315.71 4152 9653.29 876.92 142.52 823.89 3256.2 2186.33 1953.19 229.1 1395.83 2491.96 1124.55 4377.77 893.77 732.49 795.84 986.96 1141.16 1485.27 798.67 1764.41 6788.6 14057.06 9893.57 11447.11 10661.06 11361.86 11456.18 11426.96 11995.11 11369.45 1-(5-Aminopentyl)guanidine 2832.48 2149.54 3301.31 6262.03 1882.93 3690.15 4520.85 2882.21 2226.25 4138.24 6623.27 7051.45 6625.07 4643.44 2190.09 6263.59 3385.02 2062.79 9768.98 2352.14 3190.82 925.06 7452.54 5216.57 3191.36 2291.22 6897.42 7449.88 3037.89 3684.16 3345.65 9233.04 1526.92 6028.5 4717.23 3110.48 2798.87 1989.22 4552.05 4737.12 2707.5 4604.34 6013.73 3882.42 3986.47 3670.23 1723.07 4755.34 4438.67 9328.14 5777.77 2404.8 2894.06 4513.76 1355.42 1903.44 1232.08 1564.12 1767.08 1061.24 2415.41 2861.01 1700.16 1741.8 3451.48 2644.66 2954.13 4056.57 6372.97 1519.13 1364.49 5001.82 5254.59 2378.97 7656.94 4859.73 5349.82 4834.97 4781.96 4710.91 4630.5 4864.25 4751.83 4819.02 Robustine 1906.97 773.77 1751.57 3156.71 2250.04 1699.95 1133.38 1316.45 502.02 1789.83 3769.52 5368.5 3245.22 1164.29 1734.76 2625.1 1144.33 1025.27 925.19 1959.41 2414.13 1594.86 1862.69 1018.49 1637.88 1370.91 2515.16 2502.85 4142.17 8406.1 3011.72 3563.25 2156.22 1974.59 6863.28 1830.41 742.16 3174.02 465.04 9060.08 567.69 2692.69 4050.63 431.89 2904.17 2404.28 4628.45 1330.61 2515.53 2952.69 3091.57 2651.01 5611.88 4807.93 5524.38 2897.51 956.93 5682.14 3762.86 8792.74 397.97 382.06 1682.41 6306.98 1695.92 9852.28 1596.01 690.33 507.07 2082.4 1069.25 791.52 2461.69 4477.81 2438.29 1349.51 3121.24 3494.01 3635.89 3305.92 3525.64 3648.88 3714.59 3603.21 Methylmercury chloride 4972.47 10897.47 15145.96 9041.44 546.76 5651.39 1046.63 1363.9 1337.75 3118.3 7286.82 1038.05 1597.09 4280.92 3546.5 4381.27 3989.93 5609.32 1457.14 736.1 964.84 2216.36 3807.18 7457.59 1266.35 1123.79 5402.59 2449.7 471.84 1097.72 3686.11 1322.12 1041 4623.75 5820.45 1498.37 4356.08 479.57 3862.11 6129.42 1458.89 1296.68 3690.88 5601.09 473.42 1848.57 1561.15 3366.92 2701.44 619.42 1280.9 2479.94 2578.28 1847.09 2550.47 2412.96 12924.59 7529.81 1388 1554.9 4974.2 5784.21 4527.44 5873.39 5722.31 1200.05 1423.7 2277.98 3899.05 5136.1 5630.31 1811.85 9159.68 7486.82 4827.06 2748.03 2916.35 3059.73 2853.66 2589.79 2778.8 2922.31 2745.91 2755.36 Mebhydrolin 1171.15 12692.18 13282.2 11542.07 2972.38 12902.14 8088.52 7563.97 8381.25 10275.15 14055.23 1468.82 2537.19 13483.62 8634.54 22441.19 12126.32 23709.23 25867.46 12875.17 8328.49 8255.65 13281.42 12109.74 791.03 4664.84 6567.97 10989.49 22821.35 14163.4 30079.93 46962.56 8922.64 11146.32 8096.04 957.54 565.34 7222.21 8452.76 3510.98 1176.61 1309.68 10724.47 10220.48 26675.57 18596.78 18695.55 21590.84 19088.23 32610.27 847.96 13731.52 5617.13 16119.59 1343.13 12185.41 4567.65 4453.88 10569.39 4201.66 3749.12 6970.42 4888.27 6388.17 14789.48 12648.55 12290.79 7604.7 9494.09 8405.47 5662.8 8140.83 7894.2 16392.65 11486.37 10489.96 11404.07 10466.4 10693.7 10468.26 10746.4 10491.75 10467.93 10879.91 1-O-Acetylbritannilactone 26073.14 47763.93 14982.93 16870.2 19043.88 14507.75 33010.34 7781.13 1279.5 1253.25 1108.97 30440.1 39767.91 23888.67 26338.9 9497.64 10821.49 13962.73 13177.73 9268.78 7040.28 2836.54 5891.16 7591.04 14874.69 1832.51 1063.4 6557.3 1463.06 4617.76 10199.65 10003.93 410.88 999.85 5303.76 3652.15 5917.15 386.39 894.55 664.98 1765.1 12939.76 774.15 3799.56 7167.21 13879.06 9149.89 7165.4 449.46 11967.23 4423.46 8573.46 742.76 3422.43 13470.48 38797.96 9599.05 1495.6 5976.45 827.33 5712.96 6667.79 7175.75 4385.85 1069.01 21149.31 7339.07 9422.27 12879.31 12334.78 1265.54 6471.5 814.5 3780.66 15169.9 10784.93 10760.79 10500.47 10329.65 10107.15 11020.69 10841.77 10778.62 10290.69 Girgensonine 45254.97 40675.33 18747.96 36701.52 37716.09 28854.57 46712.77 46900.99 18902.02 30476 32489.59 42976.05 93602.17 69456.26 26779.07 29876.77 24551.39 45350.31 61105.69 1183.36 11663 4806.99 33535.44 21912.93 35132.16 34995.45 25482.63 12489.65 65936.9 7747.34 20568.38 180491.34 22050.88 29778.06 18612.33 68701.02 11729.12 9630.83 24772.54 13240.94 19647.76 83424.92 30014.35 19024.94 38050.94 96709.65 39542.26 41686.96 56145.02 110502.62 81155.34 54521.78 56692.3 89240.97 27305.17 39964.44 12090.1 13991.64 23672.17 2094.44 6378.81 20189.14 34253.54 13201.6 19550.07 48482.75 4848.07 34147.6 25642.72 21578.41 20336.54 29034.63 12303.08 37701.96 42696.13 40846.8 40949.37 40928.01 43865.13 41805.16 40932.8 40928.74 41506.63 41554.68 Polyoxin B 2660.46 1565 1914.14 2387.79 5894.16 2900.74 7429.21 1853.62 1572.06 2190.28 1094.85 2366.25 2247.01 760.3 667.57 1321.95 9235.18 703.44 899.52 267.11 1334.63 912.82 537.7 830.02 539.69 717.08 305.6 514.08 187.71 653.38 592.02 2211.01 524.32 413.83 939.39 759.81 2098.42 771.77 629.42 228.13 487.11 1140.32 164.23 625.17 648.21 2491.24 605.25 1174.21 186.55 416.17 2365.91 315.65 1187.66 3285.7 9737.47 495.74 7572.24 2220.64 551.03 1214.53 279.38 239.67 1685.1 3993.54 1902.92 3124.56 1006.47 1711.09 869.88 2695.8 676.35 988.03 1823.89 12256.96 3133.47 4134.99 4246.78 4098.31 3949.36 4123.43 3880.88 4155.84 3963.85 3948.09 Glaziovina 450.58 974.57 3794.42 4596.67 2848.75 489.1 6089.06 3041.68 865.74 1697.65 5617.43 4655.91 5776.12 456.56 1028.6 2514.18 4895.83 4811.54 2165.12 8498.78 450.02 578.13 3447.44 1320.1 3898.63 2463 4322.84 5703.63 2866.14 688.87 479.06 1010.51 1231.27 12239.01 11899.69 4548.3 3821.67 3728.48 4756.65 13480.89 528 2045.39 7236.18 2547.9 448.68 17511.53 3075.67 2846.51 3936.34 3619.96 8636.92 3389.15 19489.84 37563.14 12032.55 2261.42 482.07 11876.74 1887.19 4705.94 4518.06 2773.02 2491.89 30366.09 10919.16 6238.65 614.77 528.04 2327.12 4285.65 2350.25 2180.28 14289.22 34129.79 3633.43 5495.2 5399 5453.4 5400.06 5543.43 5490.97 5492.41 5493.5 5249.21 Feudomycin A 10507.99 4715.69 93511.52 37426.14 7161.93 3140.91 1145.58 3838.98 1388.42 3651.19 2466.86 1640.84 21871.11 23200.37 6447 2992.7 2244.53 2830.22 3050.04 2108.54 6851.71 7850.81 27094.04 17709.91 8362.96 3216.48 604.88 9589.78 2713.1 349.02 1808.44 1795.78 1880.57 37192.93 19675.1 9653.05 5129.24 1710.6 15917.9 11821.12 3254.79 7345.06 15283.73 8598.79 2441.77 28233.26 922.89 1528.57 575.84 6523.21 23222.62 8348.92 22342.66 44192.43 9288.72 16117.96 9505.09 22742.88 1692.23 2411.93 14694.38 7831.88 10617.8 24340.35 7512.05 12270.77 64044.06 1565.84 559.91 6020.3 1098.24 774.59 3508.25 39059.52 26419.77 9773.84 9967.11 9685.27 9821.8 10010.96 9037.31 7786.83 9504.84 7385.77 Mytatrienediol 1851.14 3116.61 1862 2059.93 12716.19 836.94 3249.02 15710.51 15220.76 9729.88 3797.31 12518.12 2203.37 763.15 12723.59 5265.96 1923.06 16555.75 11865.79 14727.42 3344.24 3109.35 3120.32 4353.87 22293.08 20897.57 7322.82 4036.73 10550.68 369.35 824.52 5305.59 12609.79 2961.21 7020.47 10647.06 8298.89 2384.57 1870.94 12670.25 1978.59 1303.39 11832.16 529.07 4109.02 3786.8 6266.78 3629.62 3491.25 5105.99 3768.96 2899.23 14912.06 15707.41 10630.96 4069.5 2254.08 6491.09 11245.77 3815.46 1105.65 889.02 12039.91 16490.37 20261.54 10433.42 2443.15 539.57 515.1 11871.99 21053.52 1860.6 5779.77 16321.68 1324.78 8375.65 8172.34 8177.2 8522.3 8592.64 8089.25 8859.95 8183.83 8895.65 17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol 100169.05 94092.79 138235.86 124204.17 98512.01 109528.4 112457.88 96661.43 98173.69 136181.76 128472.97 97362.16 65677.73 107827.16 82047.15 122198.72 103317.45 92325.4 94612.74 80465.15 96680.54 101142.85 131557.05 106236.33 93574.03 105171.9 107738.92 98333.14 83429.9 138388.59 26751.89 91698.09 131048.78 106376.23 124596.58 96706.14 135924.17 122786.67 132389.18 150378.25 92718.95 90679.27 102686.23 144174.76 95630.94 94321.25 87470.25 106608.18 110347.48 91470.48 109174.17 110342.25 108896.7 103347.71 95379.34 90877.25 154762.68 117457.88 103648.23 119673.5 140259.3 121915.06 119361.23 117894.34 110933.81 90389.03 65355.29 92654.35 103556.26 105890.26 120811.41 132364.43 112118.45 120891.1 120209.76 115751.19 117424.72 118226.83 118034.14 117748.06 118011.95 116456.06 116675.08 119285.82 Rugulosin 2047.3 3677.57 3977.67 3618.74 635.27 997.35 365.37 2469.9 891.86 5396.41 7442.35 2059.97 2033.33 2316.15 1741 1688.53 2148.32 613.31 1434.31 2353.5 1643.96 1235.34 1816.29 2532.93 1390.77 1299.82 1798.76 1950.25 665.46 923.77 2684.86 767.25 1781.55 631.32 1210.82 617.47 1898.16 736 613.25 742.6 578.18 462.99 933.53 1241.59 927.46 1564.84 843.74 656.89 1659.53 761.06 1423.49 748.01 1474.39 861.27 1688.62 753.81 17618.49 1571.42 4629.87 1724.64 1652.02 1568.23 6080.57 9232.7 6546.11 1191.04 3371.39 3144.46 2776.85 2492.05 2878.24 1520.28 2068.48 2054.66 2453.81 5545.1 7758.61 2629.25 4840.31 4858.58 2876.48 3218.39 2820.66 4323.98 5286.86 3530.27 3568.92 2290.73 2442.48 3278.73 3426.24 2755.82 4594.18 5043.49 4883.19 3582.66 4127.76 4048.23 1258.61 1316.67 2468.36 2593.84 2580.02 2535.27 2513.35 2594.65 2574.96 2420.15 2580.53 Aspergillomarasmine A 16230.2 10142.17 2589.83 4901.17 24909.16 2604.9 7662.9 23918.98 33884.92 10053.18 10871.42 29923.16 26277.17 22575 13735.6 9355.71 4467.9 66038.5 38762.81 117683.16 25200.93 5673.48 6277.22 8068.14 21684.96 20235.95 6834.91 8070.54 40091.5 15666.14 80654.89 37376.46 13911.56 6936.4 2686.05 29702.66 8217.98 18799.32 5718.87 5614.79 84891.26 20599.17 4695.14 2795.12 56883.62 39886.51 41823.51 13245.18 13147.52 25685.42 6836.52 11458.74 1138.98 5061.27 5234.59 9111.84 988.89 5381.35 18724.38 1402.74 2506.01 2969.42 5746.69 2145.81 10841.15 11705.9 18682.45 4908.5 7009.79 15338.66 39148.81 11822.07 8941.86 9084.47 4801.03 20943.37 24865.29 20459.59 19837.44 21319.41 21283.2 20142.02 20746.56 19802.08 Acetic acid trans-2-hepten-1-YL ester 1346.39 1215.6 1291.64 869.89 1050.88 535.92 1024.62 682.52 953.87 1373.04 2305.04 1643.01 1324.04 1896.03 1261.52 1880.67 1422.46 889.5 2411.33 445.58 879.98 1553.88 5389.89 1391.05 786.82 2443.82 1142.83 2470.63 1983.63 741.65 393.01 5772.48 1555.35 2223.45 1776.3 1299.49 978.35 1605.15 3901.39 1906.41 827.7 2605.19 1941.12 1295.45 1013.33 1688.68 2859.99 6397.21 1773.9 2317.21 1990.11 1656.81 3612.95 2022.41 1032.17 984.03 566.21 672.15 2921.77 601.33 3242.85 1527.95 995.4 1518.1 2868.53 1551.57 765.03 1728.56 1503.64 1315.38 1835.28 2157.58 1926.69 1758.86 1603.42 2181.82 1705.51 2431.89 2186.68 2412.25 2840.06 2321.23 2264.87 2256.53 Citbrasine 2203242.88 823527.3 63004.05 80847.06 1787005.66 264142.92 189531.34 1196656.52 2974955.81 1182983.79 247076.46 1122024.62 393944.09 407698.19 1492453.77 1098556.13 500715.1 1830347.54 1187623.22 3163768.94 2093791.88 1238272.99 144126.21 276644.72 2439208.25 1536269.6 329481.4 1269419.95 2717112.79 1661837.86 3418898.95 1372390.37 1333379.9 122453.11 118979.52 1732883.62 1813135.3 382759.04 365500.85 592685.53 2818914.71 3172831.49 124647.16 170327.01 1707927.49 452635.06 2411210.24 851406.91 1167733.68 2007084.38 1317430.35 448636.87 236198.89 235821.59 612871.75 695603.3 98952.93 166332.12 1652615.92 369177.79 238122.14 150376.93 496370.52 308911.97 778132.4 1261520.27 1454944.55 876618.98 1071197.97 1504005.58 2329735.6 919718.84 920798.94 238865.72 540682.94 1331532.46 1308113.37 1327691.64 1360040.83 1317990.73 1313192.95 1212773.86 1331470.95 1315444.18 Oxopurpureine 21045.5 14869.86 46185.69 56013.34 66228.65 70941.65 78419.83 13933.21 6848.87 47385.54 90317.28 108000.23 113438.85 68731.29 26440.35 80706.06 49290.25 86037.53 106893.53 130940.46 43407.14 19367.43 60536.43 85364.67 25551.77 18806.56 40977.57 56842.79 67139.22 37951.06 85716.63 109532.04 10978.2 48412.67 40816.13 20773.41 42529.12 3815.23 31742.38 41768.89 87556.26 55960.36 39859.2 51769.58 71854.74 59152.41 21420.61 57822.59 57507.35 116335.82 12175.53 12971.87 46198.33 63352.14 11285.16 14275.96 45433.72 29690.83 12941.28 5517.11 25173.33 21319.49 15065.69 32343.48 49674.34 19645.87 28037.63 45159.61 62092.59 19202.14 12087.79 40984.01 53271.02 50073.7 52806.1 44675.57 45001.24 43755.27 38276.89 43663.22 42042.78 41175.5 42230.08 18379.39 Squamocin L 58333.4 55680.61 20540.71 13184.37 23729.12 51635.05 51804.93 61340.17 10030.52 42325.8 19983.44 56434.83 71493.12 63295.42 22808.41 10204.09 15455.8 65187.44 71473.68 23935.26 22807.4 16663.88 39239.49 20538.98 30884.77 27738.32 35385.36 30387.27 70716.25 40501.58 9340.2 123053.73 8584.86 9552.39 12411.72 43808.33 2353.58 2133.34 19232.84 4499.87 72181.28 76052.4 3806.02 17678.22 103512.55 57531.25 28245.48 4346.39 56988.24 90302.13 60271.18 54347.35 42182.68 20119.77 38621.23 37585.25 5387.31 8069.89 8690.58 4726.22 3928.96 6403.27 37777.65 5533.85 5918.97 48440.12 49690.72 16398.6 10899.98 12087.58 3916.61 18163.47 6975.44 24009.19 14092.21 38988.9 37287.19 45398.87 36643.18 39121.86 39060.35 37199.37 38796.82 38913.51 Austrobailignan 1 14880.52 8110.46 11457.84 18811.28 17539.12 26677.23 20131.89 21182.61 10631.22 16033.24 33923.35 37126.45 42431.1 31094.62 9329.47 31921.77 22908.31 46141.06 42354.31 53056.12 15404.43 5513.75 21655.93 29311.97 24843.19 14241.69 19791.55 27310.24 10739.95 14956.56 41973.75 48035.74 9125.08 27194.18 15853.3 19036.61 10778.6 4326.26 8338.96 14992.09 28702.44 17653.12 14353.73 20994.77 40056.8 21652.47 20097.63 15275.54 19709.31 27175.57 10697.89 10155.03 15360.56 21913.73 2318.72 6108 2531.48 10252.33 1453.66 2179.71 8810.11 9001.47 6963 2313.17 24514.58 6598.52 15489.8 21103.05 21196.78 8600.91 7856 14983.77 13708.25 13527.42 24395.61 50009.91 42695.26 39270.19 42083.39 46328.68 38547.86 41012.91 49170.08 43427.57 33231.99 30955.22 41533.84 45949.86 45301.0 32610.74 47726.7 35205.28 45074.96 49835.58 49840.85 47199.65 46305.24 44540.5 48500.5 49245.66 21792.07 22388.26 21216.15 21129.63 21889.58 21189.1 20812.08 17947.68 21423.18 Oleandolide 2895.95 2703.27 1237.79 535.63 3090.22 2729.2 1656.27 3534.61 1880.45 1960.93 2894.72 5664.31 5558.15 4441.09 1909.87 4128.59 1989.85 5888.89 11458.95 6174.69 2096.17 1840.18 2306.51 1669.78 1867.41 2424.88 2129.52 1740.19 3628.55 848 3831.9 18714.63 1609.46 1135.22 709.63 1421.21 897.73 1024.55 756.31 393.61 3159.72 3175.53 1232.04 722.53 2670.08 5447.93 2350.16 2746.77 1878.02 8258.91 1994.95 1360.99 904.65 1985.32 1421.71 2470.83 1077.08 582.03 1303.85 1602.8 758.95 781.02 2409.31 851.07 1555.41 2926.32 4398.41 1515.87 1426.62 1575.52 1814.4 1594.93 964.45 2444.93 1438.53 3172.11 3560.6 3355.7 3227.68 3335.2 3356.49 3058.43 3283.74 3261.9 cis-2-Hydroxypenta-2,4-dienoic acid 468.53 1015.62 3396.34 1672.21 4917.47 458.19 1641.82 2974.71 2114.29 2707.44 4653.8 1535.52 1030.81 636.42 1021.39 2257.78 6014.47 3505.89 1407.12 579.85 1265.4 934.97 816.22 1152.04 3014.02 4816.97 3356.8 3265.03 1388.06 684.64 2034.88 1139.72 685.28 5551.43 6126.23 1933.43 4381.1 5109.4 811.1 7965.2 433.25 668.53 3652.04 462.95 698.72 8016.69 2364.33 988.63 1536.79 1351.24 2908.17 490.09 9163.76 10917.66 9202.01 2565.45 6027.63 11166.49 3029.37 4413.65 800.83 509.68 1661.71 16341.89 7569.24 3767.89 1393.09 1173.5 1162.04 2123.06 1898.17 654.14 8025.66 17684.19 2429.05 3364.81 3991.26 3856.15 3861.39 3869.13 4243.09 3993.98 3860.56 3986.47 Hydroxyzine 7335.89 13019.73 17134.01 19485.5 40785.91 9939.05 11711.14 44755.94 42928.67 19723.15 10786.75 13708.61 7070.48 2017.64 46777.41 32932.61 18563.74 46520.6 41033.6 41189.66 1726.96 7342.65 4540.46 10964.92 39130.92 39512.66 9448.8 5611.63 24334.76 1183.21 20876.51 7319.68 27063.91 4727.81 5155.4 14585.07 5706.15 9631.22 1906.36 10256.64 15726.27 801.86 19327.48 1965.68 22452.36 14731.07 17322.45 17497.01 17351.26 19832.97 4321.81 6317.58 6686.22 12609.85 20156.45 11886.87 13058.22 12858.59 24613.42 8763.49 8030.51 3812.12 24125.68 12717.09 24945.05 14636.37 2468.28 3863.68 7234.76 20125.86 24864.79 9601.8 9012.17 26014.9 9342.19 19554.39 20483.21 19709.21 20137.2 17550.12 18744.69 19732.65 19257.3 19271.16 Protoaescigenin 24392.73 25215.69 38191.91 30285.44 22940.49 49960.42 42919.68 26799.01 40937.78 51445.77 15500.75 30702.88 4773.01 39475.43 25078.84 24625.58 68026.29 38795.89 10262.45 12666.47 50496.16 17500.16 30897.4 21544.03 14192.65 41516.83 42541.12 33019.15 25635.34 146129.99 18663.68 16680.33 30965.67 45350.07 36089.52 29016.49 43546.29 23130.86 59407.88 83130.92 72143.58 6484.75 28652.21 24590.41 13785.06 26600.8 33847.31 33944.04 25787.72 11788.73 39138.74 42008 34667.51 12290.18 21782.31 42885.19 36749.14 45642.15 48909.96 53399.98 35794.23 32358.23 36426.55 46572.71 54092.31 40963.75 30977.99 30470.64 36338.96 35262.03 56784.64 47750.44 42954.91 54502.95 45525.26 52230.05 52601.15 50441.71 50458.85 50369.11 51628.99 51982.66 52765.92 52618.83 Octyl formate 2770.28 1557.99 861.45 1534.94 2604.47 1291.04 1051.05 5126.46 2928.34 1737.08 4492.47 5956.76 3733.8 5159.27 2652.18 2670.65 1360.56 2859.12 3744.73 831.54 2582.22 666.74 2519.09 2363.53 2197.53 4695.6 4091.92 2554.7 8552.01 1640.56 6491.86 13553.47 2162.07 2800.65 2199.25 2477 2597.85 2495.91 2852.78 3385.78 1508.36 6769.71 2464.16 2930.72 7047.2 3077.99 6369.15 2817.1 4119.29 10150.06 2523.84 6299.23 2537.84 2564.49 2240.47 3162.86 927.3 809.68 1637.92 888.65 1075.89 1640.91 1540.2 1807.19 1842.18 3665.08 1342.5 2182.23 2500.51 4039.49 4361.55 3063.69 1319.54 2379.69 1345.37 4075.58 3333.36 3674.78 3722.02 3086.31 3781.85 3686.43 4202.69 2654.64 15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,17,21,26(4H,18H)-pentone, 10,11,12,13,14,15-hexahydro-11,13,22,24,27-pentahydroxy-6,10,12,14,20,23,28-heptamethyl-, (10S,11S,12R,13S,14S)- 542.4 613.61 1464.06 16282.8 3729.07 2757.46 15439.05 1303.27 1292 342.57 1896.8 1368.08 12538.09 932.24 496.8 14975.28 7851.82 974.1 3812.65 851.8 407.28 2257.41 2389.9 1300.24 476.95 1800.21 11798.29 3921.17 2557.72 950.74 1503.6 2028.06 814.99 613.27 6570.07 2007.25 4354.45 1128.69 1333.11 547.3 362.95 1858.22 464.72 1058.57 368.9 16495.93 1248.98 1063.73 2672.67 4541.54 369.23 568.83 1323.8 26802.12 1656.36 2326.17 5853.67 417.48 752.06 780.75 2578.12 5743.42 2837.5 3660.76 812.86 583.54 1541.14 1331.89 1021.78 472.5 1641.28 1432.98 351.4 10825.54 16312.95 10607.49 3928.49 17853.58 22558.73 24527.71 22846.91 40087.37 10253.94 33750.66 38140.12 28268.29 3643.74 7922.18 7069.98 22936.42 43268.71 20905.76 6920.97 2379.23 12061.56 33953.03 4325.34 18110.79 17099.12 8744.93 2696.71 3096.79 2701.52 2438.53 2488.02 2572.45 2751.62 1586.71 2839.6 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 51908.01 58664.95 51060.41 54061.78 44055.92 40278.49 51800.24 48535.94 46868.65 55452.36 48205.5 46212.76 43456.28 50800.73 47594.75 46174.85 50624.11 47823.96 45795.4 53986.92 45659.89 44142.17 45863.74 51901.39 50334.1 51536.59 49846 56131.65 50609.35 47564.62 43508.65 42922.57 47538.54 44663.3 43676.8 53935.25 45018.65 40840.92 46864.69 50101.62 39501.89 41920.24 45940.67 46542 44416.5 41987.76 45121.37 52392.31 47629.97 41809.84 43331.62 51454.35 45446.04 50425.65 45110.35 46544.52 51183.6 45150.05 50226.47 41094.41 45184.7 44585.1 48184.69 51222.49 47433.24 42962.65 44569.01 55343.74 56438.61 56231.34 48366.85 46771.17 45617.09 50931.33 42907.58 28389.13 29189.7 25976.74 27462.36 28418.0 31858.61 33312.25 34195.86 31437.85 30283.01 28305.89 29606.84 29418.73 30278.05 28147.13 25557.84 32116.1 31216.75 29301.06 30221.24 27717.42 34471.17 29538.52 33376.67 28847.42 48946.72 49508.93 50065.08 52272.88 49995.29 49984.06 48343.05 49329.45 49618.39 Fosfocreatinine 2780.42 3988.07 3739.58 4072.57 722.08 2301.79 2807.36 4615.38 5004.52 4032.99 5510.74 2559.07 2247.39 3514.15 5224.6 3167.22 3003.04 4107.52 1731.8 9841.79 8042.86 2090.5 2512.06 4306.34 5193.46 9483.38 2845.63 8082.29 3275.97 2109.73 5423.63 5577.19 4554.24 1670.8 1699.25 4840.23 2905.94 5242.32 3917.05 1636.84 6300.87 4364.96 4275.78 4606.52 10508.52 1956.3 8527.79 2815.71 3016.92 8075 3646.86 4214.53 4140.58 5290.01 5853.59 8198.89 12217.53 742.95 7897.17 1563.41 3657.19 4027.96 2418.8 2918 3300.19 2657.48 3722.62 2076.73 3306.32 4168.02 5268.38 5428.19 1082.21 2022.27 2757.7 4094.43 4399.49 3950.32 3130.96 2348.41 4820.48 4336.54 4383.18 4334.8 Naphthalene-2,6-disulfonic acid 44754.62 8633.54 7440.75 34514.1 13436.19 10424 10462.16 14778.1 7293.48 5005.11 15460.59 14436.71 34780.22 18136.09 6582.04 7006.6 4715.82 3134.42 9556.13 4002.98 17082.05 27740.8 8612.38 7014.39 9448.45 1545.22 561.04 3212.47 3802.91 50813.98 4130.15 1238.87 656.57 4852.38 4203.18 7116.25 6003.97 4197.01 4918.05 6098.65 7332.21 7475.67 3284.38 10581.39 5962.36 3245.06 3243.32 1905.88 9684.78 7220.44 5092 7407.89 3224.01 2463.05 5987.84 8004.12 9558.69 4150.52 3983.53 4580.98 3980.89 8075.15 5086.32 2159.75 1789.34 4421.73 4244.21 3602.73 5482.13 9025.28 3012.33 4074.06 5230.42 4055.55 4728.36 5797.65 5819.48 5725.27 5723.44 5919.72 5823.1 5496.27 5719.55 5818.67 3beta-Fluoro-5alpha-androstan-17beta-ol 4760.61 100676.3 2715.46 2370.16 1463.86 33951 23803.33 10193.86 38532.61 51948.64 3822.91 8045.88 2536.22 4504.32 59877.58 100690.42 29040.72 29221.45 86066.92 21046.41 4293.61 11846.33 126104.72 14381.17 2276.91 86221.1 90291.35 2888.25 102354.08 4226.42 4074.67 4256.35 19110.7 20774.78 11517.86 7419.01 2494.02 36880.36 2867.96 4641.89 18257.34 3583.91 25368.26 1299.72 86597.43 1599.86 9920.08 74036.22 10628 21822.01 2712.16 31417.11 6028.23 8881.44 3973.73 29761.6 2805.44 2272.39 2450.49 16451.33 6699.41 983.91 12544.86 10976.23 7050.63 2851.12 9317.12 4072.8 636.42 5795.08 15312.66 80807.72 12422.12 5840.14 10958.25 12492.52 12505.44 12612.05 12154.32 11679.38 11577.72 12405.92 5815.52 12066.59 aclacinomycin S 828.84 385.42 10892.44 289.58 49050.97 845416.44 25488.6 23263.49 2464.47 1463.71 24705.91 641.85 3311.76 268.7 2215.38 35095.16 51444.15 17159.22 1137.03 578.16 23611.02 78048.22 535.35 487.86 417.02 9066.93 14642.27 21025.21 592.31 466.58 611.87 457.62 20255.51 1366.47 18119.3 537.75 12059.74 22595.3 577.12 24338.21 717.65 5688.16 15153.61 15977.11 398.8 16222.53 402.33 23100.69 11472.49 27409.41 1470.46 18071.72 20799.47 381.89 1472.91 20499.83 54834.65 20485.94 475.15 45095.87 10821.24 291.78 371.47 586.26 21812.97 2829.13 961.13 687.39 385.66 652.01 920.5 2046.39 22511.84 33390.24 858.93 21379.74 21393.43 21592.82 21812.03 21465.31 21399.1 19368.47 21400.12 21809.56 Mucronine D 4456.09 9532.31 41731.03 22721.6 934.85 11640.05 18217.28 10388.32 9859.82 14844.52 22518.87 11803.2 19911.24 12692.26 9971.63 31794.18 19340.99 3723.31 37282.33 757.81 10781.3 4904.44 38596.18 28666.64 5011.06 9264.68 32410.68 17095.03 6340.04 2928.39 6854.61 16750.76 6929.28 20753.79 13748.48 6351.98 5191.64 12378.02 19074.73 10320.69 9499.4 8124.36 28704.65 9474.54 9689.63 16492.85 4799.6 12505.76 8998.79 9760.32 6198.17 9151.26 24908.88 30168.94 7776.92 8333.83 21805.99 6504.22 4125.59 9205.5 11203.09 16822.51 10014.17 26518.4 7136.44 7206.59 954.01 28303.71 10652.76 3874.13 2623.08 14039.58 13530.27 17099.71 30756.99 13610.02 13214.09 13872.43 13874.68 13614.3 13889.06 14237.37 13539.6 13876.03 Cefroxadine 20090.3 20458.94 11874.73 16460.9 10605.37 20738.06 26708.93 29606.28 8480.51 18456.79 28372.03 11011.16 11356.78 15045.4 13319.24 10472.43 7006.83 10367.95 10007.26 10878.62 28364.65 8882.79 14627.82 18024.55 15119.75 23336.55 13593.64 12763.6 12256.05 12166.47 9890.97 12205.83 17538.84 15233.48 14637.65 9665.37 11873.68 9908.28 10338.91 11257.8 14563.7 13543.8 9709.22 16667.6 14455.7 9166.49 13230.56 22635.39 16136.05 11827.7 12949.36 12183.44 7941.39 6329.32 9451.47 20711.7 13409.93 8306.42 16994.05 8470.83 11392.58 10703.93 18627.17 8246.65 13175.2 13906.86 12586.51 13834.51 15388.15 10083.06 13843.75 11932.93 11779.56 11734.42 21899.95 14673.49 14701.78 14722.76 14723.31 13782.27 14752.71 14251.15 16840.49 8487.74 Epitulipinolide diepoxide 1126.03 5695.76 2402.88 2275.65 5707.02 2818.64 3879.47 1342.34 786.37 1783.18 2870.32 27152.58 208515.47 3554.54 898.11 1471.35 1357.48 1253.47 26170.29 552.97 1602.42 702.28 20622.3 2600.67 6335.79 1323.93 7805.12 14770.75 8127.66 502.15 1006.8 2268.3 595.57 855.09 509.12 4257.02 1390.71 6027.79 1689.5 8283.56 1077.1 2544.79 915.51 5678.16 1496.93 4503.88 487.9 503.04 5764.49 10528.69 2421.15 636.02 3290.02 1475.78 1233.45 656.44 7383.26 680.25 711.7 6631.22 460.82 415.92 439.93 956.71 914.05 1710.33 921.57 2437.99 1040.25 877.97 557.65 1011.61 518.72 795.09 2302.27 2179.62 2169.71 2177.3 1996.26 1541.28 2172.39 2022.38 2217.2 2525.35 5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate 5159.06 7600.9 3042.29 4952.21 3252.34 12837.79 7760.7 3166.65 6124.11 1106.82 3468.03 5981.52 4353.11 2660.83 8242.37 3390.81 1745.8 17790.24 4857.48 26129.84 2512.54 3702.91 1824.28 1445.27 1492.88 1473.6 845.58 464.03 4051.29 1814.12 8507.3 1558.26 706.33 906.39 598.23 2714.1 1005.78 1831.23 665.83 356.41 4537.01 4437.53 693.4 694.52 8223.73 4396.48 6954.29 3669.67 527.9 3501.09 1403.62 2286.76 878.53 1371.12 1720.73 3399.33 2022.32 633.77 1080.06 1906.16 707.82 377.33 3128.86 998.44 1966.36 3542.29 5272.35 980.65 2267.8 1606.6 1930.21 1023.92 1319.28 1944.17 4537.94 1332.49 1373.69 2551.42 1281.65 524.33 2383.76 2879.91 524.57 2516.26 1003.8 1851.0 1082.14 1125.59 653.96 1597.68 1035.85 2259.25 1203.12 1726.99 2744.29 2291.18 1850.17 2530.0 3448.64 4743.99 4633.39 4307.54 4633.36 4401.4 4487.16 4646.13 4638.26 4605.98 Portulacaxanthin I 16507.18 49150.76 8704.23 11261.74 13028.7 10589.75 21045.58 9549.53 10325.97 10709.95 2501.28 14418.88 19065.43 27938.28 22878.22 2785.24 13007.03 103084.77 42066.82 17215.63 8788.1 843.19 4245.57 7270.1 9650.59 12521.34 6565.49 4501.44 39503.76 12013.92 108240.72 157539.57 1621.99 1797.06 2300.39 47261.11 6084.2 11507.13 524.39 622.83 81362.21 100185.9 6531.95 3634.76 89071.28 10750.4 7940.49 10902.24 19934.89 98324.01 17210.01 63094.31 5428.69 17788.3 12471.74 50622.2 2554.68 423.35 7334.99 4801.56 1100.8 7686.08 9805.26 4192.7 12299.95 39649.26 89312.87 1067.95 13459.59 7883.19 4158.03 827.14 3198.45 6203.6 5063.04 12666.66 12680.13 12785.32 13876.24 13500.83 11761.92 16048.63 14502.17 7496.48 9-Fluoro-16-methylpregn-4-ene-3,11,20-trione, (16alpha)- 867 7599.6 5240.29 6442.94 42225.7 4688.22 2604.89 3024.84 8020.82 21790.93 9683.83 8294.91 5901.54 2345.91 12470.37 7429.32 32586.92 49668.75 13491.75 13913.11 2600.23 1235.42 20368.43 3516.38 21546.28 24584.11 27173.75 4241.07 4007.91 3964.35 2816.69 4559.75 5305.31 11278.85 17123.99 3239.95 8060.51 4382.2 6571.21 22000.47 3837.74 1715.43 21994.71 2160.27 2610.78 15192.09 13365.74 9588.49 10318.3 5510.85 3392.09 3300.48 54925.6 62205.84 33385 6263.01 11282.15 30846.12 7512.84 2380.59 5601.15 3911.43 27549.85 66003.11 29779.38 11196.8 1222.46 1146.28 3121.15 5184.96 2869.78 7201.22 23961.75 59067.34 2541.6 5597.59 8272.6 6547 7098.41 6874.17 6264.78 6237.34 6924.57 5707.84 Secophenol 1734.6 1285.57 1577.85 1891.64 4263.65 4459.1 3117.85 4546.79 5361.29 1771.12 1675.87 3109.77 2557.11 1697.03 3405.91 1119.6 1522.35 2662.25 2230.11 1459.83 2240.61 5570.75 3026.61 1947.41 1951.39 1725.48 1616.63 1839.34 1010.34 1115.02 2229.22 2434.25 1837.68 2240.85 696.1 2226.86 2042.21 1776.77 1991.25 2259.48 2689.75 2400.26 1061.47 2753.34 678.12 2031.23 2291.56 1463.89 2181.04 2883.32 2340.78 2171.42 2847.1 4329.78 1836.89 766.66 1257.81 3257.65 1960.02 6063.94 3989.7 2863.89 4672.97 4900.42 3391.1 1754.53 1496.65 2398.81 2082.51 3538.9 5685.42 1540.22 2626.24 5926.03 4832.55 1438.75 1511.2 1733.36 1590.2 1602.07 1796.53 1448.09 1551.97 1491.77 Clionamide 18123.12 1807.65 1484.02 637.03 4827.07 4109.6 345.67 12070.47 13063.17 14440.82 935.52 784.13 2787.04 389.3 5840.62 2724.24 1036.23 8214.84 5029.28 3787.37 11074.87 3191.65 666.35 2076.83 12096.38 3157.36 1125.31 6484.6 12961.4 8211.82 6042.39 3683.9 3360.41 1610.56 422.72 12670.45 10724.75 625.16 1848.79 662.4 11570.95 11227.79 1373.16 350.3 8970.5 2038.24 11608.51 2130.8 6732.27 10505.51 2946.83 1177.28 1319.28 395.29 4433.59 1286.97 3727.64 1206.16 1586.69 887.28 1786.99 919.55 888.98 1897.27 6176.61 2714.39 2060.9 3677.96 5225.58 9071.9 11427.67 3718.33 3466.96 398.85 647.59 5399.22 5205.57 4936.95 4965.68 5713.18 5965.79 5220.74 5888.69 4295 Acamprosate 20630.58 29922.96 44333.73 43213.9 36075.83 76187.14 69837.4 31705.73 38658.69 35521.28 62576.89 68784.9 97041.56 45351.48 33401.02 69366.13 45641.5 32181.42 70050.29 62953.21 28758.39 41178.58 57754.65 84190.32 54428.97 49159.02 59074.3 38160.56 17991.62 11897.76 28240.46 59266.92 19351.2 31784.5 35860.22 18125.08 25721.47 23526.14 21301.88 29512.1 13766.8 20664.01 34518.14 28370.97 27789.05 69850.33 24578.14 55109.04 26801.2 69702.9 13538.7 19631.03 28990.88 62801.5 16475.54 27650.46 58345.5 39738.75 25275.81 15492.08 26543.28 21184.5 20995.47 46592.88 46217.63 26907.36 30475.62 37254.94 53321.89 23160.59 22610.6 33487.32 37742.33 45380.99 28097.14 38540.78 40372.45 38595.87 37757.1 38734.3 38992.88 37396.09 36889.18 37788.27 Bacampicillin 1082.49 3344.17 118335.1 29118.75 8531.84 5969.98 4228.16 1381.87 17661.95 778.92 25146.14 2792.64 355.2 12453.21 17468.88 28750.48 35934.66 13904.39 547.97 907.93 2944.11 22168.99 8620.69 18024.93 9600.11 6158.27 16186.29 7984.69 1600.53 303.33 1424.03 20482.07 2829.26 19383.57 14446.56 328.77 11509.35 28605.14 952.99 19287.08 640.95 1950.36 13252.85 10724.72 730.55 2072.93 5030.55 12091.5 697.6 1954.33 437.95 15121.33 12900.09 16989.31 10901.88 25879.78 204361.97 93909.16 1624.37 30439.73 13844.19 9881.15 29086.47 42045.06 19218.07 22000.24 12275 10503.84 15438.64 1098.67 560.69 8006.65 18230.48 40329.93 20234.3 27684.72 28273.35 28072.51 27671.52 28091.61 27080.91 28090.45 27663.93 28068.73 Dicyclohexyl phthalate 3596.02 551.92 4149.81 4935.49 3583.8 2975.51 5240.46 2226.76 3051.24 5232.83 4618.53 5444.22 631.51 4796.94 3101.5 4737.38 2665.47 1705.35 541.1 2492.67 1249.36 761.39 3731.01 8352.2 4546.17 4882.56 4284.37 5033.76 2218.33 2904.95 1544.74 2379.7 659.68 4737.75 3916.38 3777.69 3409.5 2779.02 1201.74 5601.37 3154.33 2277.07 5799.27 910.66 1319.59 3936.44 3867.17 828.16 5472.78 1697.44 2631.21 3302.16 4864.04 8757.37 4584.26 4450.05 3159.12 5189.36 2368.8 1725.82 2706.92 4516.72 6097.85 5530.82 3168.74 5844.5 2638.8 3830.78 3630.05 3311.14 3103.07 2352.04 3925.88 7451.89 6503.54 4246.4 4340.44 4140.86 4134.06 4129.17 4245.68 4240.92 3675.61 4225.25 21-Deoxycortisone 4609.17 798.95 2140.28 2826.37 1668.99 4615.56 8039.49 6286.78 6865 6785.42 15386.38 23219.62 21856.44 10630.15 1659.77 10884.65 5559.73 2190.52 10570.98 3185.71 5956.4 3375.13 9847.47 14290.1 6806.9 1390.23 13328.98 20818.67 1397.8 5326.16 1611.32 11309.63 3132.46 9874.15 4132.44 1145.25 4946.19 2977.76 6933.92 4157.72 2528.15 6676.96 4371.28 4511.92 3165.88 14133.51 1463.93 1815.86 7642.54 9043.39 4209.19 1189.35 8785.14 14135.96 2907 583.18 2195.92 625.73 1139.78 1505.8 5177.09 3038.71 3067.52 3922.75 3031.68 3316.67 1979.86 10413.43 9048.01 1677.36 983.49 3273.41 6787.73 1235.13 7834.43 6157.11 6250.46 6133.46 6134.07 5880.68 6133.44 6132.73 6143.32 6311.72 Neoacrimarine J 59594.17 12234.51 2416.04 4373.71 17050.66 3354.61 391.26 46242.51 46482.94 15992.32 7414.8 27967.89 8042.68 11584.2 24109.83 23070.58 7712.63 30800.26 15839.03 34114.11 57717.93 1809.18 5108.22 4684.35 55411.47 12463.27 2690.31 20122.47 24039.56 5438.89 27524.01 4283.82 2221.94 4940.3 1157.84 16022.01 21090.96 6071.92 3364.14 2454.31 28586.7 13290.13 815.99 1517.03 12674.28 3741.98 38096.43 5647.51 14240.49 16344.86 6180.51 2227.58 919.36 1497.12 7419.35 2937.61 5658.92 2901.66 7759.64 2884.58 825.82 468.76 695.99 878.19 5080.67 16762.59 9487.48 11110.13 14679.69 20760.63 26125.79 3067.8 10562.98 2043.15 2707.04 12172.02 11080.99 11186.77 8780.84 10855.08 10134.3 10511.59 10914.43 9187.18 Tetraphyllin B 2054.53 471.77 3302.54 3937.2 22532.02 13562.23 6600.2 19977.7 24754.69 2821.02 19798.78 23322.8 6758.65 8361.65 33229.92 43170.91 8639.69 24555.56 9270.71 35523.21 7722.34 27572.93 5053.63 11979.56 14201.68 8608.53 7129.47 6384.91 16117.84 845.77 21707.66 7814.26 1870.99 4205.03 2220.04 3238.83 12361.27 9887.36 1192.92 3357.57 5871.41 5308.86 563.21 2476.74 14529.33 7408.85 22344.17 11556.12 7618.49 10984.97 677.31 4635.77 2849.58 5021.62 7795.65 646.34 3771.28 2110.2 14459.17 4775.17 9273.34 2428.07 3896.35 4526.65 463.81 9215.68 5523.04 7428.38 9121.15 10872.46 10362.28 344.29 7617.73 4089.51 2105.4 12105.13 12383.47 12261.38 12233.29 11890.77 11992.44 12376.67 12104.34 12106.85 Glucofrangulin A 642.82 918.23 184.39 880.78 783.54 695.2 232.36 165.83 491.53 374.9 459.85 262.65 322.71 218.15 483.2 312.85 509.99 769.96 324.05 468.77 337.26 454.66 339.39 34029.37 245.75 667.23 329.99 153.75 457.19 661.4 216.03 240.31 1073.88 873.08 396.31 682.74 348.57 531.81 211.44 285.43 206.41 246.42 822.66 1008.6 570.04 603.97 252.27 493.17 629.63 1044.7 638.69 696.52 502.86 276.45 769.95 355.9 865.77 762 805.23 650.34 1125.51 851.42 674.22 1037.48 401.17 1184.61 440.27 459.58 529.3 608.37 990.53 490.46 1113.31 227.2 914.3 1536.05 1963.56 1563.63 1649.33 1472.9 1485.46 1632.66 1737.82 1449.66 Paromamine 73476.5 63836.37 99188.79 64967.01 99077.82 80337.8 163707.9 91134.42 112557.96 121901.42 180719.5 226405.58 183662.87 130652.63 90563.46 226762.94 110630.71 67875.31 241878.41 104104.47 109253.36 71795.11 194703.41 173574.22 106455.87 107650.61 171844.61 196684.42 80051.88 90725.18 95156.02 236320.82 68930.76 167439.84 143187.55 65017.91 87080.39 54983.94 124988.04 114073.04 74589.24 133141.77 171680.49 89877.54 76017.9 110219.23 89795.86 162253.43 148145.67 271205.87 81128.95 74662.46 142248.53 175453.4 59305.48 73890.55 81140.59 60480.7 79581.73 25967.39 99783.52 105334.67 55728.09 148952.75 138768.97 94415.99 115966.03 152290.49 143505.85 77474.71 78192.84 141457.85 137009.13 153889.52 148021.21 127195.19 127193.63 126793.16 127191.76 126792.16 126792.65 128107.23 126797.08 127194.28 Cucumopine 18871.43 17536.36 5471.6 333 1811.5 3906.81 4999.7 3774.29 4855.36 1425.04 3722.76 1848.22 4238.4 11858.52 14357.02 385.3 2184 18474.53 2575.71 6762.08 1292.48 3299.81 4773.83 1154.59 2914.44 5165.17 5598.37 1458.6 4113.7 1587.42 6877.33 28158.28 3291.04 370.18 3504.24 1601.05 4421.4 682.92 3004.46 1665.55 4579.13 21503.37 2150.05 594.95 1124.84 3255.94 5707.22 3421.25 1333.18 13694.33 11656.23 12445.35 525.3 2272.96 3950.92 12555.97 2298.1 2351.56 2321.93 495.98 2426.75 1967.52 10864.69 1824.47 3253.51 23294.25 17016.98 1884.81 753.77 2876.08 596.72 2400.56 2481.33 1669.41 576.54 5030.35 5217.8 5069.57 4985.06 4991.83 5029.93 5220.06 4972.95 5401.68 PM-toxin B 834871.71 808848.33 957231.15 937564.81 714615.27 837919.93 720085.85 679758.34 722468.61 1078893.07 962335.57 583462.75 473694 819042.74 635677.7 709058.75 1287820.39 504687.41 493810.5 523246.81 1019499.24 856506.33 814596.16 607604.19 618292.42 850934.24 833122.75 662513.68 720417.89 2069707.76 829814.46 649940.33 1642405.36 818024.4 992615.12 763936.96 1139987.89 1487778.87 1254126.21 1526090.39 1407161.23 481079.31 715563.85 1319489.7 403574.98 664417.25 604114.44 842175.85 735181.25 607256.82 989410.83 924884.78 801408.67 706057.78 907033.58 792343.63 1084457.9 1011508.59 969051.64 1157956.77 1273957.66 898006.73 925344.06 968496.71 916460.28 796407.77 688956.03 678667.35 851143.36 906005 1119792.22 990546.56 1187959.95 966455.03 1078098.71 966596.81 956029.09 966040.38 956030.48 963912.31 972726.6 941636.36 963076.45 955675.18 Thiocyclam 593.98 272.9 1061.68 800.4 1068.98 2342.37 379.11 1389.17 1223.67 589.17 934.73 3072 1413.63 1153.21 969.85 1023.27 945.85 275.17 422.83 850.44 618.44 1344.82 1194.41 2033.23 436.99 1640.43 1446.92 4567.02 376.58 1706.15 329.78 3656.94 576.15 1050.85 1158.31 1004.58 493.28 374.68 886.6 1416.45 5017.72 601.77 1165.17 1055.26 349.91 362.28 792.26 608.45 745.53 746.55 633.46 289.27 847.28 2472.11 1083.32 553.32 366.51 311.53 921.4 2324.81 1310.23 2106.24 540.28 480.84 594.05 389.39 622.74 925.9 598.74 973.11 1303.22 604.19 1017.62 865.06 1406.99 1732.16 1730.58 1466.84 1788.53 1935.3 1731.32 1797.58 1792.24 1822.54 2-Isopropyl-4,6-dimethyl-1,3,5-dithiazinane 1944.48 767.13 6345.44 7464.88 23841.71 5828.2 14781.36 5369.52 3758.63 3800.85 16665.11 22488.96 21439.35 5561.56 6439.95 19876.2 9112.92 3242.84 2123.67 5265.33 9192.93 6875.33 5767 3349.28 3359.9 4866.59 4244.5 6174.36 16003.95 3563.34 2212.56 3359.58 2153.19 18737.44 5660.24 2874.62 2975.12 5597.07 1000.23 7833.14 1494.22 4262.48 3886.73 1376.55 4132.45 8178.35 6232.22 1866.55 2851.9 6177.39 2878.08 2096.9 8114.13 32594.87 3409.37 1076.84 5513.27 4961.69 5049.81 6723.6 470.19 1226.9 6541.23 19178.15 5402.26 11440.14 3303.88 824.51 2872.65 1831.02 4868.24 1505.7 4691.43 35138.99 21016 6413.12 6585.88 6587.49 6584.35 5805.58 6396.53 6482.9 6470.17 6596.95 Fosfomycin calcium 34107.95 7307.99 410417.18 569446.89 148297.61 60909.95 202946.47 5262.62 31828.48 36189.98 9144.35 24407.66 1179.26 54776.8 1334.73 13470.24 5464.46 3188.37 46422.03 21614.41 169515.4 18887.19 33618.51 6759.92 54226.69 19755.22 46132.83 48870.55 49327.01 17338.44 15201.41 46823.42 24057.85 28307.53 37301.23 21594.95 24485.5 1159.01 40189.12 23365.27 5370.33 37427.02 29771.18 53446.47 36871.22 161607.55 13205.69 34469.94 1139.77 49655.46 32152.28 39543.29 43721.9 2537.5 31122.98 44589.51 289882.98 214804.49 1437.72 4251.41 52061.15 27465.21 36514.18 2779.94 26776.71 7302.11 130320.86 56174.71 1259.01 25089.07 1255.25 1109.21 33770.53 1950.12 8415.39 11584.59 12918.57 9827.37 10982.9 11675.91 11044.8 11212.07 11620.38 11566.36 Brassicanal B 10015.99 12930.15 1476.18 1794.58 5964.09 6461.34 456.73 15075.98 22022.52 4246.25 1994.09 3065.13 959.18 1279.33 10428.86 1936.94 999.07 2572.77 6665.48 6412.02 18078.85 15269.46 3685.58 3388.36 13665.8 17089.18 1481.7 2468.32 5596.15 384.37 12731.28 1140.4 7961.9 611.09 1102.83 4697.89 12130.19 8652.36 902.87 460.84 1454.45 5449.09 1259.24 452.57 2164.24 458.83 5467.3 2525.37 2114.11 2319.39 1997.72 10590.33 1000.6 962.61 3500.11 11419.31 1624.93 1026.66 9515.37 3725.35 638.51 571.27 5404.94 577.12 948.16 3926.94 18260.71 1703.11 542.2 16301.59 7416.49 2825.95 1704.47 514.53 1328.74 109211.51 113277.8 108491.45 109364.05 105055.18 107736.06 105709.11 109380.93 106763.37 111099.0 161492.36 109555.17 103371.44 105209.84 106422.89 190153.99 108569.68 106619.11 109957.19 111662.83 115219.96 121218.06 103414.9 109813.83 103911.01 5026.54 4570.62 5032.56 4642.86 4625.67 5043.34 5828.32 5022.97 4626.43 Dimethyl telluride 1196.18 380.54 416.86 1298.72 4769.49 8412.88 2176.26 561.2 610.17 590.45 1397.25 1742.2 1495.69 443.4 1194.93 2244.42 2327.22 1267.22 2955.52 322.57 392.56 585 665.74 469.56 1329.16 1153.1 677.73 948.36 3109.48 1124.29 544.32 1043.06 976.91 1134.61 276.69 562.04 877.58 3066.27 698.36 735.42 910.97 4074.05 813.38 433.97 1814.57 269.49 943.65 596.75 784.28 6085.4 1147.63 807.58 2291.06 2013.07 3064.44 1759.39 276.38 656.11 1565.54 1174.43 913.98 2146.2 1513.1 940.71 1159.92 2275.89 447.83 707.09 683.16 591.25 291.89 456.6 2806.62 1769.88 796.15 75489.31 96385.2 53525.56 108375.43 108476.93 36202.34 156835.1 49111.03 120255.5 28778.47 69488.97 121166.9 106447.67 104304.95 101812.28 78467.32 138560.24 121215.14 35602.06 64217.15 142182.65 100241.01 107943.15 100513.99 99083.95 2164.08 2185.09 2077.1 2147.32 2074.93 2207.52 2030.95 2092.16 2091.02 p-Lactophenetide 2388.34 3828.87 1498.91 1154.47 4199.66 3687.16 2352.97 5933.41 3637.97 2910.03 3009.81 4231.01 2290.71 2165.49 4793.97 1887.74 1667.02 3689.83 6606.82 7866.34 4005.07 2548.01 2365.08 1702.69 5787.28 5290.31 1979.85 2967.37 5379.02 1720.32 5141.97 4535.65 3379.79 2607.57 2333.53 3095.94 3872.92 2393.5 1622.47 1812.95 5605.49 4877.71 1995.26 1614.41 3155.89 3343.39 3400.6 3345.16 2637.46 3006.88 4145.29 3960.18 1964.23 2537.41 2260.31 3340.11 1101.65 850.3 3477.93 1016.05 1483.54 1384.96 2957.61 1800.52 2642.36 3343.22 5371.7 1794.41 1564.41 4392.74 4765.31 2320.72 2169.93 1992.3 2281.89 3889.48 3711.65 3848.6 3742.69 4016.63 3749.29 4253.51 3594.14 3795.32 Inosine diphosphate 19030.36 3314.7 2278.26 1041.55 7582.77 4407.63 3431.13 17589.22 15581.53 3448.45 3936.13 2365.13 2631.98 2093.56 10547.67 5256.11 1498.92 9746.24 3312 21262.4 8478.6 1282.3 3361.77 3611.29 9345.68 5257.79 5430.09 1565.03 19554.45 10876 22235.81 6527.05 12600.46 784.97 659.95 7704.59 9210.53 1329.74 2391.85 1714.13 14513.62 9333.98 1084.76 1396.12 14020.48 2201.69 14482.9 3947.14 2326.75 9546.7 4084.03 4943.08 1602.55 2288.68 1494.44 4779.83 3029.25 2216 9844.39 2534.77 1606.68 1526.6 1691.43 808.75 3385.95 2262.04 10173.74 2229.85 6305.35 10661.51 17620.16 9780.58 2312.24 2380.93 2470.86 3593.85 3414.08 3271.85 3265.69 3394.43 3411.85 3171.79 3422.05 3292.42 Lombricine 1020.33 12846.05 5208.3 14073.89 5739.21 5617.73 9143.2 1686.13 3516.59 666.82 2901.1 7125.45 13197.58 5032.53 11005.77 9277.57 14837.8 7361.52 5523.99 3399.04 1360.51 1350.44 723.66 6362.26 1435.55 1804.44 1888.22 968.05 1590.44 1921.84 1697.65 2163.36 3681.68 2213.38 2401.66 1604.67 1753.94 1297.25 3603.49 3154.52 2445.68 1903.46 3161.18 2757.81 1662.77 626.25 1689.72 1483.41 1448 1121.94 4219.85 2814.46 3084 954.54 2202.51 2497.69 7375.53 1667.08 709.51 2903.8 532.94 3220.9 1406.61 872.93 1190.4 1199.42 516.66 1394.09 2048.5 852.76 1444.59 1827.71 2839.28 2600.9 2375.4 1881.49 1750.59 1862.67 1914.64 1927.59 1693.7 2122.43 1663.77 1737.93 Xanthochymuside 21720.29 4447.71 588.72 499.62 3604.32 5266.09 370.73 37457.91 22877 18650.15 7425.56 8159.83 733.31 5986.06 18863.67 9555.93 7370.82 11413.59 7832.44 4841.18 33198.27 4461.4 2570.41 3372.13 22965.88 11041.84 9505.33 19544.98 12277.37 13608.57 15465.2 1963.8 5408.18 348.09 837.85 22454.4 6613.81 1385.03 1184.95 5908.27 5158.66 2974.6 373.31 1352.16 10656.21 479.6 26762.22 6509.42 13982.52 5169.27 2864.85 1956.03 463.2 1256.97 8039.01 2608.29 1043.45 437.53 12077.75 363.63 446.94 344.95 3983.22 500.43 7767.58 6681.87 7278.11 8832.75 11013.3 9401.44 11974.59 7836.57 5753.96 833.28 1683.58 9312.07 10661.84 9165.95 8664.66 8591.58 8076.44 7946.69 9450.64 8663.62 Toluene 30601.18 19378.47 33239.12 77807.55 75279.85 90698.47 112779.08 43365.44 75470.35 16562.06 24679.31 26822.32 47875.41 10563.1 37473.61 41718.12 32589.19 30727.75 14166.1 11851.31 83793.98 10839.4 21821.8 30257.75 11711.52 33244.18 44400.07 20803.94 69131.26 5783.97 8268.94 17308.52 6656.21 21394.28 16487.8 4872.2 22670.12 27135.44 26361.57 16114.19 31555.06 14516.01 9446.21 32703.62 14119.75 78521.59 17194.03 9042.3 23555.19 21122.78 29220.91 15700.65 13992.6 40889.86 24747.04 26923.68 200593.68 42191.67 8751.43 26566.75 26560.31 20475.4 53364.86 46903.55 5820.41 41425.9 69699.7 13823.74 38185.06 13665.98 32221.69 13146.49 39164.78 21453.81 69711.18 27840.05 28532.97 28221.02 28140.2 26920.32 27833.6 27820.33 28201.33 28034.5 Chlorobenzene 1173.69 10071.63 3449.4 4596.38 4912.78 15269.35 10442.82 5784.84 10614.19 1969.75 9730.09 2747.9 6123.78 1555.86 26875.99 25857.16 24537.78 26470.45 5805.99 27837.33 7951.03 2698.03 932.21 3921.5 1684.77 2034.67 2155.06 1476.57 18759.44 666.47 23766.44 4402.47 10751 1204.24 2975.19 2159.3 10476.88 4250.87 1298.7 3027.17 2934.41 1286.03 1960.51 1728.4 10130.67 4838.43 21753.6 14010.18 688.05 12229.23 854.46 2924.1 1978.69 2696.39 3327.37 11385.1 7806.48 4510.12 17598.14 6097.59 2132.7 739.08 8056.36 12907.11 19176.1 2607.52 21726.56 3112.44 10651.13 11737 14265.76 8643.77 15677.02 14880.82 13771.6 9731.73 9987.33 9968.06 9734.9 10897.64 9989.75 9653.29 9709.88 10428.28 Tetrahydrofurfuryl acetate 34890.24 21742.04 8483.91 13361.98 40368.04 22632.66 30223.26 35892.92 31064.87 27396.48 27742.27 38357.34 29870.34 30512.56 24959.89 23355.1 17145.08 31869.77 29164.05 60656.13 29839.68 4794.79 22501.91 21334.71 39064.98 31603.67 21195.19 37773.38 35337.28 15552.04 40952.68 49610.82 13235.71 15810.98 12922.93 35672.04 25864.52 15441.03 13713 12695.28 45077.13 55389.03 13479.65 13000.11 36383.61 27221.07 34334.49 31334.65 23015.56 58282.19 38991.89 18133.36 16434.57 21294.22 20596.18 17476.48 5900.28 6380.61 20282.22 4327.14 9237.31 11730.11 14583.66 9661.51 11298.68 38080.92 30778.86 21744 22249.05 22827.06 23753.28 20609.01 15338 13650.92 20219 30987.87 30704.31 29402.31 31011.46 31008.1 29810.65 30020.04 30011.55 30353.62 Egualen sodium 11834.79 11982.69 3902.42 2860.07 18802.83 18927.2 7927.06 16184.21 14272.95 4971.91 4731.75 1870.33 5185 2692.94 13500.78 2391.6 1151.36 3925.13 1670.69 5191.65 18336.12 11880.25 4371.04 4282.41 13935.93 9416.49 1279.28 1709.58 2262.73 1673.15 2900.1 3158.98 2146.89 1117.76 1097.38 2015.86 7906.7 2796.64 608.29 756.65 1754.92 10093.26 2521 1599.64 4334.9 5976.39 1840.76 1832.43 1269.49 3014.93 6409.63 6800.46 992.32 2197.98 5474.73 4523.63 521.09 1518.68 7860.17 4548.98 928.33 1103.14 5968.71 2141.99 1534.48 9236.43 10897.57 843.88 3539.54 8714.63 6255.36 4098.78 915.85 1393.73 3208.15 6013.4 5542.54 5746.27 5693.52 5699.89 4894.89 5006.63 5401.41 5386.42 2-Oxoheptanedioic acid 11112.01 1936.1 331.68 54.93 40450.66 5388.37 3084.38 47241.02 94649.03 2853.77 1326.96 5830.52 919 726.4 59070.08 4416.7 3985.52 114529.62 3330.93 745303.61 9906.11 2149.98 1018.68 1452.46 40273.8 87038.58 2727.98 967.79 9524.63 325.9 10642.27 2794.52 893.23 255.3 421.55 9380.31 50682.1 3696.92 1060.9 2790.8 64329.03 3868.97 641.53 419.9 1369.1 3301.74 2372.93 761.54 322.38 1512.67 127.98 566.47 304.82 500.12 1975.61 832.06 361.62 501.79 16020.12 16043.8 598.74 145.22 729.82 888.27 946.32 3490.2 2959.11 904.47 1715.96 40933.89 220648.39 2893.27 3358.79 1565.01 2625.29 80036.85 80123.72 78796.49 80124.52 77103.46 79389.6 80120.95 79315.69 78899.73 Zuclopenthixol 1230.71 4034.81 1952.62 10284.3 956.58 7307.1 682.93 4696.65 21604.07 718.99 7578.4 35892.65 17165.91 2551.12 738.2 1973.5 3182.67 2100.86 1085.22 373.98 45191.15 169.69 44638.17 16964.98 596.65 2024.69 804.64 29124.45 1020.05 10143.83 14914.78 2353.94 173.77 11907.97 9501.97 543.72 2112.09 296.53 959.65 801.07 300.51 491.1 702.19 5555.67 929.81 46204.94 19642.66 940.91 27387.09 144.35 22250.02 23057.96 1518.1 33270.35 463.22 436.74 448.32 4750.33 3107.58 2781.07 1165.98 3143.98 1839.32 2064.49 197.23 27600.16 23671.11 7705.32 13965.57 1551.88 5851.28 1373.68 2368.24 7425.43 16912.37 11673.56 12026.17 11254.72 12062.53 11163.65 12103.58 9999.49 12038.58 11438.4 D-Methionine 2912.73 2748.83 9997.32 6849.11 3027.81 2249.12 4094.31 4469.41 2985.01 2382.17 2286.11 3796.12 8253.07 3795.94 3042.69 4080.78 2452.81 4592.67 2863.48 3108 5109.16 1103.6 5651.65 6591.2 6633.44 2086.62 4484.95 4947.69 3417.98 3195.5 2047.44 2745.23 1518.79 7178.4 8914.21 3505.39 6114.63 2031.08 7458.11 4431.52 4452.26 1158.9 5388.34 5804.37 2482.74 6295.83 4012.24 3600.58 2965.8 1701.63 4266.78 4046.72 4773.86 4180.2 3716.8 4154.7 8941.76 5660.13 2190.34 3093.38 4447.03 4547.85 8813.9 8235.98 4666.11 3054.13 1711.75 3732.89 4492.82 4143.14 2189.19 1719.91 3733.8 3635.52 4824.05 3157.2 3151.62 3036.18 3028.73 3017.5 3122.73 3148.93 3148.18 2489.77 Pretetramid 5366.51 4428.54 1113.94 1808.66 488.13 5053.88 2080.62 7081 8529.25 3660.73 2707.31 382.55 2673.54 2614.01 6991.56 526.52 2471.11 7394.72 4961.93 10229.99 6019.11 431.88 2599.57 2220.56 6452.41 680.06 397.83 1166 10607.17 1627.53 16145.63 3371.89 6711.66 2705.66 1103.69 4712.94 7370.69 2131.11 1320.5 1470.32 7518.9 9102.05 2703.71 1700.49 12174.3 509.81 12666 2414.89 1580.97 12622.91 7054.93 4065.12 2419.54 1385.19 6239.64 5796.52 1187.09 762.35 4940.37 2494.1 2431.85 481.89 4355.52 769.89 3523.04 3272.54 8399.32 1383.88 1060.07 10399.18 11373.33 5499.7 6881.65 3026.11 1997.2 4431.7 4648.1 4891.77 5109.79 4197.5 4157.39 4594.73 1904.06 4193.82 D-Erythroascorbic acid 1'-a-D-glucoside 1166.1 15055.87 2132.93 2358.81 6860.22 37033.2 3456.25 3335.28 1581.85 2881.71 769.1 1838.08 3997.36 924.77 5097.65 2315.94 2235.64 2917.09 1426.75 3300.2 2504.29 1906.83 516.24 671.69 1098.94 7388.7 1999.97 3165.35 3823.63 3199.05 1360.53 3676.33 10852.88 2069.09 1470.27 2720.07 1207.94 14501.02 2100.01 342.55 2564.82 4004.72 1315.31 1136.12 2757.37 2908.7 4357.3 3076.64 3107.56 961.47 2666.51 3046.57 484.5 4589.91 1934.59 16457.44 4625.82 2136.77 2238.1 14174.75 2324.44 1014.25 5077.02 3774.23 1121.8 2046.38 8859.67 1877.99 1203.53 1216.36 11136.71 1511.95 1228.21 2304.05 6157.77 4318.77 4656.92 4297.41 4735.61 4660.1 4076.56 4707.59 4262.26 4302.92 (-)-Isopiperitenone 41511.95 20864.93 81539.52 100669.97 81073.42 71287.43 256846.18 51414.86 32269.57 38563.65 46245.54 62288.05 172716.08 57743.97 23609.99 56216.96 33600.85 38584.47 47842.11 25035.12 29869.38 20964.43 106935.39 66282.95 51561.74 16243.91 35437.14 69090.32 32788.24 12118.18 21914.68 43834.28 18757.87 106901.69 57451.41 34376.47 34412.23 37064.24 89735.9 41962.92 16245.87 20252.14 55648.65 37167.97 29553.59 326402.08 27786.85 29794.85 66979.01 71053.18 75047.25 46386.4 78599.74 199458.34 52032.7 26272.25 62000.03 40799.26 19926.4 29892.68 49521.61 56405.13 42981.58 66044.51 38884.1 51123.62 9392.41 44685.12 37706.65 34711.26 21736.49 20005.3 49355.8 72666 231636.81 59383.62 59554.38 59523.51 59830.91 59333.14 59332.97 59567.04 59727.64 59277.23 1-Methylxanthine 9487.67 30779.89 4932.82 527.68 6110.95 3746.85 6066.26 16956.42 26819.27 23540.99 22052.77 9623.93 5159.87 10410.31 26011.42 15496.54 16830.66 12674.83 19083.02 2105.53 10309.7 1196.05 10652.63 15542.22 31347.17 43074.06 18815.26 8118.83 7439.5 2122.25 4534.96 10470 37865.61 3516.83 4087.71 13947.15 19520.57 14389.57 7292.17 9128.85 3747.63 19070.78 12812.72 8323.19 6592.65 5220.79 13814.17 10952.41 1847.47 13383.21 8627.17 7640.21 3257.58 6873.61 15557.94 30875.29 1931.32 4544.12 16472.26 929.19 7841.93 5618.3 14287.29 12230.86 12490.19 19323.52 28246.92 8555.01 11848.23 19199.96 13299.84 14122.83 6113.64 4541.25 2508.12 4352.2 4228.83 3850.52 903.9 3629.69 4596.46 4363.73 2277.96 5072.27 6735.37 4451.43 6354.46 4154.2 3838.55 3390.68 2124.8 3390.63 9230.45 3924.4 2881.2 5710.28 4003.72 3058.84 6646.32 2869.91 11043.29 10960.8 10749.18 11421.97 10897.42 11462.38 11419.97 11432.08 10306.06 Bisphenol A bis(2-hydroxypropyl) ether 12175.28 8097.28 4273.75 5672.57 19302.77 15217.31 3221.42 9768.41 12191.17 9569.44 6940.7 1103.06 1857.51 5861.62 7227.77 2437.06 6367.04 7737.31 6797 6806.89 12004.03 1395.24 5913.39 6565.75 12737.63 2187.05 5252.2 5179.14 16475.11 5819.44 3865.95 10490.02 1430.58 5314.94 6318.72 2705.38 6674.82 6932.86 4213.04 4735.03 4868.56 4848.03 5151.77 4253.81 6982.86 6679.11 16749.81 1956.6 7810.85 7200.27 13610 4552.73 6484.22 6598.2 7406.26 12645.86 6460.33 10609.65 15897.91 4597.22 3334.35 4088.74 3169.55 9252.54 7576.98 14199.43 14743.58 4057.94 4753.44 10658.29 7508.1 4757.69 7068.84 10173.84 4151.13 3442.37 4136.26 3476.49 3655.87 3440.22 3451.35 3619.78 3238.01 2920.03 3-Ketosucrose 710.45 4840.46 901.88 2630.97 3188.93 24807.08 2734.65 9027.24 1119.75 417.85 1595.84 2956.75 13546.71 16639.92 13530.44 7327.71 9220.21 3911.23 9770.59 8058.81 4168.56 2586.91 4492.62 5808.42 1557.87 6123.3 2579.81 2405.48 8982.48 8028.97 23576.32 23011.3 5815.04 5918.97 7492.19 12884.02 3827.63 28513.03 2473.13 4637.27 21132.56 20952.88 797.48 1865.97 17205.27 7453.39 19614.02 2447.23 6746.83 24361.04 10524.03 18138.12 1473.76 3145.98 2834.06 8853.16 1251.76 863.02 4227.58 5424.1 1050.71 3771.04 8215.23 418.94 3353.79 11084.37 13000.75 3514.56 8514.31 4585.18 11782.81 7710.88 9120.39 440.23 2747.05 11010.62 11376.97 11967.85 11481.97 11017.57 10983.17 11494.85 11722.03 9930.83 (1'R)-Nepetalic acid 12831.8 6677.68 2766.3 5527.8 13356.81 26203.05 5403.2 15102.4 20033.78 3949.14 379.43 1238.08 2151.53 3867.62 7189.74 1262.04 2891.94 4350.33 7158.99 33249.9 11636.08 40797.43 1085.29 656.74 9857.94 10594.1 638.51 1706.77 8833.01 9876.19 13316.62 445.42 7373.43 4426.7 2719.2 3233.41 2966.19 9180.8 2385.94 1467.16 10056.63 8278.76 855.07 4160.58 4614.75 2728.53 10368.89 1022.73 298.88 916.8 6813.48 13342.67 1949.33 2699.02 6031.24 2526.41 5781.94 3439.01 2426.64 17091.22 4707.28 2372.36 3037.85 4046.64 1047.95 10285.58 2954.65 1631.19 4708.53 5381.17 13842.65 1689.42 1097.86 2354.4 5775.65 4690.04 3727.24 4309.59 2742.04 4918.16 3548.2 5136.95 4316.65 4014.48 trans-4-Nonenal 15410.84 5539.97 8062.66 5014.49 9047.54 6508.04 4889.49 7842.4 8980.54 9584.59 6703.57 11318.14 16280.26 10385.17 9026.36 5026.03 3097.45 15729.87 22231.46 2315.86 4408.89 4576.65 6972.57 11159.94 10085.86 8894.71 7127.34 8577.43 15253.33 641.63 15880.09 26391.5 2948.45 7702.2 7036.21 12693.92 10066.33 4264.87 7863.02 5481.74 4631.22 17339.18 6589.89 4714.68 12724.71 8839.14 10074.56 7733.53 10886.51 21091.18 11915.6 9368.78 8189.62 9844.87 6157.5 11507.31 2589.39 2665.56 6006.16 1761.43 4009.46 4994.68 8213.15 4445.3 6061.89 12641.21 4648.23 8101.68 6659.5 7146.01 3821.71 16140.53 5019.38 9194.21 8252.51 10092.53 9807.71 10090.04 10013.1 9746.09 10205.01 10093.35 10122.56 9749.36 Methyl 2-hydroxybenzoate 9088.33 6995.34 4747.02 6274.03 12251.12 12169.41 10729.45 10268.88 12255.87 5364.94 6852.29 6592.01 5828.77 4359.33 8834.78 7055.14 5432.27 7555.67 8260.48 11521.17 10541.19 3468.14 5950.06 5979.62 8370.34 10666.66 7690.91 5329.27 14057.71 999.27 7404.75 5887.74 5072.6 4343.45 5437.6 6073.65 5688.5 4556.15 2486.75 3165.45 5231.21 7063.37 4521.56 3585.56 5601.38 9680.23 7004.62 6201.69 5142.1 7934.29 4390.15 5044.51 4684.62 6887.57 4997.74 5828.47 3885.7 4662.73 6101.28 6197.06 3805.12 4213.91 2816.35 4678.22 7373.65 7426.95 7657.45 8185.21 3644.18 6303.86 9526.73 5873.72 4707.22 5297.05 7857.14 7578.66 7518.94 7474.27 5435.09 7161.32 7476.58 7029.09 7529.46 7180.94 Bila 2185BS 80807.49 19522.09 29815.28 35226.78 68917.86 44207.8 4859.61 197513.38 159919.37 157706.98 91604.26 76329.09 36220.08 37903.33 51168.31 52077.32 46665.01 47278.28 59102.52 63262.84 48782.27 30900.16 113949.76 39185.99 53242.12 156313.82 32453.04 132184.22 243148.42 192929.32 107036.88 70928.72 136531.7 136550.11 62343.46 189360.72 73182.72 105438.38 54703.92 38951.37 178056.65 172514.23 66184.72 61571.13 187090.23 80468.24 91259.75 63307.06 63499.65 160691.89 91311.17 79952.1 131646.48 113184.98 164492.13 76420.62 11968.03 29372.39 118661.92 52157.9 27603.48 8599.48 58510.09 185277.62 51673.32 51202.23 24667.14 30363.08 85860.59 150240.67 134943.15 141947.41 59314.51 114062.54 79073.23 129118.15 135253.04 129339.46 146366.95 129371.19 129080.47 133820.44 134113.91 134852.37 Decoside 2946.37 1214.31 12451.19 666.96 2702.71 3485.66 1379.38 4921.84 3243.8 3612.93 24742.77 11004.81 1717.05 3441.97 4102.08 2527.55 3595.73 5804.15 30892.43 1448.24 4876.02 3149.37 20899.01 18553.27 4758.76 3111.26 10783.51 2067.57 6833.84 9580.75 1859.43 24197.3 8606.16 15533.04 11290.12 1261.78 3347.84 833.75 12354.75 8666.2 3852.4 4202.39 16548.89 9099.69 8013.6 4578.73 7117.24 20051.52 6567.99 11933.41 1492.63 5296.77 10914.93 3980.4 1478.72 6456.04 5820.07 6075.33 2943.81 755.63 9392.63 9572.52 4635.6 18399.54 15425.14 3322.86 6912.98 12090.71 16970.46 7521.42 1684.95 15026.59 16210.51 23259.47 8512.69 9234.45 11082.34 9373.57 9549.27 8599.29 7992.99 9335.23 6293.41 7722.81 [(9E)-8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylprop-2-enoate 3686.78 3055.4 417.68 2824.6 6058.61 4199.86 4424.28 2843.18 7796.76 3142.79 17330.4 5764.03 2724.11 3029.79 4417.52 7042.61 2568.22 7439.83 8008.22 11413.16 5353.48 2517.18 3664.42 2572.46 4163.19 3294.73 865.47 1294.59 2294.21 1188 6211.33 5384.97 2371.48 488.52 701.22 1540.05 2495.04 567.22 722.09 333.51 5788.7 4173.04 894.09 721.5 6315.71 3355.98 4090.54 2231.06 1195.69 5887.42 2506.77 1887.6 733.75 2926.4 2287.77 1841.87 1746.99 1210.73 4610.22 1164.13 1000.71 1382.96 1244.34 2483.47 2360.91 4217 6158.41 707.12 1583.1 3655.41 1469.45 2994.28 2318.18 1039.77 2990.37 4416.34 4202.99 4206.92 4335.99 4176.83 4644.21 4415.43 4205.76 4434.29 Mancinellin 2380.66 2403.03 21335.31 7707.76 34073.07 3461.44 967.42 7376.43 2205.72 5758.15 5277.93 66203.24 1564.12 20410.12 9492.79 31388.43 5477.9 13502.4 33661.92 43348.74 48764.11 17162.21 28542.36 5632.69 18135.61 16344.38 9472.44 17236.61 24785.05 20260.53 19987.59 127264.68 1100.96 31188.45 4299.16 1971.85 2018.56 8312.19 3294.44 4681.83 5527.62 8265.57 16257.53 2953.55 46477.78 4093.02 3816.74 20499.65 5713.92 28315.02 68056.97 9215.38 11544.47 6820.1 7804.21 7512.61 1886.87 1297.7 13358.61 421.53 1535.28 3223.55 20579.06 29282.99 28821.85 19510.91 17881.98 11338.68 8739.27 22720.12 4920.73 27525.91 12878.15 9652.43 14754.47 16559.11 17868.3 17970.78 17973.21 19261.21 15574.28 18334.12 13972.57 6645.15 2,4,5-Trihydroxytoluene 2873.61 2730.51 1449.59 1099.63 2549.03 7179.93 2927.03 5001.67 1651 1928.45 1325.02 1879.41 2267.77 1373.77 6568.49 6452.86 2519.78 14438.17 8674.49 46099.4 1928.1 6414.22 3133.83 856.53 2072.93 1592.47 1448.03 952.59 6201.07 3559.07 7698.65 8602.19 2706.27 1042.71 832.27 1331.01 1264.29 3073.74 718.37 493.38 9991.06 20927.54 993.66 656.89 9017.97 15815.17 2004.04 2057.68 1042.77 1710.51 1975.37 2218.83 1013.48 1695.99 903.55 3279.36 720.61 1761.29 1404.14 2176.18 2592.03 1146.71 3853.7 1378.82 798.8 4053.43 1351.51 1675.1 673.66 952.18 1674.16 2989.29 611.41 744.89 1124.69 3493.72 3695.19 3736.23 3513.17 3489.24 3743.22 3637.22 3677.36 2932 (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 22523.54 18295.24 46620.69 36926.14 27571.71 527.73 55691.31 35553.13 32359.81 21073.04 33059.85 50583.55 25257.69 30463.77 27238.48 33314.84 22519.4 26376.19 40434.6 28217.58 24475.13 7239.2 28367.87 37741.06 36985.46 15318.47 24766.13 28028.69 17540.55 4612.61 21616.28 26203.65 13743.03 40382.03 30103.84 28094.28 26168.49 15885.12 35658.07 29040.14 734.48 14461.42 32354.61 27098.65 25558 51902.57 19615.13 27741.95 37402.91 23402.2 43258.42 21790.34 41992.4 68650.84 24098.99 21599.78 36858.04 35603.8 14118.36 23664.09 27007.07 21498.05 37957.1 50050.81 34599.07 35674.8 21524.71 17382.81 25745.65 31824.92 26339.79 18084.17 42676.26 45855.22 54853.92 32931.14 33540.81 33640.69 33498.74 32925.58 32943.46 33471.41 31999.83 32925.21 Bronopol 147950.03 68759.7 72671.93 91358.93 70334.88 135190.47 128506.24 79285.78 156668.23 79835.92 85471.12 82394.83 108588.74 84451.18 68557.98 126090.11 35773.2 40663.31 75513.93 74910.12 75121.8 72314.66 146195.53 66282.24 123402.03 60438.76 115553.61 35442.15 39796.05 68761.58 51727.62 51779.8 52978 82573.52 60279.25 49121.1 48419.13 45581.09 74923.98 24842.65 49467.16 29409.39 36809.36 49042.7 45123.39 22557.34 44329.37 54679.43 61395.45 37357.51 24017.14 51758.79 43884.79 65331.11 60946.7 34373.71 41805.45 50070.18 46719.23 22264.15 44607.6 41950.53 40008.3 39912.09 31934.07 45715.13 72373.77 31797.86 41792.36 28708.9 28010.33 39167.56 33452.54 66983.39 39143.56 45411.93 42120.85 46799.56 49753 46971.73 44728.72 47133.24 41618.76 39873.1 Amsacrine 8988.76 2836.45 512.34 550.78 2214.88 5732.54 783.15 887.55 1751.99 863.43 5146.37 114316.81 9695.72 678.06 6940.73 6457.21 1643.19 7951.34 11321.4 22546.39 7393.75 2009.87 694.31 5419.14 2729.97 5639.82 1696.99 1546.5 2613.46 28442.64 3564.85 2358.38 869.18 8412.77 6070.77 33297.3 5801.2 714.12 4963.92 1714.22 33041.92 28754.42 534.22 3894.44 18432.35 3532.91 8292.1 54066.22 3363.52 3842.57 8330 4044.82 1956.24 8143.48 9050.23 1790.22 8663.48 3195.47 2862.99 17828.47 7272.27 918.5 6298.61 577.09 491.8 10789.13 8908.61 4724.53 1483.92 11787.5 6927.74 525.81 3048.92 1685.89 4316.7 3841.06 4263.97 3707.4 4285.48 4102.16 2497.12 4275.06 4477.8 3902.78 N-(1-Deoxy-1-fructosyl)tyrosine 2246.45 1500.43 3594.85 3133.92 10852.93 2445.17 1228.63 1077.74 4049.29 5953.42 14737.42 778.87 808.88 1857.32 608.22 2886.39 29005.39 3881.85 1200.61 1012.41 242.94 3171.15 673.93 1673.26 2617.5 3709.66 566.08 2218.71 3951.69 379.62 764.98 824.54 1133.92 2048.02 2361.51 932.53 3275.37 760.08 1190.11 6802 335.09 1185.08 6206.6 860.22 1005.91 11180.1 1168.18 1437.62 6251.03 1061.61 3596.71 2199.11 13089.68 14434.97 23191.75 1986.18 1599.22 12517.15 1673.64 1998.63 2086.5 207.6 1731.99 13844.34 5911.96 1836.73 789.85 2149.18 1253.02 3063.31 2582.68 1243.78 9089.16 24255.17 326.38 59761.71 51538.63 74335.94 50731.6 67604.0 56382.63 46756.49 43098.67 51986.9 64791.49 84665.32 52373.79 53032.85 50103.37 71229.36 53687.93 52631.36 47480.52 54503.46 48568.99 64374.1 61154.59 45176.7 46743.25 51207.15 5154.81 5860.91 5591.68 5638.12 4494.19 5879.61 5884.16 5865.37 5871.9 Margrapine A 2215.57 2438.11 1731.51 5039.67 561.33 964.9 875.75 2584 6137.43 875.13 1930.98 16228.18 2131.01 566.99 3286.58 2092.24 1722.93 1376.68 969.45 4577.21 34961.84 1249 24048.05 5090.19 915.1 986.13 1392.15 12826.33 2745.21 5381.78 3771.64 1516.87 668.46 6173.4 2763.96 1292.22 4057.67 778.35 480.53 7433.2 5410.47 5781.51 738.67 3524.17 747.12 28566.39 6471.2 709.98 12921.86 1188.74 11531.21 3822.21 10614.44 19411.37 3105.99 4202.81 599.71 2550.92 1258.84 1641.12 4161.95 4228.25 2376.36 9674.3 673.74 14330.35 9804.6 1597.43 10904.11 482.45 2141.56 1302.03 5112.19 6759.11 7026.11 5079.27 5294.85 5128.82 4869.8 4849.82 5188.96 4896.65 5221.61 4954.05 Sphingosine-1-phosphocholine 382255.45 491298.03 614024.73 533337.23 241961.89 458255.43 428957.28 305695.58 283610.46 468601.11 535806.13 278133.99 221491.64 475401.68 382341.02 473382.88 678077.41 429763.54 186804.72 183652.21 293849.53 293317.26 468629.7 369596.69 192560.21 455126.22 409641.07 383526.78 185527.67 1039128.02 193913.62 306746.11 683085.71 418698.93 563671.54 216724.44 635478.81 583300.32 652937.18 779052.25 544298.25 266880.99 529796.66 614766.4 241043.34 356546.91 48363.78 476893.79 210636.41 320874.56 344533.89 477265.95 391942.1 442098.09 454657.16 418721.02 636184.64 547048.11 464018.4 556039.24 485923.3 494815.03 422476.04 619880.21 648002.94 226011.06 258811.13 425504.25 426727.74 379337.1 563962.66 607281.31 627498.04 539367.09 508538.78 503686.46 503993.91 503582.17 499178.47 500997.05 490857.83 501859.83 514441.89 499203.73 Thrombin Receptor Activator for Peptide 5 (TRAP-5) 14719.78 7842.55 2548.73 2064.52 35606.57 689.79 4329.5 38703.15 39768.17 468.57 4502.46 5642.99 4295.83 2164.45 38468.38 8643.92 5404.4 13302.13 1930.17 71142.2 31480.17 487.66 12963.83 2493.81 14680.02 3412.76 3539.57 776.06 122870.87 2294.09 12408.65 2885.7 33761.78 15207.09 4230.72 41183.34 24804.34 1394.74 6183.5 1805.17 2994.03 35277.12 3111.01 2486.13 4976.1 6812.98 38959.73 36094.47 11739.97 6669.89 3374.46 2509.76 2552.42 12704.9 8997.81 6628.04 1138.07 2746.05 11541.91 547.3 2644.12 4399.45 15531.46 22783.74 15247.3 17022.76 7071.84 6956.52 6075.56 35098.48 16422.08 2035.43 16457.75 13363.44 9899.44 14570.64 15554.47 12831.3 14361.54 14650.68 12902.82 10904.02 13310.87 14871.68 5,7-Difluoro-1H-indole-2-carboxylic acid 944.89 43752.45 156420.14 2561213.97 494983.26 490158.47 1279293.98 983.48 106491.06 44170.12 235.72 2304.97 622688.79 104805.66 105821.23 73462.13 42321.76 1253.04 77656.69 64373.24 16143.88 63119.95 108979.09 94905.21 779.9 1332.32 62248.68 22495.11 1818.45 28960.15 145583.09 10654.43 78238.57 83234.89 98327.65 114326.82 81382.05 53220.39 8608.56 13478.33 169055.55 16642.94 67357.65 94357.47 126375.18 853151.43 99923.69 119140.89 1182.58 110676.23 10963.47 96066.28 17224.15 132831.01 1409.45 92767.12 167513.09 90096.8 13046.04 60878.03 45941.96 78794.51 99770.71 227.63 81001.13 10981.3 62674.93 3690.38 233.02 86796.54 73367.68 19070.06 43709 33585.4 251092.34 173135.13 139203.14 170613.64 170641.33 184266.71 172852.99 169103.29 177300.97 179992.12 9-Thiastearic Acid 370728.2 5337.14 28371.25 147301.54 678031.77 227979.49 139482.12 340790.37 713649.9 62808.87 158625.45 683778.88 290828.5 139666.73 182714.58 159485.5 11419.7 166249.02 160016.3 503958.9 514528.27 138422.36 29982.69 161250.93 414402.93 230745.4 169189.52 256430.86 252909.36 225273.86 70987.22 191264.39 75414.65 24843.16 33063.32 196003.78 156038.54 125216.25 7646.55 139295.66 288677.94 234470.93 46338.83 32521.49 267162.97 224772.07 405183.15 118869.14 152248.62 200108.06 286793.34 118998.74 39036.42 125759.36 203393.68 40121.18 39485.12 95219.8 66318.16 149884.37 21453.03 80606.19 118121.06 46480.4 35034.66 457938.19 189148.73 320240.83 251754.49 263269.71 205457.98 53252.33 149465.86 142399.45 135167.74 194861.67 186595.86 181882.27 187926.89 146376.51 179714.29 189951.76 181032.36 188442.86 Brexpiprazole 11739.28 24986.4 38808.35 26911.48 22854.95 7129.16 17570.58 6133.21 15917.75 24837.93 21215.43 1667.76 64733.58 20421.42 27299.06 22071.67 19813.84 6910.48 26298.8 2524.6 6127.7 1164.09 24381.92 22833.98 22064.57 16672.68 22891.81 17315.14 11977.66 7471.53 1984.47 17297.14 3368.82 34988.6 29884.2 13453.49 21370.47 12836.85 17216.35 25174.17 15379.29 15753.36 28648.63 22355.6 17194.37 7022.22 5140.02 13878.81 10834.26 27676.56 11063.93 13786.55 19643.48 56593.63 20701.45 33966.01 35202.11 37872.58 4579.42 12228.73 26772.17 14828.39 35708.3 41838.89 25194.32 20600.66 13459.35 12709.37 14950.4 17103.11 12590.99 11229.91 13277.08 77353.24 36391.2 20050.4 20057.39 20399.15 20404.72 20398.4 20031.6 20032.79 20432.62 20186.25 Paucin 55156.48 132611.9 36577.41 67766.1 160049.06 72733.28 29492.74 99840.06 121568.22 40146.28 35983.56 161844.41 207824.2 102844.34 119465.42 80301.42 51381.76 209778.97 175301.07 278491.87 156707.75 51623.75 24382.19 76818.87 58185.59 96249.47 22695.92 26947.04 81114.28 93404.31 306083.49 288423.71 20980.99 18017.91 37803.74 66680.54 40278.42 13394.89 3473.63 51279.01 317012.81 207720.24 44715.13 50959.99 140225.25 69070.19 104596.6 126805.48 42125.28 249363.45 20352.85 96319.28 31060.58 95994.01 97275.82 177019.01 44256.53 48289.67 33066.89 62212.46 38282.38 512.08 78073.85 39016.69 60486.39 157916.06 309529.76 48111.59 133907.34 57891.03 33606.22 40862.73 28108.1 76033.18 44314.56 102297.24 111107.21 104352.85 104917.83 99910.38 103986.43 102550.89 104371.39 102852.15 Ginsenoside Rh2 26597.52 37144.7 141063.85 59527.01 96140.74 106224.98 134791.88 37149.51 29681.38 37775.9 63423.14 50897.56 74544.75 56796.32 89702.16 151615.95 107764.03 60332.39 49546.6 45125.04 37431.22 34822.02 46446.15 51423.95 26601.42 43303.76 31025.82 52630.97 75910.62 55912.26 31158.51 40883.14 36418.15 44066.2 64391.28 38281.85 59102.09 46794.53 45229.03 60347.61 58120.4 28087.85 46784.78 79016.69 37389 78526.73 27264.76 15316.91 42657.8 88168.58 18595.1 37201.91 59878.17 80797.01 29690.41 52912.97 159061.95 130906.32 61347.23 48745.01 88479.44 78062.71 47683.34 84740.95 78310.24 74668.19 41167.61 57979.19 83165.12 70123.23 41905.21 35768.37 74947.99 132803.58 49059.61 60589.98 61353.52 66338.6 65900.62 65568.44 62419.94 60356.19 60588.18 61752.16 Arg-Lys-Arg-Ala-Arg-Lys-Glu 2047.77 3244.08 4150.31 2820.22 3792.44 12784.74 3126.71 4167.9 5476.34 3590.06 1786.4 4182.55 9831.73 9160.74 3149.86 8158.04 1227 1811.03 2545.46 5342.67 1341.06 4015.33 6289.76 3038.87 2392.11 3459.87 2808.85 1860.26 4823.71 2720.03 3742.73 19571.21 1657.68 1375.62 5112.04 7908.64 5112.36 2630.04 1203.6 2276.3 12666.69 7123.31 2777.74 442.43 12629.02 8922.33 5109.34 4929.95 3753.49 9415.72 6518.18 6735.74 1703.64 2557.92 2103.02 4098.71 1191.13 1046.49 2001.09 3803.76 537.49 1553.62 6147.69 6584.74 5998.47 2513.37 2266.78 2644.31 3960.64 3876.59 2010.07 4616.94 2445.71 5100.88 2567.9 2169.8 6084.11 5012.76 4998.07 5604.56 5093.21 5593.58 5239.85 5898.27 Rhodovibrin 14844.04 28451.46 51359.16 33958.23 31115.16 67608.91 47856.15 25775.51 4291.04 22904.43 42726.78 39312.48 45462.61 30765.44 40504.07 80745.84 44837.78 33575.32 36017.98 13456.49 24117.69 17576.54 34937.79 30479.18 15704 16656.58 26221.01 28182.77 20279.46 22000.35 17014.97 41143.58 18519.3 35895.2 37343.02 13866.13 18872.12 19110.39 29705.68 50912.15 15749.22 20973.23 41634.17 42253.31 23549.2 44999.78 27467.08 7357.16 29558.25 50823.92 11632.89 20445.12 34263.8 49442.42 21147.22 20726.35 53447.19 42629.22 21824 20427.58 56860.48 29671.38 21803.95 48065.43 39038.92 25255.68 25220.44 26212.3 26563.63 17119.81 23051.23 26565.52 47080.03 50554.84 37662.2 31929.36 33417.17 36736.73 35716.96 34526.41 34419.23 36036.02 34396.92 35599.33 Buxamine E 4147.4 7844.42 2836.3 5242.51 4006.52 4429.75 10742.72 1103.19 5365.96 3991.41 8829.42 10130.16 6768.06 4993.88 2411.24 5798.86 5728.02 2408.71 5923.23 4257.7 9734.58 4026.62 4995.5 4766.37 2308.06 2672.02 6123.15 5591.74 4107.78 9600.69 15850.69 1051.05 2316.74 3876.05 3659.43 622.23 21115.84 14216.42 6704.87 1622.05 15814.44 3908.11 428.96 4169.87 1770.79 7425.58 2269.87 1231.7 8805.85 9898.31 4508.62 2296.13 4219.89 2829.59 320.05 1529.51 3761.19 5314.23 4716.91 1649.95 2833.88 2303.17 2173.47 8039.9 5998.67 6525.97 12730.29 4106.07 3895.34 3357.22 18402.48 7922.77 59061.89 4319.92 7103.26 7958.04 7691.82 7962.17 7332.59 7954.89 7507.48 7648.44 8236.18 7716.51 Ganodermic acid TQ 27126.24 27015.65 15460.15 34620.31 31579.57 36848.93 8674.2 35368.84 24300.31 28184.63 19449.09 9099.92 40345.55 19368.08 23970.32 49404.66 27273.49 41217.89 44092.77 20174.84 55150.65 17362.87 29850.26 44669.31 10255.12 23804.33 21189.16 17109.26 37475.8 21204.86 20214.16 55360.31 9143.64 26869.51 17796.91 18289.91 4778.93 9835.34 13428.42 15733.98 15538.79 34352.73 33747.89 12395.42 26767.43 32733.13 32416.31 32677.82 23793.38 28679.71 59670.88 23319.49 16942.01 35654.29 29083.6 23653.19 13232.27 12098.12 12966.03 8508.31 15919.45 10643.64 21273.45 21014.96 10738.32 24921.25 64195.08 14675.21 25408.9 21912.38 15479.66 39940.24 22793.34 30660.22 26298 30618.79 30247.17 30386.67 31628.9 31558.63 33863.43 30219.35 25850.21 31707.98 4-tert-Butylcalix[4]arene 12027.67 10210.22 9229.6 19606.91 6334.47 10125.8 6111 35957.19 9564.35 9150.48 8564.97 12132.93 68678.31 12902.73 7013.07 4397.8 7657.56 7163.42 5709.57 7165.11 12888.47 1486.42 5030.58 12626.4 11041.49 20965.03 3760.9 16435.38 20698.68 20194.71 10722.19 9438.14 12822.21 25308.79 4468.71 15553.01 18505.84 4302.72 5530.18 15963.23 6817.93 3493.98 12114.09 11630.36 9485.08 25686.69 8352.06 5535.15 17488.02 5817.81 9128.23 21705.16 6177.02 1586.12 5445 4274.66 5773.9 19018.74 20016.22 10629.82 10193.68 18679.17 9024.78 10342.29 8656.82 11445.35 18078.74 17645.96 2916.21 18109.54 4804.81 15750.97 12755.89 9991.02 34782.34 13879.66 11982.2 14876.62 13929.2 12591.27 6753.95 13333.61 13848.93 12498.61 Thyroxine sulfate 33704.59 19368.42 11200.11 22887.87 34166.12 16684.9 10506.4 20600.82 33979.73 8978.63 11135.74 21510.8 22324.49 14535.73 12636.96 20567.62 8257.75 19343.81 1749.78 4262.65 24595.86 4815.11 22221.65 23061.65 30320.93 39460.73 10053.85 12821.21 26471.74 45459.22 17909.47 20064.93 30070.36 30147.2 45394 67560.14 34016.08 42638.54 23290.69 39179.57 20230.87 27276.02 57670.3 72462.34 36883.85 26058.08 15827.22 22377.12 19895.62 21456.98 39164.06 20619.91 22651.94 26765.96 7607.94 16811.65 17440.44 33851.93 63559.49 38373.22 47807.69 30026.84 19948.03 30243.26 39238.82 25478.5 24742.26 15671.79 10109.87 51454.82 47573.68 23181.54 26422.41 14603.33 6233.38 31576.68 33748.19 31304.1 31807.77 31082.06 28164.82 29790.45 31202.21 30020.69 Cucurbitacin I 81610.83 33992.66 141018.14 37257.19 294402.02 185070.85 55660.08 150904.6 259138.73 19760.55 29578.25 268338.83 168084.36 10716.08 76666.39 78920.63 39851.2 44219.1 43827.65 93645.69 203734.76 71041.96 134427.49 22490.46 123077.36 122891.01 76525.09 1797.23 101554.22 37574.22 182938.3 125060.77 119737.34 97083.43 56486.23 112143.73 79866.29 51720.47 42788.56 4212.23 144723.37 197772.28 71343.66 40153.33 183698.47 25816.86 147358.38 168640.06 82064.41 91080.22 189903.63 103396.02 104832.09 106810.28 193223.59 88182.76 99428.07 54750.84 82043.9 49252.5 29675.39 43760.31 105852.45 86757.48 30006.14 87445.22 72118.08 6501.88 12221.02 198660.93 127671.6 30991.37 25941.67 80224.35 43373.89 8910.24 16561.15 8737.63 9087.22 9148.08 9093.28 9190.11 8893.4 9165.22 8772.76 8063.11 8853.75 9282.88 9101.72 9498.54 6981.42 9262.43 8523.98 9344.22 9147.17 9519.54 9453.42 9143.03 9000.26 8926.59 94072.17 93648.4 99524.82 91736.13 90574.8 91715.52 85183.39 94416.81 95452.08 Glycochenodeoxycholate (1-) 90014.26 19221.23 15857.13 8070.63 307455.46 70841.59 109473.85 134045.37 88586.52 50942.38 29942.32 93933.4 67326.89 81228.84 68436.01 35553.84 13641.32 48118.73 180220.36 106292.45 257094.28 59554.8 189602.87 68220.33 242595.11 207094.58 143059.01 79047.87 92648.34 50629.77 69570.24 211819.93 72460.56 105608.24 16813.05 224976.17 66488.64 28739.92 32031.18 10440.97 49648.71 135327.78 36359.31 21224.67 253036.46 92661.96 228172.75 166536.28 92683.92 87817.23 96993.83 51962.26 53911.2 32422.7 95040.4 154090.63 27053.87 18773.11 83787.59 22440.52 41929.74 123290.66 164508.29 30316.96 25376.42 210487.6 62980.75 114560.63 43857.15 211782.26 135047.19 119182.64 47223.57 32360.81 38072.55 151771.28 148434.1 149340.81 149336.18 148421.92 148415.03 149334.04 145412.22 148463.18 11-Dehydrocorticosterone 9264.18 21483.51 29432.44 25831.89 20688.26 14412.66 32085.83 43799.44 39372.64 26175.29 33369.8 53565.16 78735.45 71004.33 26939.43 20605 22661.05 23454.56 32938.65 14940.72 36744.15 35724.62 46597.85 34701.25 29182.21 76262.33 22461.46 31855.45 31881.24 22531.97 33967.97 65443.5 29351.25 63818.5 41205.74 27206.13 24227.87 54699.49 28094.8 41727.26 45435.93 44697.84 50518.46 51720.72 25716.98 26475.87 12154.15 27700.41 43616.19 52354.3 11696.71 36397.64 64539.5 44416.04 28773.48 26417.71 19708.56 24892.7 17892.87 23841.68 21136.22 36937.37 27832.6 41245.75 28688.65 24753.9 23999.97 35887 45985.97 29940.23 27590.81 30398.47 55764.18 25120.85 32891.18 34721.43 34952.42 34636.03 34839.34 34365.33 35904.06 35080.52 31652.96 34682.04 Acobioside a 2224.34 4080.77 1986.43 4277.55 10449.35 327.44 815.06 8071.05 20428.89 19804.52 19711.76 2751.83 4229.53 3412.99 10525.69 6628.42 9677.49 2540.82 10306.48 35663.95 25838.34 1275.55 9640.44 7432.51 5388.82 55629.48 12294.73 25476.98 3133 13282.97 53090.76 12872.1 11884 4289.85 2508.51 9959.58 11965.39 7900.99 4391.72 9701.64 29547.97 25141.58 2781.75 9485.27 1092.85 2456.64 32461.13 10466.74 7741.94 18503.57 4234.28 9567.19 2453.94 5813.94 5052.09 38546.01 1367.13 1168.98 33877.08 7882.4 3678.37 10877.07 8682.36 3198.52 3560.89 1296.61 4670 4497.11 7434.84 23975.4 38525.65 3128.02 16449.1 2911.86 2798.18 12412.1 11096.28 16484.29 9070.37 12443.8 12129.38 12012.43 10162.24 12589.38 arjunglucoside I 11338.24 49012.61 1702.15 10524.59 9563.26 19594.74 14856.44 16005.95 7142.07 14541.14 5145.88 28934.15 12641.67 26341.04 85328.54 13845.65 19568.73 34838.64 33975.97 6123.8 26635.63 17153.87 2529.86 33830.19 17664.11 20503.47 75457.98 21153.35 21196.51 25779.04 37318.63 35213.91 19018.18 3416.37 12269.7 51662.4 117493.78 23410.03 28814.12 5687.76 22517.36 30426.86 21061.63 29546.4 91377.26 77262.43 86893.21 50530.13 28583.6 14652.53 44329.26 161957.19 51265.99 45932.23 56887.68 118074.46 4528.56 19511.59 79880.53 17353.03 4691.95 115974.48 27787.41 34865.34 48450.2 10293.47 21556.31 29723.65 17725.63 31332.43 60008.74 30920.9 14397.31 53861.69 3410.05 21910.95 30951.83 32574.8 38225.33 16636.14 22180.86 19535.12 28121.16 38206.15 Stanozolol 314227.1 180697.11 147408.2 155347.88 174155.77 210023.06 309446.69 200836.55 186862.71 134947.25 191017.55 380995.01 239150.88 162843.61 125750.6 207669.66 176020.58 212896.06 185800.77 212727.52 160548.06 231263.55 214574.46 146229.9 191763.17 154433.47 138128 123985.34 108940.56 105532.37 188409.23 143393.82 116607.19 152008.2 157909.69 191514.54 191317.97 199687.77 135585.19 125347.23 117694.93 477332.18 162356.11 206466.48 222579.4 167641.1 304052.11 163012.46 20182.4 244635.51 145302.4 154931.2 148096.13 171017.29 166475.97 148441.27 114039.99 83046.44 126191.63 85869.69 138760.59 165083.72 147674.55 114703.94 77623.6 223139.99 178560.66 217923.53 235675.69 187282.35 105544.38 288315.94 155850.09 122108.81 238571.54 2163.21 7438.42 10393.78 1852.03 8141.95 3331.7 26740.85 19251.51 6736.37 13650.17 7374.85 10962.92 20295.74 2640.28 10775.6 2325.27 1672.67 3407.28 5320.53 8507.17 6063.94 6860.38 6395.2 3513.85 179498.13 181193.81 181201.88 176670.21 183257.24 181214.98 176428.9 179383.44 181276.94 Uvaricin 5216.38 4719.05 2667.16 386.96 2394.95 5225.63 3854.64 3450.19 740.19 1721.29 1223.38 4399.63 1166.18 3487.58 4548.43 4293.44 245.74 3251.02 10392.57 404.59 2153.67 629.85 3977.88 527.98 4572.25 4114.64 2188.79 2779.04 9797.16 1084.89 3000.17 599.02 1219.29 1286.52 1968.15 4541.32 1705.45 3734.52 3830.68 5023.26 3447.76 4103.67 7480.88 12174.33 4538.28 3688.41 2515.97 3381.78 2132.19 8095.3 5395.08 8572.89 6128.79 337.54 3685.79 3887.87 4274.04 1069.25 4414.16 5283.3 8956.67 8692.36 13563.72 2418.94 3931.54 4585.22 3158.69 3722.1 3568.81 4265.28 4862.4 3181.6 2141.52 2657.47 9708.38 9018.11 8859.65 8385.02 5865.22 7884.83 7819.94 8287.84 8695.8 7749.61 FFA(17:1) 14494.8 9865.81 19081.47 20170.21 15728.29 30256.11 25008.7 8157.06 20050.33 8359.66 15383.9 22577.74 27830.66 10410.6 9249.25 15625.92 21772.01 10069.75 11847.51 15709.77 10398.75 27363.89 16985.73 12841.84 6149.2 16696.92 15495 15208.59 10163.66 31962.02 7634.2 35050.17 14737.1 22862.99 13381.78 8157.64 7004.9 18067.25 15182.06 14783.73 75917.24 12508.45 15089.46 12684.69 12901.79 29360.17 11145.76 23493.43 29517.37 28383.3 17153.12 16691.17 15504.69 34933.41 10646.64 14274.05 14972.59 8995.85 7155.71 15823.96 13224.17 15403.24 13230.93 16090.78 11147.77 14864.76 25497.24 20415.53 16855.71 8324.93 15938.72 26205.19 16362.02 28056.84 194267.25 20723.06 20361.33 21765.68 20933.76 20649.46 20975.22 20626.59 20943.11 20628.35 Estra-1,3,5(10),7-tetraene-3,17alpha-diol 5733.44 4431.94 5530.92 4203.62 5238.49 5536.09 1322.65 4406.14 4337.59 8373.56 5505.57 1879.38 1364.94 6114.02 9003.28 11456.44 4854.27 522.46 521.63 7905.76 4371.92 5751.51 9617.67 8722.88 4498.01 5489.41 4517.27 1178.48 10337.66 1048.93 10457.7 23415.84 4757.33 9054.94 7324.93 5788.82 4486.7 3466.16 7145.31 4419.74 5047.52 8289.04 6970.96 3575.58 7377.88 2835.47 9574.48 11073.07 12691.87 30919.62 6181.48 7330.43 1581.22 6084.71 1330.04 5702.97 4392.46 3079.66 2570.54 1884.36 5271.02 6396.64 3836 6543.72 7269.6 5510.75 9417.85 521.06 5894.82 1472.04 5308.1 7353.33 4131.53 8116.17 7580.68 5422.49 5386.98 5386.61 5219.12 5295.72 5206.24 5421.66 5324.72 5387.69 Lys-Gly-Asp-Ser 63162.87 17875.77 3847.95 2891.79 152114.54 11311.38 80746.25 65096.06 121552.25 5135.78 20661.29 220612.75 92592.75 35516.81 65157.49 61093.19 10525.16 54077.37 50089.65 53380.29 84165.9 3838.88 93056.04 9035.51 146303.51 42242.61 26718.64 12864.48 82076.29 52407.26 75019.38 127391.17 9871.48 49492.33 35409.88 49710.83 64056.75 1264.54 5345.96 46096.4 126992.66 203274.48 6796.51 13275.46 39232.76 44762.91 23054.35 97793.3 45706.48 134315.9 151053.75 19490.55 10440.9 73318.84 84668.45 6674.72 4561.93 3981.62 51478.8 2963.48 25169.38 794.21 16594.78 6046.91 31855.02 113965.47 45956.34 20452.73 20912.56 93738.41 47219.3 35304.92 32588.81 38451.51 15219.94 64713.5 64636.76 59601.2 63450.05 63417.22 68320.28 61761.58 64630.04 64660.84 17|A-Carboxy-17|A-formyloxy Dexamethasone 6999.63 10616.92 31331.05 16102.54 2048.53 2284.89 3540.79 8094.98 6948.75 11646.51 12628.99 4564.91 5154.02 7120.25 7219.08 8747.31 5442.13 1728.8 2120.37 7665.9 10618.48 4183.79 36877.12 14335.88 3544.63 7131.96 2872.63 1419.84 5544.21 2090.57 1281.55 7950.95 4245.65 14002.23 6958.14 2085.07 5733.3 8267.38 15759.25 19077.54 3560.35 8008.17 4739.09 10048.07 4109.74 7999 5298.14 6442 1473.99 9188.92 4421.7 1697.33 9273.24 13838.95 5168.83 5610.25 24602.17 11699.98 4170.72 1846.21 10832.86 7213.06 2252.86 10545.03 2255.85 4342.05 6615.15 5250.29 6496.19 6417.48 1737.74 8125.27 4091.85 1850.2 1552.73 4999.72 4998.95 4603.53 6076.66 4560.25 4627.52 5076.05 5012.61 4425.5 5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid 7132.64 28465.47 32960.18 16667.3 21635.58 70200.72 19552.96 8550.07 7758.17 22263.56 17998.49 28395.3 46000.68 24847.51 40059.93 29642.29 29153.59 12983.52 10957.63 9104.93 10748.01 55139.15 16558.09 18264.37 15270.72 14064.49 21143.69 9851.3 22772.52 2975.84 5938.84 20533.09 37536.69 44233.68 23862.76 11660.55 23640.22 30736.32 15517.49 13325.96 33932.09 13296.66 26927.8 38537.37 13094.88 34946.04 9854.73 23079.62 9207.4 22406.75 15880.95 28858.69 30157.65 47986.79 24729.71 104181.29 33988.28 78700.92 12272.69 55026.88 24805.09 30918.16 20318.43 36281.51 12907.91 53129.3 28942.7 32547.31 31406.14 11479.6 10883.38 7530.87 18180.4 27823.04 17023.52 29349.4 29415.55 29165.18 27816.67 27677.39 23123.14 27325.86 27417.48 28988.23 Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside] 21199.99 21074.25 11906.28 2071.46 30988.52 5336.76 7822.1 12225.88 15010.15 23665.85 22809.71 7640.34 12759.93 46857.63 1488.63 26757.8 9703.79 19667.23 22779.53 13176.07 11892.8 12161.59 19010.68 22927.54 34843.72 3433.37 33333.6 37411.21 53349.19 32323.39 11489.77 21485.94 12940.6 22255.73 19755.93 40738.46 19402.79 17142.78 45204.27 42137.34 21086.16 23589.62 31869.55 37651.04 14277.35 21055.89 22046.8 19197.98 18134.33 6633.85 75208.43 19147.31 42283.12 21283.14 30361.89 16503.15 31136.57 19033.12 42188.4 33082.01 54992.82 35258.57 18872.97 44452.47 20428.07 28438.95 19488.08 59748.63 41942.92 52747.68 29883.08 47938.71 45572.89 24380.22 33664.74 11655.95 9399.29 11799.22 9808.97 13040.94 7539.85 6041.39 33536.97 12868.89 4129.41 3060.23 4641.42 8888.99 21908.56 1854.92 15271.53 5672.57 12129.38 7692.75 4921.18 4329.84 4035.18 9477.63 7262.0 13882.45 29421.03 30225.65 29011.7 25719.43 28940.05 27359.23 27170.79 29572.26 27227.14 Benzamide 3208.91 3712.15 3793.1 3710.35 3301.51 2912.41 3266.7 3515.29 3855.06 2893.74 3255.94 1920.83 3046.26 3244.84 3834.93 3687.44 4503.7 3528.04 3578.25 4044.91 3355.85 1595.44 2739.83 3886.75 3396.92 3275.7 3626.55 3202.17 3882.03 2328.72 3492.09 3435.58 3717.65 1847.1 3824.27 2368.42 4045.63 4013.18 3849.25 4395.91 3243.33 2881.42 3769.71 3689.79 3291.9 3526.22 3861.11 3771.55 1088.33 2717.1 2537.03 3380.28 3714.68 741.91 4217.96 4093.58 3614.7 3942.76 4076.69 4419.7 3542.5 2482.82 3773.04 4008.57 5012.48 3603.87 4222.38 3028.15 3269.22 3441.94 3992.93 3482.94 4726.48 3797.59 3962.89 3610.32 3436.84 3564.3 3563.78 3563.5 3564.58 3554.02 3529.12 3554.93 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclopropyl-benzenesulfonamide 1513.23 1988.06 1342.68 1216.87 6087.38 4076.44 2354.38 1333.59 2578.77 366.12 1208.38 4208.46 2106.22 1207.28 2196.72 2996.05 887.99 2835.26 1482.72 2730.65 3092.85 3719.39 1974.88 1048.48 1394.49 366.64 1048.88 550.44 1659.51 451.13 3113.38 1156.24 960.46 2036.17 684.38 887.91 725.66 716.66 1311.49 767.7 1284.81 1056.04 1316.17 707.91 943.35 2301.68 3093.96 735.91 915.16 1212.64 550.74 669.97 332.26 1002.11 1023.15 657.77 915.46 817.57 1230.5 774.23 744.96 1523.31 684.57 621.24 966.46 2534.13 3364.24 698.58 898.32 759.91 1576.33 769.62 519.15 721.1 1194.94 1979.6 1932.97 1840.23 2073.35 1410.32 1852.99 1998.84 1894.45 1816.7 6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione 1166.96 4569.37 2307.24 1040.71 1234.15 3161.06 1452.38 768.18 2275.89 5084.63 2583.48 791.81 1063.73 406.86 2528.18 3744.12 1731.23 4008.83 1510.98 961.53 800.34 2468.68 1915.79 2746.25 3419.8 5133.35 3014.31 1992.07 2506.66 2177.56 1735.54 1880.38 1545.53 1636.37 2823.11 1906.27 3615.05 7355.32 3674 3939.12 3787.13 3221.34 3185.87 1255.81 4458.74 1562.19 1521.01 2082.46 777.92 1609.72 811.32 4616.39 2716.02 4657.08 2425.22 5164.45 1656.65 3239.92 4593.83 5876.03 2313.66 1600.58 1936.05 3656.79 1188.55 4936.8 682.55 1268.2 2641.04 2181.58 3186.16 2110.26 2365.78 1362.46 2455.94 3286.49 3231.92 4216.56 3731.31 3505.19 3245.79 2913.58 3636.19 3556.31 Olivacine 2670.83 1039.55 3643.51 5253.74 1733.18 3510.77 1991.92 1036.53 1000.06 2294.95 3636.2 1757.1 5742.08 2126.42 1100.46 6787.44 3343.37 10916.52 20492.72 14014.99 955.45 6049.48 3227.14 2179.48 805.89 2507.26 2895.09 3543.33 6220.78 4848.23 18392.17 15548.94 1846.55 2800.98 3351.74 2397.58 9557.02 2370.7 4016.43 2815.4 3145.12 3726.66 2930.62 1862.1 2549.53 1913.5 11595.56 8652.21 559.5 5650.34 532.04 1907.75 2346.04 3491.14 5513.94 1289.97 5840.82 4985.73 7698.11 542.28 4883.5 3923.04 2362.48 6953.59 9304.08 893.13 13682.49 537.44 2629.92 901.47 1087.85 3957 5199.75 3261.66 3469.55 1994.38 3194.71 2669.95 2212.08 2140.43 3382.88 2706.39 2911.19 2337.14 1-(2-Adamantyl)-3-butylthiourea 1662.97 7031.96 7413.47 6486.77 3524.28 4960.77 5391.22 5003.95 7909.2 8347.5 4765.54 4275.13 3819.99 8837.94 3358.87 2577.74 7413.95 7006.78 7354.23 3397.38 4309.11 10775.53 3725.98 4105.77 5969.33 5355.04 6639.66 11458.4 2621.24 5203.54 8754.83 5495.48 10118.33 2319.61 6262.44 6070.25 15372.45 14091.91 2114.2 16724.21 5100.17 4927.35 10249.47 9046.12 3352.56 545.53 5789.54 14370.95 2977.15 2170.11 7082.32 6952.42 5395.22 6902.74 2587.15 12173.74 10000.58 11723.56 7419.21 13283.59 5953.3 4988.1 5209.93 7330.11 16645.8 7748.29 3645.85 8104.81 6438.98 6487.86 13554.03 7620.88 6477.82 6032.62 8583.56 5690.39 4992.78 6428.71 5774.27 5519.43 5847 5351.15 5881.97 4040.2 Isotanshinone II 14451 19201.08 12415.81 18831.83 17664.7 7522.69 10020.28 6073.15 5145.69 14408.74 14062.09 7294.5 13048.54 30097.97 11249.54 9634.73 13739.31 1801.42 6330.24 7108.59 5316.71 12817.84 12710.13 16337.49 9668.79 2431.24 11059.91 13050.08 6847.86 2543.11 6528.14 6503.88 8817.5 3738.03 5477.01 10218.61 8661.8 10257.77 1971.36 3470.75 9739.08 34402.06 13174.41 7766.29 8641.78 7043.54 5431.74 15222.98 8777.99 5678.51 18293.95 6861.73 4012.67 10237.1 12066.36 15029.72 4917.41 1323.87 10525.73 8029.45 4854.52 3873.99 10830.09 5557.51 17162.53 9328.8 5364.33 11226.78 12713.68 4403.81 5460.25 7651.2 11447.13 11875.25 9804.04 12452.92 13100.33 12495.1 13610.55 12798.97 12867.42 12439.24 15032.7 12459.96 17alpha-Estradiol 1838.44 2202.82 2067.22 2821.27 3278.23 3082.61 1655.9 2911.29 2796.03 2958.65 3184.4 3166.35 2736.92 3044.25 2549.7 3400.26 13953.93 2783.31 3292.23 2472.32 3136.84 2838.82 3318.53 10264.55 3701.73 3032.41 3496.96 3405.96 3160.89 3077.26 3400.22 2223.64 3415.09 3097.72 13035.14 2777.68 3236.75 3371.46 2185.79 2879.7 3012.02 3275.55 2867.11 3173.33 3460.91 3320.79 3143.53 3406.39 3339.43 3248.89 3235.28 3306.88 3685.51 3436.6 3611.2 3022.3 2675.46 2605.63 3581.08 3168.05 11806.98 12845.14 11574.35 3282.57 3023.3 2997.8 2978.99 3399.57 3455.63 2104.59 3431.57 2997 2583.53 1941.85 2861.31 3314.96 3250.91 3315.93 3254.59 3380.35 3435.75 3310.13 3251.52 3254.31 6-[2,2-Bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid 18385.32 9785.17 44968.48 23439.66 144949.58 91974.11 39925.24 36394.35 39611.42 14683.24 17348.34 24981.61 27706.69 15770.33 52280.04 42453.46 86678.63 27820.47 74764.07 92839.45 30210.03 184118.2 202293.57 13799.5 23075.83 80584.62 17563.51 11336.56 74997.93 19211.98 51479.54 89600.74 50767.89 418238.76 26654.81 52380.23 23111.89 20091.96 13720.9 6855.34 51757.79 16013.08 11815.64 7205.94 58765.49 21151.18 43431.19 32921.7 33853.22 53695.32 30622.68 21076.3 32800.6 36411.63 57658.67 49044.88 68055.47 17116.12 40810.22 25753.16 26892.56 12870.01 13764.86 26752.33 33612.51 33211.23 21734.71 3790.1 28304.5 21232.36 43126.65 27405.34 19506.38 68799.34 25457.16 52855.9 51173.77 55601.87 52833.92 51038.18 52932.38 51750.62 51024.38 51210.79 Quadrigemine A 7821.94 853.37 13218.3 4179.75 8026.2 25726.68 10670.95 21902.36 8778.09 4441.38 7249.19 5352.46 806.98 367.16 8901.93 11782.4 24449.49 1862.99 14343.21 8605.68 17632.9 23708.02 13016.88 2854.62 10803.1 5275.71 7359.96 6775.64 32156.5 4023.33 6522.76 5819.43 23877.12 2493.32 26355.53 3193.37 15183.94 2359.08 3818.3 3213.48 4363.15 9914.42 8842.32 6952.04 8719.6 2694.92 56455.74 15425.74 9670.35 19293.39 1262.45 7029.48 5529.41 8621.15 7400.05 9063.58 5592.65 2267.36 5646.92 3583.45 2794.67 3012.23 17853.31 10650.69 2963.78 6714.41 2014.59 2423.05 5345.6 12465.09 13982.53 5607.42 1202.98 6106.4 6047.55 9988.16 11181.1 10219.64 11947.16 11310.98 10048.06 10592.63 10168.13 11340.09 Stearyl citrate 39192.61 16562.16 30623.14 31387.99 43770.55 30564.85 34135.64 19107.92 34990.5 21234.85 29593.93 56377.14 64882.04 18719.89 7579.49 25463.25 11590.74 3879.09 32448.35 15413.25 30326.34 30772.06 35700.62 20322.06 22191.57 21957.25 27786.31 4050.54 17698.14 7157.41 6088.97 45745.71 19284.85 25364.36 25042.78 20453.2 11165.75 3594.46 8776.06 8935.73 5143.31 40371.54 11659.54 20930.11 58455.25 39045.41 16638.58 35871.65 26752.57 31373.95 39021.14 12811.24 17131.13 18320.22 40451.1 38610.95 36289.68 10327.38 18123.7 24620.14 4270.34 13639.44 41246.2 12694.79 12086.38 29511.99 32211.69 20797.92 13611.21 34928.33 16595.08 9481.29 8678.89 25323.98 23895.23 23230.46 24409.98 27421.79 22813.9 25161.55 22552.45 23002.87 24654.51 17636.87 6,8-Difluoro-7-hydroxy-4-methylcoumarin 55200.1 26574.46 8823.02 6209.81 172628.35 24528.26 6249.42 89833.21 74950.7 42908.99 34690.91 7419.04 7878.84 7910.16 53049.63 15269.57 5460.1 40393.5 64823.84 58242.54 125838.25 27443.45 15017.04 28483.29 97098.91 34894.44 30254.02 27171.51 39332.74 4027.01 46640.52 21067.25 35075.09 12375.36 10134.66 37536.85 60205.63 15364.51 10974.32 5164.81 27373.14 74516.92 17390.09 10146.49 43446.76 5512.04 59780.18 80437.07 22132.52 16138.94 37846.94 79004.35 23532.98 11962.6 23355.29 24818.09 4500.56 3321.65 40037.1 13742.04 9883.77 3424.82 39130.92 8405.16 13901.59 61702.01 44616.95 4717.82 4587.05 65788.88 22968.59 33329.59 14769.67 7257.7 3911.2 43892.36 36147.14 39612.9 44521.23 37043.96 43268.63 44448.33 44091.77 52520.36 Dialifor 4349.41 4678.67 13244.33 12554.55 4771.76 3215.6 5246.98 3076.8 2785.45 900.6 5645.1 4143.84 1985.87 1569.96 1665.05 3115.78 3731.44 906.98 2080.32 2715.01 4934.18 16121.06 953.29 3610.38 2697.41 2800.79 1101.94 822.41 5114.58 9416.73 907.95 2501.19 3405.15 2291.52 1157.5 2174.87 1878.24 738.33 883.42 1181.07 1033.26 3240.21 719.88 1149.09 2236.63 4628.24 687.32 641.76 7181.82 2995.23 2233.2 2384.74 1644.5 2701.74 1602.87 2558.01 5200.71 8591.77 934.65 1082.75 1376.84 1796.62 609.09 1474.98 577.74 1088.52 2408.11 7065.72 1333.32 636.18 2371.94 1401.63 620.89 596.28 1641.18 2128.07 2125.81 2181.09 2185.85 2126.56 1849.65 2008.91 1963.01 1959.65 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol 83996.75 47409.94 83661.32 95271.14 45863.21 92490.57 61141.37 51836.88 62880.23 67539.71 99896.07 46997.49 11076.2 52781.63 49501.83 101902.92 57562.5 76833.23 34938.19 59399.21 44071.87 64429.23 91031.22 53657.95 48597.64 62769.7 71459.35 44469.75 44074.11 126762.22 65977.01 68225.3 61886.23 40208.87 116701.48 29409.26 78342.38 103614.69 89854.13 101305.6 79682.91 48950.7 75954.94 98718.12 39515.4 59162.74 48613.54 42187.07 49489.6 34235.27 43462.29 51716.87 79958.06 48936.27 37098.95 200745.75 77922.9 78119.49 59545.44 85152.87 81258.95 67976.22 23673.09 84289.92 61417.91 47927.29 71112.83 30526.1 30265.27 49924.59 85732.05 81233.86 127687.31 83583.7 35231.29 55320.25 58445.73 62513.59 62377.37 28953.2 60439.78 62365.21 65713.84 57423 Sulfaguanidine 2329.2 9717.7 2277.35 1359.29 3169.16 3023.03 436.6 1328.51 1741.93 641.25 1451.49 5694.39 11878.03 17282.75 4791.92 4549.3 3859.53 6207.87 6909.99 4971.45 2994.93 350.66 410.45 1294.07 1314.59 1895.37 673.92 2428.38 4867.99 1819.45 6384.63 26782.92 418.2 517.93 1950.2 2879.28 2737.93 754.03 323.73 1314.9 3472.01 2282.01 1150.82 4103.22 6448.91 3731.84 4498.77 4961.41 5674.54 23336.17 1915.04 4672.19 2100.47 3344.47 1896.78 4117.95 2202.41 1184.58 2007.99 1556.29 733.03 676.26 2445.19 1389.26 4941.31 4051.27 11736.64 1014.89 3231.83 2034.2 377.43 1220.92 912.42 1012.94 439.18 4104.28 4275.11 3595.48 3948.1 3652.61 4005.36 2466.44 3700.72 4047.6 trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide 123517.36 128002.44 155511.01 135960.04 160995.14 74151.28 101929.41 102008.18 170418.98 186884.24 145136.87 150140.11 141283.89 33610.61 55569.19 80574.85 84204.92 50926.78 110637.31 30577.81 99726.6 60810.71 119378.77 123225.73 101698.34 140854.98 108388.54 111640.72 85857.83 57282.45 27775.93 43823.25 53138.25 65312.58 39193.33 13650.23 55697.77 44184.44 43306.4 53030.36 57947.31 41514.56 50469.39 71397.15 78571.53 90530.83 42242.04 59279.72 60468.74 50922.43 56584.71 50391.02 43782.19 58222.67 115645 36718.49 111985.77 58513.58 46939.4 25873.87 46342.44 64150.24 59439.77 56351.22 43794 45508.7 46000.01 72144.55 67460.82 56415.82 35566.72 38200.41 97227.81 93467.63 53894.21 59277.5 62132.5 59372.79 57296.41 57203.43 57034.16 57319.06 48738.45 60052.19 Goyaglycoside g 9967.54 16699.67 12439.08 11913.68 19112.06 12940.78 13303.02 6622.41 10655.19 7318.98 29291.95 32968.3 14512.63 7233.92 9491.49 13539.94 15081.49 22597.59 14425.97 8090.15 9456.51 3175.82 11544.04 19556.39 5253.71 6881.33 5595.87 10045.51 4172.27 8433.93 15380.55 7235.68 8997.91 7504.31 7843.39 22384.36 7841.01 6592.34 18626.24 8992.84 27226.75 2263.46 12193.74 16138.05 11282.9 15713.15 9451.62 18422.04 4205.74 22323.9 3765.71 25939.23 13065.51 21107.77 10465.42 5246.1 7221.48 11871.58 14627 3238.02 9973.65 10902.51 8433.46 772.82 13796.61 7329.95 14351.05 12844.05 36781.42 9453.21 7261.87 31465.33 11612.99 2234.83 3679.37 17455.35 19175.27 20120.98 15446.63 17132.42 17681.53 17897.01 22554.39 20718.16 Fluoxymesterone 62267.09 19762.07 10256.65 18923.64 62339.9 68682.78 4150.18 144250.31 9797.81 63436.39 17152.4 119245.78 33875.35 131200.49 132493.74 53495.2 22731.28 106985.19 200195.83 34742.43 51258.4 56253.69 90948.56 54809.9 154008.16 86947.56 31463.59 98595.3 167764.82 162234.59 204110.8 178300.97 64657.05 60630.66 90876.56 80234.4 109770.31 17857.35 34385.68 109719.17 37115.06 126382.97 144713.5 103067.31 67116.84 74082.19 147693.45 151739.38 93788.11 83000.08 23760.31 100786.36 122265.6 113542.43 92086.93 60624.07 33462.27 99328.48 57022.17 82687.57 88372.95 54131.25 110211.52 99966.15 35831.77 144639.53 158669.86 31327.8 152180.36 101360.9 99314.93 131346.76 81625.77 167572.98 69126.84 134532.9 133615.35 134092.75 137542.51 133628.05 134589.93 131654.91 134610.75 133621.61 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine 18288.69 48924.29 10698.53 10262.87 61928.18 59176.23 33630.59 62722.59 74940.33 47236.09 44591.08 55869.99 65237.1 38013.15 51880.9 26877.22 7169.29 36990.1 84155.46 9935.6 76226.3 24709.98 43317 37403.98 63625.97 36974.42 32407.96 31271.71 60510.62 17202.95 53100.24 12334.79 65130.69 16981.54 31840.48 60445.43 36594.91 67746.43 21354.63 6782.11 65677.6 73777.86 67922.22 16309.81 60176.94 4552.23 87648.52 46037.05 37282.7 22728.45 39749.87 60782.14 34830.98 28807.03 45857.44 28359.58 12581.06 28563.14 78511.77 57283.4 10682.77 11859.11 29305.28 26254.39 22401.32 158411.57 59115.36 21304.57 20318.59 81906.48 35099.15 29305.51 23405.42 42428.7 26214.6 42356.38 40903.14 45261.53 46598.55 53967.64 46615.44 43241.32 46363.86 44453.18 1-Phenyl-3-(pyridin-2-ylmethyl)thiourea 1991.07 4756.81 8403.85 2854.36 1829.59 3856.06 2383.48 1482.59 1199.51 2407.85 1138.05 635.26 2287.49 1298.69 5061.09 2800.06 2069.2 3928.9 1344.93 2174.62 1276.01 2636.58 2040.6 3075.45 1482.76 783.33 6983.44 1951.09 548.38 538.35 678.68 455.75 1911.54 4192.31 4154.83 480.02 1919.17 2121.65 2790.34 4682.21 951.67 675.44 2349.81 887.62 841.94 1965.09 1140.64 441.33 1732.25 988.78 1015.89 2256.45 4014.17 3024.99 3733.08 2554.95 10794.29 6175.47 1360.03 2869.2 4089.86 1562.74 5128.72 5418.37 1424.26 2438.86 975.95 2205.46 2324.64 2398.76 1517.19 1612.33 5207.73 4838.38 3791.8 3322.89 3274.7 2020.34 3243.32 3221.97 3091.62 3141.6 3116.77 2671.94 5-(2-Fluorophenyl)furan-2-carboxylic acid 5025.66 9429.25 7207.16 9372.71 12020.34 16765.66 15648.51 5543.18 7719.35 3299 7385.3 7899.75 9540.85 4399.4 11850.74 9249.25 8767.83 8718.33 4214.22 10556.68 16252.07 4053.1 3732.78 4949.81 4423.38 5274.72 3090.08 1972.79 1435.09 5995.21 3904.55 899.23 756.68 2759.27 877.18 798.15 4086.88 3480.78 2963.29 661.72 992.61 2171.38 1384.34 2475.21 2943.73 12532.3 4638.23 1725.61 857.86 585.59 1821.07 2183.65 849.39 7714.13 1766.5 2557.56 4725.62 2656.33 3770.07 3195.56 1253.89 1157.75 2949.17 1856.64 2192.41 2582.4 7535.27 2378.55 3560.29 2211.73 4048.12 1959.63 1788.8 3003.82 16590.63 3395.17 3370.61 3234.47 3210.58 3341.5 3150.27 3209.62 3631.53 3547.66 Vinaginsenoside R11 12646.9 12271.91 102830.36 37037.78 40136.75 75987.64 12488.84 19821.18 15587.07 9699.57 6811 14444.59 35651.13 6537.68 14557.31 57246.69 10109.96 16560.6 45160.35 31914.62 27026.14 45805.32 35373.85 30834.32 32980.79 23703.74 7595.8 38243.13 41145.97 8165.75 14337.85 17857.37 99705.46 30502.33 54673.86 8410.68 2755.18 27239.02 2694.74 59416.73 6135.4 19913.67 18748.14 23603.05 19237.38 13188.05 62906.85 67756.94 27174.26 36121.19 7416.97 36398.99 66816.78 48484.11 8335.4 20481.88 10424.94 37544.06 20498.14 21838.62 17348.28 25077.71 17244.4 16600.35 21298.74 10409.62 18683.69 35303.65 25002.63 14927.38 26866.22 15635.79 13106.75 36179.01 12709.73 33685.82 35526.81 29440.57 33885.46 33680.28 40511.19 36226.55 32272.14 36490.6 1-Methylimidazolidine-2-thione 16751.03 6526.74 25255.66 24825.78 1546.37 5496.61 7919.29 6605.65 10423.44 1850.37 16783.99 4235.44 8701.65 20371.99 1428.83 3619.89 10438.32 2275.33 6616.21 584.59 15076.99 4821.41 14343.16 14647.44 3066.25 845.01 9597.52 18547.55 8479.01 999.29 988 8197.8 6378.4 15030.4 15651.1 7027.93 13045.22 9509.89 42600.89 5820.86 5434.01 1091.32 7727.79 21152.69 3802.54 36201.25 482.52 7606.34 11708.64 10785.63 24890.01 20593.75 15323.3 18511.11 15002.42 6082.27 13131.93 9155.24 5422.81 1897.87 12400.08 14222.38 22509.15 7233.93 762.15 11204.26 3778.59 4124.05 12234.08 8498.35 5400.19 1398.99 34205.49 15044.15 19922.81 10220.55 8438.14 8385.69 6644.23 8432.51 9241.49 9174.66 9082.82 9346.7 4-Guanidinobutanal 1330.17 2288.82 4817.45 3662.07 1301.42 1809.2 3279.96 2000.02 587.08 497.92 2375.65 1152.01 470.15 1050.91 1393.86 3424.02 2134.42 2871.36 1675.25 2352.88 1236.24 477.71 2326.37 3006.96 1382.18 1520.02 2294.7 3735.27 4185.33 708.09 1436.63 1048.79 2423.14 3253.29 5520.02 1155.5 3542.76 2228.92 4173.4 3562.33 2113.03 1772.41 5759.05 3126.45 1771.14 7853.55 2086.26 2759.24 7866.79 1369.22 1223.55 2253.65 3723.48 3298.31 853.64 2025.25 785.59 3606.78 1178.02 2069.04 3460.1 3026.46 6391.8 6348.82 6786.71 1155.93 1753.84 4957.1 4226.87 2282.01 4095.12 496.84 4619.72 6308.4 9643.96 3199.36 3056.16 1458.53 2561.68 2485.51 2500.77 2731.99 2711.48 2418.53 7-O-(Triethylsilyl)-10-deacetyl Baccatin III 2593.89 2688.79 5690.15 10200.04 2140.04 6069.16 5353.52 1766.5 4458.84 3967.18 714.79 2043.47 6218.21 1010.46 4509.08 1036.44 2233.47 1417.9 4975.44 15554.34 3052.46 4613.7 5210.29 4082.62 517.72 2483.04 1024.13 870.14 4332.23 2333.38 15388.72 6375.76 2946.12 2290.45 3930.78 4835.14 2133.81 3261.07 2818.1 2000.27 7166.79 1987.16 5083.19 1020.41 9735.79 6973.64 7753.26 2384.49 2121.43 5391.33 701.26 1328.55 6501.51 3882.45 1942.68 2220.68 2735.79 7331.22 2792.74 3471.75 1817.09 1212.24 3035.89 1390.57 1958.33 2180.38 3348.38 1771.45 2106.43 4512.93 409.75 5702.06 4251.93 7323.32 4941.25 5091.62 5781.88 5102.05 5176.08 5084.51 4995.33 5004.47 5064.08 5328.75 1,6-Pyrenedione 189.75 471.17 938.33 184.08 782.61 1873.72 154.88 1901.23 4205.96 261.74 149.46 588.42 127.11 92.74 1441.27 670.48 429.38 2844.97 367.24 21173.45 532.64 446.81 139.45 293.63 1358.81 2407.25 123.07 121.19 161.88 2984.23 601.3 242.42 265.45 86.89 153.9 205.39 1694.79 390.42 136.38 175.77 3443.21 289.99 668.54 171.36 364.73 180.69 923.86 503.08 155.75 257.07 626.25 186.96 100.05 292.3 138.34 376.08 251.17 96.34 548.4 238.66 159.39 89.02 104.69 370.27 437.01 262.62 720.29 153.27 406.16 1501.69 3654.39 303.03 201.24 367.23 491.63 2177.65 2202.36 2176.72 2195.76 2156.17 2185.53 2209.46 2203.26 2190.32 Cycloastradiol 1749.37 909.39 2698.65 8860.65 2871.6 1313.92 2853.03 3275.89 3391.7 2083.69 3925.96 6611.98 4666.61 2904.85 1942.14 10230.24 1515.77 1258.73 19155.43 4391.64 3117.56 6943.96 3715.05 4544.03 2405.41 2602.56 2211.21 4512.91 12275.44 5870.95 1555.28 8659.99 841.42 5576.49 2497.3 2549.53 1107.16 872.14 2726.86 3453.69 914.33 2427.79 8680.04 2611.25 3503.37 12665.04 4834.48 9060.13 15811.48 4600.36 1821.03 1146.46 3056.92 4580.55 862.85 1700.89 3460.92 1696.03 659.02 1677.34 1824.8 1728.93 1915.55 5340.19 5842.55 3560.11 2397.34 4729.01 3578.52 2123.21 3227.3 4874.23 8511.34 5400.17 6662.69 4844.58 4542.46 4820.46 4908.46 3742.44 4558.83 4790.06 4105.17 5820.2 1-[(4-Tert-butylphenyl)sulfonyl]piperazine 130703.36 40183.78 39758.52 37757.09 67762.66 19115.03 40462.92 81831.25 109811.43 28774.04 38688.52 65164.23 102218.11 73495.49 54401.58 51060.21 32010.01 108238.01 112365.07 170384.3 123839.45 18676.82 45992.78 89347.52 95439.19 64894.54 34491.09 35348.41 100188.79 60331.87 158498.74 183399.78 64865.99 20436.19 29180.62 67652.9 100926.77 27701.68 26114.78 32309.6 134261.8 259759 49270.29 52714.25 128471.76 70055.63 111367.48 70383.44 75089.59 97111.58 54319.39 21641.25 34677.08 85223.65 50891.16 29914.7 25327.1 35330.51 223194.86 14233.12 25627.37 19416.85 61139.02 21515.75 55878.48 82987.95 56494.27 63825.1 110311.39 118472.91 270710.65 28939.38 44597.52 36587.27 22755.33 59436.72 61097 66005.4 64094.93 59517.68 60569.67 63806.83 60951.81 63831.54 Vicenistatin 3524.4 1852.56 786.56 1449.62 8773.55 956.03 840.21 2698.8 670.98 1517.44 1771.71 8188.73 3259.64 401.26 3968.27 3312.22 634.97 4112.99 3248.28 2189.57 2672.81 1566.35 2696.18 1019.12 4384.75 4874.51 3320.44 3325.8 4370.18 1237.62 2736.26 5209.24 1315.01 2420.45 2738.17 11317.63 3842.34 2115.61 1930.44 1213.73 5774.88 6390.9 951.42 2063.77 5321.59 4484.33 5403.91 5465.88 2190.82 4893.64 2444.71 2834.65 1904.63 2617.63 2937.28 4159.58 1636.84 2016.93 2013.69 2071.74 513.52 1936.44 3334.84 2238.21 1806.31 4655.62 1129.84 2932.97 3171.76 5615.99 2236.35 2046.78 4378.36 1376.31 949.64 3875.11 3577.74 4122.17 3688.42 3748.56 3823.91 3896.63 2935.33 3840.5 3-Butyl-2-thioxoimidazolidin-4-one 11415.22 12379.08 13055.24 10064.3 21715.65 32979.17 16702.38 19545.29 43219.96 21288.88 14992.97 27764.28 17781.53 26516.8 33371.82 10396.09 12007.6 13638.47 29299.43 11368.54 17749.1 19308.39 17530.31 14276.42 22628.61 24280.55 22799.17 27543.93 24182.76 3158.06 13718.3 23719.75 8813.55 10618.84 16362.63 16845.66 18186.37 29539.8 13161.64 11949.06 11059.41 16263.23 12446.12 10460.58 12729.31 10311.16 33352.05 34546.06 8084.57 23685.2 13669.51 14130.66 16884.56 12221.34 8600.15 20165.22 4502.25 10256.93 14723.81 9191.89 7865.68 22405.68 12885 7957.86 16300.11 17937.77 10765.78 31628.52 14442.18 22951.36 18237.01 15138.55 12729.54 16285.65 10349.95 16552.94 16537.58 16601.21 17731.36 18569.86 18063.42 19597.66 16793.56 16813.68 PGF3α 87207.15 112977.07 115223.14 94040.29 143817.92 140528.29 379951.09 113677.74 177218.93 90629.83 94676.76 164633.31 137479.87 99352.78 99633.2 140189.35 111821.45 126058.23 127990.66 149031.51 117087.13 113758.86 92587.15 116946.34 137058.79 116165.4 75720.88 81343.93 107813.5 139294.62 201398.86 205161.56 13377.46 143379.13 85088.09 90559.13 84108.09 26503.75 66240.28 92147.05 144707.71 171155.93 105493.05 76366.08 155516.58 74842.53 138381.72 146948.54 98304.24 184330.67 30678.79 75711.65 83648.09 106178.07 180029.35 93799.85 121198.37 97884.53 68290.97 108626.86 89401.93 147711.64 117611.37 108469.47 98299.68 142147.52 118881.34 72594.55 111816.35 106674.69 20630.99 119016.29 88752.39 111990.69 110968.12 136576.83 130385.57 133606.2 133930.31 125904.59 131829.51 133553.72 130149.79 138989.06 Bacterioruberin 22156.64 21912.6 2545.28 589.78 11065.38 63229.95 7356.25 13323.95 50318.82 7445.88 1245.2 73713.59 6086.14 3392.01 25980.92 8725.47 5688.55 6470.43 2085.53 9066.05 26389.76 33522.49 5651.09 2793.48 28791.83 50291.27 4105.09 9998.08 19579.59 35300.35 59157.8 28414.89 39484.6 2422.12 1900.29 13366.81 8748.27 58300.01 1915.23 4537.56 16125.13 31910.83 3060.4 3017.29 53303.14 8984.05 11289.28 11972.49 675.99 3519.55 9948.56 13922.15 1802.18 1915.25 25642.29 18284.82 2832.63 1512.05 25374.43 19596.34 754.17 1880.55 14842.36 861.29 6310.16 12799.81 79897.15 889.34 843.86 39287.78 35427.99 1859.59 6045.12 8025.61 5310.56 15368.76 15153.76 14026.57 15045.25 14487.18 15040.17 14756.14 14104.5 11684.4 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol 6287.67 16157.74 10587.77 26483.68 18630.28 16453.6 28110.52 21470.45 18728.83 23449.28 45485.46 19946.71 5429.93 11321.46 27348.02 28563.99 21104.75 60679.94 16855.15 15764.81 19716.02 8039.93 6591.16 13735.96 51670.89 26255.2 40477.68 13404.83 18785.81 19677.53 16217.93 20124.13 25393.55 1722.87 9479.92 47830.12 38746.57 17869.42 4251.43 22879.87 33425.36 26161.11 8705.47 22356.2 9882.9 3123.25 25470.62 15295.9 6155.59 10785.03 22330.29 17139.92 8704.67 9096.53 16252.01 26680.56 12095.84 14965.8 63451.18 41079.19 17757.12 6677.96 18883.11 42685.86 33965.04 16010.7 16885.63 11581.2 55188.59 60796.69 29001.15 20468.01 6887.71 19179.62 35377.4 22459.09 20069.64 22653.33 25910.82 20907.51 22696.13 17137.69 21166.22 21114.23 12-Hydroxy-6-epi-albrassitriol 13052.84 13375.66 17248.65 16871.41 35329.52 24158.62 13570.34 22437.47 15890.24 16350.73 25279.02 28312.84 31137.75 19917.3 19166.21 25491.54 17057.11 25926.73 50236.86 12652.25 21301.73 6806.22 35419.7 37140.06 25335.2 19866.53 25046.86 26188.67 9403.25 16081.67 4881.19 31239.63 10489.37 34786.25 18109.79 18156.16 12793 10428.07 36973.71 13684.08 21216.89 16558.9 18420.8 11340.22 21461.26 4477.52 11863.07 20211.85 28034.68 24750.55 22562.25 6689.58 30085.52 30581.2 22321.05 9359.09 10564.91 12661.36 22509.37 17973.05 15169.07 16949.09 19200.35 19813.64 15948.88 20093.57 12235.07 35413.01 45658.08 15010.46 10149.92 24446.25 14531.9 16510.79 21582.15 21100.6 23513.37 22913.17 23473.78 24209.18 27040.77 23032.62 24091.73 23366.92 Agrimol F 43853.23 637.53 2171.97 2094.14 20490.21 2165.88 1207.59 55427.56 89962.19 12272.08 2602.4 13043.57 405.93 503.85 25202.48 12431.9 2353.83 37991.19 1563.76 117429.59 48462.58 1051.38 1521.86 2170.94 38373.11 14306.64 388.03 8339.35 36052.19 13331.49 44592.73 3875.09 13332.56 1276.87 611.02 45340.56 3612.23 3794.4 524.83 521.68 43111.16 18611.55 3180.57 1942.75 8241.48 460.29 56015.83 7097.08 20305.45 11147.68 7654.23 2754.63 1899.63 453.89 4160.49 1532.96 312.07 1645.63 15775.18 2105.02 2275.12 1234.47 2231.56 2611.39 16557.25 4538.78 24076.42 2978.22 9069.06 22641.1 50839.1 7143.21 3393.39 746.51 392.47 10033.33 9239.86 8889.1 9505.59 9875.78 9797.37 9803.58 7853.75 9634.24 Goyaglycoside h 51694.53 47545.35 27715.67 10127.89 62746.16 67359.63 2731.53 61030.86 67947.62 32753.36 5747.12 80755.93 83953.17 73673.37 30174.8 36663.98 24404.69 61004.16 32921.21 40859.92 149100.6 56001.48 21354.6 21123.57 31345.66 55104.26 26239.69 35814.07 5594.15 9467.04 43923.06 11275.81 35273.04 41186.56 7634.29 15000.92 10966.05 59578.9 14966.53 47555.64 32270.96 114578.07 21262.66 16768.74 15942.36 16479.8 51349.59 45022.17 3268.19 27862.38 59913.73 23676.7 25257.46 30282.14 18904.57 47770.52 34809.97 40919.82 25227.7 15979.24 42373.27 22760.54 66224.54 21874.56 41474.98 58238.18 60964.73 44054.96 50934.63 25561.88 28750.79 41337.25 65665 35582.02 24694.93 27283.35 36424.13 32855.85 33273.43 37002.94 36644.43 24636.9 34063.95 36419.64 Chlamydospordiol 7126.74 6691.88 6963.02 2089.81 6044.62 5168.39 2262.98 6604.98 20353.41 5801.14 3367.74 4409.49 7083.76 8326.47 7974.01 8840.89 4536.66 3503.57 4965.61 12063.69 8956.83 11971.93 7318.18 6053.28 9338.91 6183.31 1897.39 8044.25 11214.56 2413.1 8756.58 7838.72 5973.26 5428.33 7212.6 8788.06 2656.05 4989.68 4655.06 4329.37 6043.2 12027.46 7728.91 4049.44 9839.52 7657.65 7134.6 9260.83 2391.21 7806.97 7699.44 5883.2 4056.27 7523.42 3937.13 8219.64 2504.56 4838.93 4337.75 5220.05 4414.16 3792.14 3476.83 2673.92 4227.03 7152.4 6414.94 5355.98 3467.83 14161.74 4027.77 4721.88 2479.38 3402.43 5857.27 7122.66 6984.65 7315.62 7149 7153.35 6982.69 7109.94 7125.66 7014.75 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 763.59 7378.23 2861.29 1274.62 1682.96 17381.44 6623.67 7404.16 12188.64 2469.47 4248.69 1680.25 2551.95 9241.3 2025.83 5696.61 9269.43 1050.72 17007.43 11725.75 4615.97 5204.74 3474.61 18646.27 1651.96 6404.65 17793.51 5090.08 7295.09 3554.55 4475.44 9654.09 969.36 1751.38 2820.7 7531.65 4929.29 3972.05 6444.19 1951.26 5609.57 3207.27 5390.69 3109.98 2719.77 3443.46 5027.98 8561.16 9904.3 4951.45 4170.59 3953.68 2983.4 6480.37 6946.13 1796.88 2309.26 4538.76 5001.14 1035.68 2019.66 2215.62 7023.98 8144.45 14905.83 1804.92 1186.47 9414.2 4167.37 8954.93 7169.05 587.13 11966.95 6259.04 6471.74 1380.26 41345.76 38240.65 51621.18 49575.39 21164.94 28335.01 15091.78 15114.92 23039.84 45009.96 15747.8 49483.01 39706.52 56129.55 28347.63 50801.92 42430.75 46817.21 40816.79 43708.65 42360.69 37152.96 42131.49 60110.46 9157.24 7490.95 6758.08 7769.73 7835.85 7705.99 7944.22 4532.05 7971.6 Ala-Arg-Gly 74327.34 25506.03 554.14 6810.6 25159.9 5038.1 2291.3 17490.83 27293.46 3995.79 14682.39 4198.69 30949.44 13937.66 60700.99 31895.56 5247.85 8145.65 41628.8 95888.09 48339.73 12989.95 1710.39 34490.93 17912.26 32155.87 16441.44 39318.44 71534.46 44823.76 95372.49 211091.69 23359.97 8224.41 4872.25 19376.3 15568.99 8700.18 4426.69 2468.94 73451.42 92753.37 8777.27 11619.68 41903.95 20197.62 62445.23 20232.66 53468.38 78435.94 84005.05 39220.6 13770.2 11816.66 11314.69 30673.77 1216.62 925.16 17779.78 9204.93 1270.52 8493.65 25002.32 3112.62 9392.85 42957.86 65685.56 3170.08 7261.83 19769.9 27831.56 13573.96 9943.05 16581.55 5509.23 29886.3 30658.38 25632.48 29970.58 30884.02 33331.29 22088.64 17421.6 27849.7 N-ethyl-2-formylhydrazinecarbothioamide 4001.77 1512.56 2492.55 9160.84 4970.46 1787.29 14685.67 2091.96 4600.83 1499.98 2650.25 4390.31 49879.99 5205.95 1558.1 3206.47 2022.6 524.25 944.16 665.56 12859.23 2363.94 3504.52 2934.77 2203.31 1476.99 1788.88 3153.97 1679.55 1875.6 715.48 2140.55 436.61 9621.5 1365.18 575.08 2068.82 771.74 5470.51 3930.82 8665.4 7610.56 939.69 14724.79 916.12 26060.05 542.07 2338.71 4218.09 5135.26 5101.96 7016.26 2188.11 12884.16 6593.39 996.74 2230.92 342.54 1052.54 6343.97 1154.15 7524.49 6581.84 2540.45 746.91 6546.78 9839.7 1966.42 2399.58 3176.42 538.84 835.86 687.98 2995.18 14710.57 4947.96 5403.25 5025.93 5590.23 5088.08 5140.64 5497.34 5374.02 5319.02 Streptothricin F 13154.12 6839.79 5015.37 2637.32 18943.12 6283.41 4422.78 7164.16 5836.38 5118.53 6241.89 13362.89 7805.39 7448.64 9196.38 18082.51 2077.12 8422.5 25335.89 19032.51 7489.45 3525.05 21185.2 8708.33 10210.85 8112.95 7683.29 3595.7 18520.99 3766.96 13829.22 10287.11 6526.68 3763.66 3074.16 12089.75 6720.55 4554.33 4034.23 3472.39 22328.16 2990.61 3459.15 915.8 3859.8 3818.39 11392.11 7859.11 7693.31 10745.99 9171.16 16937.29 4720.45 8564.35 8886.35 4225.46 2960.44 2211.17 6371.05 3692.92 1386.8 3717.79 4722.74 3097.72 3862.83 6994.84 8916.43 4679.8 342.93 4180.41 1774.23 6428.42 7556.43 3854.93 2088.31 3220.69 11661.04 9228.15 11041.05 8691.92 10117.73 7847.31 8914.3 12103.75 Batrachotoxin 93334.22 87357.5 348865.91 108120.93 220642.63 600529.19 149483.99 101439 102183.74 80479.99 121527.92 181087.18 161701.53 110997.8 60539 231500.25 160288.49 70115.63 193476.26 150997.98 109578.86 239056.83 594374.19 116502.71 61733.69 201655.43 123978.82 124725.41 101765.69 115168.94 135136.01 214238.69 105600.03 468327.95 131542.89 50135.54 48547.7 704285.95 103082.98 83901.24 69882.79 97378.83 99381.94 134541.32 81814.03 87488.71 89584.3 155788.65 181331.44 235140.45 136078.12 95142.17 183734.5 215294.06 142603.87 113120.3 153176.26 102933.73 33316.39 128158.83 138860.22 392650.11 76351.99 130715.93 143311.63 98933.8 146692.72 140249.6 132560.46 79569.44 96251.61 114582.74 116304.26 218329.5 127095.85 163338.61 160538.78 161478.57 164213.79 158274.74 164314.05 166497.55 164128.93 161467.39 1-butyl-3-methyl-1H-imidazol-3-ium 19904.22 18678.61 17039.52 15596.3 16882.58 16575.56 15543.07 18919.86 17745.8 22376.35 19827.6 19705.27 20147.97 22974.36 18631.4 17887.31 19178.42 22486.18 22572.66 16580.2 17632.72 18729.53 25823.69 22264.15 20758.34 20685.98 23388.16 23011.62 17955.42 16344.19 15659.13 16706.18 17412.31 18847.45 18242.66 19214.76 18361.36 17742.18 18987.72 21010.88 16717.01 16659.6 18998.44 18846.18 16587.61 17098.82 20718.87 19264.62 20251.39 21290.15 17998.14 21308.07 18824.82 22555.01 19364.37 17884.49 15334.9 15747.17 18894.92 20553.83 18424.76 19494.92 18314.47 16758.88 18073.6 17957.08 15697.52 17133.52 19284.09 18603.1 19678.53 21499.98 18046.34 18418.71 18627.22 19022.19 19349.01 19126.88 19167.99 19054.43 18631.06 19152.79 19165.88 19167.2 Saikosaponin BK1 2814.59 1662.88 2961.31 1086.94 2452.87 2201.79 1503.77 4965.74 4066.36 427.08 1605.97 3337.54 3576.63 3223.35 5784.86 2771.67 1687.59 1415.98 14900.01 1939.88 5141.69 1199.03 1472.77 851.28 1895.48 1343.38 1091.56 8352.76 6202.53 2526.21 3755.9 3628.74 11665.63 1100.89 698.1 10121.5 388.15 2741.01 658.96 1152.37 4816.77 13959.42 2837.21 2605.34 4066.73 1606.09 8464.65 2914.98 4125.95 5809.84 4813.01 6265.92 5815.34 2203.57 4458.49 5875.18 1879.94 3055.93 10080.2 2441.69 1769.2 786.9 4938.65 829.58 3153.47 3406.45 6004.13 2602.06 2224.58 960.14 4214.38 1777.9 4280.47 466.01 588 4262.62 3987.08 4355.27 4395.31 3647.39 4634.1 4519.11 3859.97 2960.8 2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide 6925.1 5007.86 7474.46 7339.55 6589.07 4368.3 7104.62 4351.59 3604.73 6202.9 5484.26 5567.27 8403.99 5480.32 5624.47 2879.63 6734.07 6865.6 4767.55 4973.39 4050.55 2212.41 5597.31 6484.39 4249.9 616.3 461.72 2515.39 5288.03 917.3 3093.04 4926.91 2485.64 5724.84 7353.96 3400.64 3366.63 1590.48 8001.2 4716.9 1419.43 2434.07 8335.31 8492.8 3946.23 6626.3 6176.52 4716.37 5600.11 2712.85 8013.49 8450.53 9398.42 10545.36 7289.18 6744.64 7511.66 9966.07 3683.21 4792.54 8322.51 7011.4 10300.63 11058.96 8720.95 7901.98 4173.07 8073.71 8638.27 9391.53 4882.69 4695.4 8366.73 5911.49 11057.4 7526.79 7477.04 7657.36 7528.7 7041.39 7408.7 7399.22 7528.98 7531.7 Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate 56647.02 53238.75 7743.54 52928.42 9953.41 37156.29 50855.18 65292.2 73130.47 1448.44 2270.31 3501.93 133254.88 6545.96 56160.79 4484.9 11117.39 1130.24 15901.17 70973.35 2291.19 24608.68 12611.88 5631.88 957.46 2093.93 5605.67 2299.41 2213.87 6148.86 789.93 119624.07 63992.34 15748.15 13879.95 65285.55 55099.62 3483.7 7663.18 3699.58 19115.29 7542.34 9969.69 9243.64 1508.7 46852.92 65422.3 1943.54 926.17 8439.47 835.31 56731.55 14626.01 55569.38 35073.09 1333.96 55192.37 52709.28 523.49 13745.28 2569.14 6236.94 58587.79 23251.32 2045.24 2461.94 57728.59 3428.85 1044.79 596.7 58109.19 13705.07 2974.38 30594.61 30235.18 8618.69 8817.14 8432.1 8589.18 8544.81 8545.55 8545.46 8546.33 8617.69 D-Arabinose 15380.02 15678.74 21084.06 28137.91 34202.13 45030.82 115818.47 23806.27 413513.74 9527.99 13238.48 4939.69 2829.04 2527.92 20808.65 12075.63 39948.26 23317.33 2511.15 2774.47 36562.25 794.86 7354.34 5933.54 11268.57 9660.95 17846.48 2969.99 9458.61 28854.88 23777.9 1393.92 7494.95 4460.72 7396.99 1672.69 20405.22 8641.55 1117.08 4778.15 5242.42 2524.25 5460.29 14116.29 2331.9 59166.97 6803.14 2295.59 5131.05 2511.24 3044.42 9862.66 2596.85 18789.68 6329.16 52803.55 53123.97 22119.93 31242.7 45569.45 10629.53 7160.86 50947.13 29970.9 10265.29 17145.25 69653.51 15681.06 9788.52 29949.55 42372.71 18053.23 6835.65 38837.28 39176.76 19989.67 47953.87 26298.1 11833.08 18784.16 20527.7 34322.68 28562.39 45562.97 10917.19 27180.37 16535.61 16713.17 16826.87 9962.29 13367.04 16119.74 29613.56 12766.81 42116.21 94249.63 64413.26 57625.87 111587.27 144104.2 24553.48 25096.62 24246.6 24187.3 24889.25 24231.81 24235.53 24562.25 24301.01 Bazedoxifene HCl 349573.48 252619.75 103957.39 153226.49 101072.35 207688.21 124100.13 262641.57 283453.08 230396.67 409897.19 240894.29 222687.26 206310.6 244503.2 233557.33 160958 332385 349879.78 92521.34 162183.13 28118.37 93473.84 226990.27 329692.37 215002.37 251744.92 270964.17 317517.84 20282.36 18394.04 73181.27 51088.08 58341.4 129053.48 339321.58 287149.59 146185.17 196346.4 171347.17 97057.02 394332.95 195260.79 333612.91 340018.88 214930.66 261652.69 49643.69 272577.97 271840.46 262357.8 155511.74 321014.18 152371.76 305444.41 176410.18 122007.13 174936.14 76969.82 69589.51 218598.41 110565.94 331294.45 137992 192341.68 260725.69 117159.78 523624.18 312329.2 336462.83 84309.16 190353.53 203213.46 158414.56 151575.39 7376.85 8237.68 7425.75 7523.97 7448.8 5844.98 7048.37 6681.57 5863.26 4374.72 4305.51 4221.9 5477.9 6226.67 3918.27 7662.91 5744.47 7052.23 7336.34 14052.39 6678.81 6935.28 9848.51 6678.72 5114.51 237739.66 223832.36 234781.86 230346 237532.21 238975.85 234212.33 254053.43 237834.58 Suxibuzone 74185.81 161560.86 27017.15 54906.29 4599.66 79997.7 2576.94 1165.34 1351.54 97917.67 5080.96 9200.46 102643.95 129769.24 91464.87 40486.6 46846.73 199806.9 118856.3 190178.86 9399.73 64754.24 3249.24 3121.16 8081.01 18897.04 6162.04 10927.51 94890.87 10451.2 222772.43 444287.07 9667.58 11716.22 8812.79 62509.04 5688.73 8797.55 4275.54 9248.76 149994.55 136896.82 4352.64 38304.82 168715.38 74450.81 135128.22 38129.44 54580.11 233158.71 90592.62 179863.64 33540.54 85529.96 70495.58 154020.35 18013.98 21157.33 3673.3 51299.62 4418.54 2010.14 68883.9 26031.27 53187.89 196118.37 238661.59 24784.9 41613.8 8718.11 12854.9 15659.04 13653.86 65323.44 37568.16 104143.49 97926.14 108956.8 101485.65 100790.31 116095.16 106815.74 101204.46 107756.41 Pyridoxal hydrochloride 18655.81 23804.36 12246.55 14473.38 30535.86 29097.44 22873.38 26757 26802.23 19751.46 20696.11 21447.93 19073.3 14361.21 23723.4 21018.47 13607.56 27559.35 24084.43 31980.1 28793.46 14274.97 18739.66 17632.26 25401.61 23343.25 15705.81 15800.31 23298.81 2161.12 25413.37 17574.83 13038.85 2234.79 10619.15 16569.01 16849.86 13989.49 9706.95 7746.87 21662.61 23566.62 9288.52 8631.99 22402.84 14981.5 21936.83 9274.05 10960.05 16503.69 10676.87 15148.68 6758.53 14277.21 8517.08 12760.94 9000.09 9687.53 16609.82 9054.33 6696.92 1297.58 12899.34 10404.11 8320.74 18503.02 22009.44 8064.35 12035.29 17251.56 18190.47 12094.06 10337.61 11132.97 9539.65 16895.09 16987.64 16721.54 16769.37 17001.57 14977.49 16755.85 16992.46 16720.82 5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-(4-Methoxyphenyl)isoxazole-3-Carboxamide 7604.71 28918.49 58907.67 467.07 13577.41 20933.55 1654.23 14893.11 10752.69 5031.02 4138.05 785.75 3038.31 8161.66 14647.06 4914.58 8009.05 13237.31 5870.89 1497.47 12841.27 5498.94 4278.09 5604.96 19838.58 18607.07 3196.2 3909.56 7728.7 315.51 5327.11 698.63 28082.04 5980.18 14131.41 5877.87 35777.7 32678.17 4339.94 7815.13 12238.76 22341.26 6892.06 8490.51 11425.38 4647.77 6584.49 3691.61 1756.18 5539.18 5043.41 33355.28 14825.22 6478.75 34302.05 43744.18 34901.08 13682.71 27184.53 48754.44 3377.66 3009.34 39587.97 10999.18 10527.95 35629.64 22279.72 2788.61 5569.15 28143.55 23467.23 4069.03 3613.38 6706.65 6031.64 15738.99 15187 15742.12 15222.76 15538.34 15791.28 15769.08 15743.05 12484.55 p-Toluenesulfonic acid monohydrate 4838.43 3037.97 6856.09 4965.43 5167.7 5989.73 4851.27 5243.76 4287.62 5623.92 5455.73 1829.98 3286.5 5590.59 5529.99 3220.57 5494.23 6307.14 3098.98 5020.71 4590.49 10271.32 3288.68 6100.24 1939.96 2853.32 1004.19 2746.94 3683.72 1375.13 5755.55 4091.13 1941.84 4659.54 11255.3 950.86 8055.02 3175.41 9267.28 11097.37 3846.36 1724.05 8826.51 3489.34 1329.03 4476.28 5626.23 2816.96 2125.71 2974.99 1266.31 2630.37 10822.4 10797.53 4501.81 3527.75 7131.23 7711.29 2236.32 3792.68 6520.49 6047.9 8565.04 8538.71 2318.65 3463.2 3056.32 4649.18 3532.55 3011.91 4940.59 961.31 5798.91 10100.11 4296.38 2264.56 2305.24 2210.36 2270.04 2041.33 2142.18 1994.03 2142.54 1791.27 Oglufanide 723.46 3350.62 5143.04 7574.11 12705.14 5358.52 14115.36 5006.14 7587.28 17485.61 26459.95 20530.73 8227.2 2198.9 631.34 5970.04 39208.8 21834.84 8404.61 4627.1 4174.68 1194.54 3502.23 15837.05 17372.41 18225.95 17432.37 13615.81 8224.61 8962.12 567.75 7147.64 685.9 6229.43 16514.46 980.18 6453.77 9363.24 6324.24 12970.17 2738.6 5601.48 3439.22 8346.81 6053.94 9609.72 7555.9 1014.99 603.83 864.12 4194.07 7617.79 27336.17 36366.35 23965.46 6241.91 1797.52 36399.18 7859.36 3452.81 548.6 538.02 2047.22 42435.04 16675.69 15435.87 591.45 1737.73 860.16 1271.19 469.07 6472 19509.37 52605.21 4351.8 17993.49 18895.67 17840.17 18949.2 12970.26 18806.05 17944.71 18580.62 18252.21 Tolmetin sodium dihydrate 109070.64 12092.5 3645.63 2776.53 1153.48 19225.3 7022.86 8761.17 72394.78 14005.2 555.89 19756.08 3007.86 1091.02 53515.59 3117.92 640.44 3431.61 10543.98 74980 34900.05 7071.63 5333.99 399.8 2893.47 22960.05 3612.44 2923.4 14035.32 10040.87 9608.31 24484.88 23231.41 4095.68 2483.63 1833.82 29942.31 13475.84 1006.47 9198.96 4433.07 72049.28 474.2 1095.82 607.64 5629.68 9948.27 6945.66 6795.79 7223.66 43167.13 20127.78 2841.26 10367.24 53365.12 5181.87 3868.27 2898.01 38456.15 6844.2 6167.14 2296.83 25862.59 4576.71 1769.78 46924.86 17353.63 1890.2 2247.23 38730.02 30440.99 9258.22 10135.43 7868.48 4280.61 10372.76 11031.09 11049.5 11207.16 10908.19 9611.01 11166.53 10762.64 9626.08 13,14-dihydro-15-keto-tetranor Prostaglandin E2 352.78 150.12 126.22 14548.61 27692.98 44337.96 44158.31 182.93 251.44 128.21 245.93 162.69 23810.27 146.49 170.31 3793.87 1521.41 44.39 111.17 156.21 221.46 21.79 92.71 126.9 622.86 195.67 2780.2 303.55 211.92 1165.11 58.33 2057.51 31.32 2283.89 168.81 46.75 222.94 68.83 1488.33 90.87 22097.16 6108.06 38.62 88.77 84.63 36805.53 97.22 66.12 52.47 2527.3 3222.75 169.68 70.38 3771.49 7126.72 1354.87 37.63 37.03 838.44 729.01 21.65 2246.81 284.16 525.32 1089.55 1150.09 78.85 76.19 144.11 186.24 64.98 219.54 83.3 518.32 4523.32 8629.5 13313.26 9303.91 8203.29 7401.2 9134.57 8180.1 8780.56 11977.03 8769.68 8792.66 6587.97 7122.69 8306.03 8377.46 9010.98 7583.64 8499.14 8497.29 13318.69 7505.67 8134.21 8042.63 9157.63 7057.55 6124.75 6124.84 6165.32 6124.8 6134.88 6124.75 6119.16 6134.88 6132.94 N,N'-(acridine-3,6-diyl)diacetamide 81109.55 294367.24 796733.74 689564.56 33955.03 81378.46 75192.8 11449.57 3503.05 109346.82 184053.69 175348.06 217731.77 331309.65 177090.81 254924.06 173282.12 202621.94 30268.38 61657.13 8065.35 2359.61 317975.42 499982.97 50966.5 71087.34 138384.06 97051.39 52834.28 4788.32 13996.04 4679.68 2521.12 360168.82 561637.53 63499.32 107513.29 3186.92 112125.69 401737.37 7381.45 4248.05 269090.27 238932.88 20101.29 92696.1 53332.5 169590.15 10397.37 13393.19 56412.89 153872.18 289523.5 335041.51 153939.76 339304.9 1504431.96 496058.58 50119.97 26027.26 152676.41 358529.77 420998.84 703838.11 268592.91 197214.18 23533.43 160201.72 320143.44 96745.48 6266.63 97429.86 276692.73 778625.78 543229.21 140917.71 140924.1 140924.24 139406.04 138968.26 139363.96 139422.52 140685.71 140482.96 6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate 5187.85 4886.04 181156.25 102514.94 14552.08 2149.51 3135.51 4408.59 4522.31 19122.48 101495.37 19852.79 3467.62 77367.48 29207.85 28364.59 25391.16 21708.99 3297.23 12145.86 18062.28 12164.26 66901.75 142331.6 6618.37 22191.56 6084.39 4891.56 2543.63 1662.01 7640.49 4680.61 5109.06 67611.76 119842.72 1656.7 30455.86 14895.17 62602.56 124689.1 13557.71 5519.49 91848.05 108579.68 3700.53 19589.58 3336.39 36899.93 13658.95 7616.64 6095.6 34797.03 80542.54 94532.03 25963.82 71817.31 139223.61 125105.47 3966.68 19259.59 98572.95 109829.72 109953.35 154802.55 100627.9 7280.58 9649.29 5750.16 37802.23 8603.99 8808.69 3180.89 105472.03 161814.31 125235.3 227584.11 235550.82 232669.41 187292.26 182503.83 229913.26 299826.19 208554.85 187140.03 200249.39 252159.25 118672.71 346323.57 191476.36 172339.4 187447.44 211796.67 268362.42 299219.09 255537.49 343197.06 283186.19 288109.72 254604.43 202442.68 9823.9 8039.89 8138.92 7654.09 7389.23 8429.97 8362.08 6545.17 7386.81 (25R)-Delta(4)-dafachronic acid 24538.19 5656.05 2833.03 13035.8 12072.75 18024.26 33360.55 25770.63 10981.75 26521.96 29012.29 30096.15 13849.85 26892.47 13492.75 25105.19 24767.32 26817.14 30362.99 26868.27 27175.29 37187.5 27764.32 25929.97 24541.44 19754.57 16565.94 13436.7 28247.67 26517.77 27151.25 7862.04 20514.79 23352.22 24836.62 37134.08 27748.49 27598.03 23756.3 28260.48 12731.87 13118.46 24822.47 23700.85 21324.19 16591.64 20932.99 15134.75 14894.8 27193.72 14998.83 24517.39 17073.39 13119.8 15742.12 24884.37 21887.05 22806.61 26326.83 21044.44 19034.47 23004.25 14925.96 16856.98 24795.11 19302.51 26176.98 8772.61 17202.65 28074.02 16483.72 27374.83 28954.68 23971.53 12282.83 23051.45 23961.96 23174.27 22932.62 23685.85 22830.85 24779.85 24431.5 23111.52 Iliren 10778.27 9515.34 12964.92 6705.19 4890.94 6755.89 4958.83 5780.49 6292 8744.36 28912.9 33074.37 12951.09 19659.96 4974.28 17369.39 21876.66 15642.03 53096.03 11406.32 3976.96 12011.78 27019.79 26411.16 8071.57 8187.41 14959.25 35230.93 17510.18 1616.3 11619.78 11725.78 5795.55 6792.88 36884.21 2534.64 6033.44 4482.77 11863.08 24315.88 1245.22 1636.51 13993.85 12353.88 3367.01 6438.66 2228.64 8085.21 14656.92 12185.08 1739.7 4230.91 8819.8 18659.78 6957.43 4007.28 17343.66 8293.29 8265.87 4199.1 12174.71 7513.13 4676.27 15465.04 23355.01 10738.19 6824.83 19797.41 27053.09 5066.62 9672.89 16875.22 14848.47 65567.56 19543.68 16083.23 14590.31 16628.97 15133.23 14900.92 13422.47 15887.67 15934.21 15344.19 N-Ethyl-9alpha, 11alpha, 15S-trihydroxy-prosta-5Z, 13E-dien-1-amide 8928.43 5484.12 4375.03 19121.92 39646.26 57817.96 144493.92 4910.91 6625.5 6470.16 7453.47 9094.99 35417.28 4344.6 8907.05 8296.38 7055.28 916.69 5429.05 4849.73 6911.28 16820.17 11275.12 11492.07 7347.15 21719.35 5138.32 6334.41 16529.21 6717.97 6849.54 12907.27 15437.52 16540.97 21414.79 3226.83 3356.01 3736.65 1957.24 1851.88 19080.32 5070.64 4417.25 6391.36 1187.11 13175.71 16017.42 4182.29 8263.53 13602.43 8356.53 10420.17 4338.53 18600.06 5952.93 2693.42 22039.13 1827.63 2071.78 1846.59 4428.94 4525.11 7171.68 10251.97 8309.93 7074.2 6848.58 9139.02 5289.18 4121.28 3574.38 9749.62 5076.92 6907.03 11896.84 12641.62 13871.45 12490.25 14358.11 9821.59 13810.02 17161.39 13583.59 12363.39 N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone 6231.92 3553.78 4515.66 4669.3 9379.26 5491.15 6293.14 9492.24 2759.49 6905.82 8550.91 14401.6 8788.66 5165.35 4890.88 7949.29 4478.69 1365.9 9025.26 6438.51 10464.88 5316.11 8421.57 5884.3 1613.64 4745.91 3592.49 4735.8 10622.9 8961.53 8310.3 21862.79 10247.04 10118.45 10180.26 7167.58 3419.81 3058.98 2817.7 1424.53 9567.65 10649.14 4319.13 3389.24 9082.15 3015.78 10268.21 7198.03 9484.77 11761.82 10234.38 5158.56 7214.64 8864.56 4586.39 1866.1 2433.97 1463.58 5516.68 649.64 2589.83 2579.95 2710.15 6075.47 4972.79 4173.59 6231.78 5206.33 3360.36 1354.27 2944 4322.71 5199.18 5692.44 6637.53 7404.2 7293.94 7404.25 7293.19 7408.71 7296.26 7308.7 7294.76 7545.94 Glutaminylproline 9631.08 23843.31 55338.21 49606.53 22996.74 27315.29 45083.06 39102.47 13853.38 40031.26 88701.94 82803.38 59231.75 58610.3 15789.09 74353.39 48077.3 10024.01 5030.63 6429.05 27564.3 8017.66 69709 69465.65 7231.43 19282.46 82925.03 58154.36 12836.32 18868.81 7758.76 116098.9 7205.57 75837.63 37124.53 20766.65 14248.39 13248.09 30497.65 41839.59 23647.67 33471.08 24595.32 39366.18 17619.17 49493.32 11428.27 47447.07 65432.77 111847.91 26745.88 31403.28 33348.51 57155.64 8741.19 3432.01 29462.04 24407.76 27253.16 10114.21 27930.11 28111.11 22682.22 33324.08 71048.82 29609.18 36151.82 30656.35 65829.87 21379.67 6882.72 40552.3 44642.46 38760.59 57089.66 51150.12 43411.47 50221.19 51559.19 51556.77 50214.12 51546.01 51097.56 51585.34 Phosphoric acid 15466.77 23105.01 290955.45 480084.79 126709.49 80432.1 190990.44 22520.67 50458.49 14710.78 25447.73 40413.42 17787.93 15443.02 22159.78 31833.26 21336.66 19652.63 15298.84 48388.19 165357.61 37920.97 12679.32 26414.23 15078.19 12597.67 14798.15 14966.35 93141.56 32209.42 54568.91 14434.65 10479.8 18189.81 25280.34 10278.1 14107.51 22788.84 12356.68 21222.77 32346.66 11504.99 16318.26 12823.75 18955.45 189167.43 43651.3 21308.64 46551.25 21926.71 13711.53 15454.32 18494.38 35946.67 18233.46 12113.32 318887.01 224021.43 21533.32 32991.89 13092.92 17173.05 21034.91 30075.3 18315.65 35231.74 204599.3 73677.7 24321.1 18175.54 16522.37 22147.01 21508.28 28318.7 42112.37 24860.42 33460.15 19094.13 15983.55 8569.89 21667.63 34179.37 19332.7 36690.11 55513.15 57505.53 58960.44 36060.1 16786.68 37247.74 22035.32 28352.83 30918.9 14891.26 47859.14 29276.8 36228.69 26740.23 45664.25 37533.56 43779.87 42207.11 42195.62 42707.42 41693.62 42688.62 42187.69 42573.19 42282.55 (25S)-Delta(7)-dafachronic acid 44267.16 50832.67 72079.56 62141.3 7158.44 37957.64 25911.47 67156.99 17599.1 56830.2 59045.05 69368.53 95579.78 74313.76 56104.33 50658.51 56086.74 32028.13 33910.86 35933.34 5088.2 21783.72 75984.3 72719.02 24300.69 52663.26 75821.25 75443.32 28528.78 91460.42 8415.83 49860.06 52547.03 58917.31 60576.82 67821.76 55821.46 54084.12 78854.18 68667.47 100461.97 78685.42 75802.6 74030.79 37245.63 56714.52 45283.24 27812.82 70353.3 51100.91 43678.09 62051.86 70256.2 85546.32 143480.81 56823.63 66630.36 75536.11 61666.05 58796.5 80574.8 61474.16 61920.41 90653.44 65702.15 74820.18 3115.45 81088.07 77358.9 65580.56 58098.09 43570.77 47910.89 80870.7 78439.1 3588.21 3054.83 3608.69 3678.53 3650.35 3623.98 3343.75 3883.32 3691.74 4118.86 3272.13 3703.81 3683.25 3739.31 3359.87 3077.2 3978.82 3753.31 3578.19 3852.25 3585.5 4169.83 3735.08 3981.39 3800.27 67339.85 66767.45 66210.31 66198.27 67273.78 60848.9 66314.33 68123.72 67274.05 Phenylalanylserine 721760.81 946320.42 535576.58 385779.13 511233.3 1548141.88 824638.01 434408.5 320106.49 853740.44 871009.87 817193.05 847847.49 467835.79 680095.7 546983.11 868736.79 401968.14 1333376.54 668923.48 597668.32 388317.46 613671.73 891499.89 866439.29 807593.78 1173671.59 998517.45 1631272.17 84551.8 312913.5 374300.8 1141145.78 735214.7 846403.56 633934.27 546629.78 639038.49 645915.1 702018.54 292016.98 346838.53 849877.79 996388.05 973318.82 342022.6 834769.45 746375.46 668905.28 737889.47 387634.54 749208.06 901793.62 753664.21 385790.98 1216865.15 520935.71 463511.38 849730.45 687977.04 618101.42 527174.69 1024433.08 720113.45 986183.62 573243.51 2042544.89 744635.25 981186.09 773067.4 631557.41 730026.11 523155.51 1175281.89 496743.84 718189.54 812913.79 896019.36 859491.46 818502.4 859303.13 742736.39 859562.62 867973.83 (1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 8223.4 9288.5 1084.56 5546.69 7040.72 1137.47 6800.58 6971.74 835.9 6286.25 6480.37 3126.94 876.32 4445.45 10422.05 7487.59 8094.01 15448.6 1910.93 5195.82 1088.61 820.01 1127.84 2156.19 2708.28 691.09 2724.82 4380.48 3263.74 2442.85 6099.6 1333.09 2941.4 620.1 1480.08 5890.2 6523.38 3061.73 5088.97 10863.41 418.88 520.25 8077.64 4993.29 2857.56 1760.08 5992.85 5259.77 1130.23 2424.04 4368.53 5089.2 5995.68 8326.74 6016.72 7437.13 9464.83 3432.99 3504.52 5125.07 3988.79 4041.97 6961.51 7869.7 14645.63 6444.08 3783.14 5510.62 5756.94 6625.39 6837.65 3936.01 8845.47 8728.59 5874.67 2789.46 3602.64 3426.91 2731.65 2292.07 3382.09 2963.41 3854.2 2652.89 3202.07 2955.25 2161.4 4032.44 2767.25 2675.38 3758.02 4292.23 3762.14 2732.44 3509.54 3134.33 2102.25 3412.16 4278.94 3428.42 7313.88 7337.8 7311.44 7305.61 7096.33 6887.83 7348.4 7092.56 7258.83 17-keto-7(Z),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 1664.68 522.55 569.25 1267.6 5456.59 3546.91 2346.79 8195.91 6143.71 3797.96 1125.06 2605.5 2451.4 1280.99 6499.41 626.2 1200.64 5844.68 525.45 1440.64 1418.5 1241.07 950.49 536.5 5503.35 8935.67 922.25 1802.65 5304.68 1907.24 563.06 2153 5403.56 2013.53 3838.46 3240.76 1900.44 525.33 1367.06 7736.6 3072.78 2604.32 3243.35 1656.82 558.09 2540.43 691.23 733.27 897.38 1777.45 1879.09 474.98 6511.69 8217.43 791.27 414.93 1437.84 3095.6 3482.86 496.6 1408.91 1622.94 4327.35 10013.92 7575.65 1772.7 557.9 831.25 1276.13 3574.87 7555.4 1242.12 3423.06 8338.87 3158.86 2817.68 2554.1 2801.55 2752.33 2729.31 2821.76 2815.12 2828.55 2820.14 5-HEPE 36374.34 47589.35 1183.83 72482.85 199928.71 18619.74 38290 91006.31 13333.31 34903.69 54550.63 20883.45 62899.64 24092.42 22419.24 33790.61 15003.96 53277.61 37318.68 15232.4 27746.34 31904.86 19674.27 25944.54 95068.76 112037.38 61630.68 66182.4 67145.35 29982.42 25771.26 70253.81 45482.8 35920.03 27502.04 119157.13 60973.4 18538.89 25398.12 29629.45 121471.06 167606.82 15471.8 43422 61929.31 140183.2 87530.78 54389.87 68071.02 65084.57 118837.75 50645.56 20253.33 43673.33 70471.55 55845.36 15367.4 12957.23 69848.99 24930.05 19487.75 24541.53 36666.76 24803.24 26261.75 51437.47 15012.59 44095.83 34257.78 60504.04 43486.22 51837.63 32120.42 34152.05 35499.34 71200.4 71116.39 70847.75 70918.93 67725.33 67895.91 70936.65 70935.32 50710.16 Silymonin 25733.12 20282.66 1774.92 8662.15 6686.24 983.92 1647.3 23708.96 6205.18 29625.54 16886.98 55461.35 30711.14 37673.12 37948.92 14217.29 9821.38 57643.92 32323.88 2304.7 8757.42 2902.24 2981.72 1439.39 31066.29 6121.53 24970.5 58972.91 67935.12 50846.83 10723.78 2470.52 4728.61 3944.66 1860.66 86851.88 51600.46 24220.86 21145.67 44014.41 87061.86 77591.91 34074.6 95591.47 52436.1 51906.17 7845.03 20734.16 2063.61 31111.56 36730.19 36308.16 51539.26 82152.56 80323.77 71650.42 4437.01 10169.15 26568.75 14828.32 10035.12 78040.1 25646.74 19497.86 54945.78 88747.13 21051.31 86249.49 41102.76 15071.67 14176.94 33562.5 31683.06 19951.64 16127.36 26312.66 20884.01 25852.27 28535.12 27392.14 26441.77 27444.75 28617.03 26799.87 (3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione 3589.06 1096.36 9896.37 5673.97 4952.37 3778.49 3862.67 2409.07 3716.05 358.95 1493.91 3261.1 10241.5 5480.48 2766.62 15649.2 2428.88 1583.57 4493.42 6269.82 1662.42 1075.48 12510.94 20065.3 5569.72 18805.42 4407.78 468.77 12618.53 921.7 1562.91 36565.44 9859.97 374167.36 1760.52 1865.25 763.76 2642.27 5451.36 7935.08 1416.33 1302.81 24219.35 2941.85 1745.96 3676.74 2595.99 17705.6 354.37 3063.9 9128.86 2256.08 32234.77 16307.44 7903.79 1817.52 9418.05 2730.87 7294.26 7935.1 6214.78 98799.72 974.09 3469.09 530.45 2137.58 1343.19 23284.93 29736.58 2461.18 3598.21 8910.27 25754.63 11450.18 3734.87 4145.09 6607.18 7870.81 5819.95 4201.57 4416.53 6299.7 6401.37 6433.73 1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one 4579.56 3855.4 15052.66 14937.59 8533.92 22386.96 9997.8 4119.07 4100.98 4566.56 11420.9 10721.36 11246.4 8899.33 7851.93 9465.28 13318.15 8898.7 8807.97 13986.51 6216.37 5669.8 9180.2 8561.65 5666.28 6119.31 7901.26 5497.03 6229.68 9926.91 4825.71 13640.85 4216.76 16463.32 32082.71 6822.76 4568.28 7172.35 5388.18 7282.27 8664.08 8604.78 5874.23 8013.76 7773.98 11932.6 3552.9 5530.63 7597.69 11702.58 7064 6959.4 7394.13 8722.02 7104.51 7575.03 23384.8 17230.29 11111.49 11250.13 7485.48 8861.3 19039.36 10224.93 6262.85 7137.04 3679.24 6821.4 5760.79 4011.75 7103.4 6079.59 6532.48 10910.74 10476.02 9575.72 10634.74 9560.45 9906.76 9556.69 9597.1 9561.17 10463.28 9638.44 Unii-27F71M186X 138161.76 232528.29 153060.33 70452.63 170119.19 276429.85 95557.34 244691.64 314132.95 114232.47 163206.13 130564.42 161426.14 119655.16 237521.75 141705.98 131306.71 267795.76 89580.02 349679.26 196464.87 139043.71 77414.6 143938.54 271788.95 369033.52 80932.3 185972.9 204331.52 34070.81 135749.5 69587.56 185532.3 107913.4 151801.7 227315.98 218423.73 221541.17 63679.81 91061.08 324203.92 301966.78 158694.13 115902.03 263655.21 103306.41 244214.49 88461.29 100313.39 112871.97 118640.43 331881.02 157999.17 201385.01 96138.74 226532.19 126373.32 96762.57 157979.8 235549.93 102033.71 35602.83 106037.23 157169.05 119536.74 171414.81 248404.07 135469.12 112312.84 156575.08 310907.9 25224.09 70337.84 152741.95 147571.65 174476.38 177250.6 174507.74 174791.93 175052.78 174481.78 174466.56 174504.84 176344.3 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one 9693.26 6842.49 2325.95 1385.16 12374.01 16669.27 24007.23 5780.28 5587.9 31806.8 2731.08 11822.53 12476.05 10932.07 6341.14 2856.71 2839.63 21605.59 23827.17 12288.52 4511.41 10009.56 8122.33 7092.65 1648.08 23780.08 2627.28 13407.39 1958.67 3052.19 4917.41 1914.94 4823.16 3310.49 1894.75 1003.99 1063.81 5441.28 1847.05 4082.42 2080.07 1129.84 3607.9 2994.32 13033.63 12265.55 1191.1 2081.71 2061.81 5937.7 7709.83 7206.39 4398.97 11147.75 1303.14 4222.78 6218.39 4056.3 4257.95 4158.01 4608.73 1008.93 7747.26 4017.6 467.55 5764.87 10146.83 5369.32 2999.57 963.46 7902.03 645.35 358.63 3390.88 11321.26 7659.89 7660.32 7666.63 7653.38 7356.4 7589.33 7545.19 7553.41 7602.34 3-Indoleacetonitrile 2315.57 1197.93 1010.66 1615.89 5664.53 4213.71 599.48 10841.7 14198.82 3136.92 1300.48 3465.07 761.08 993.77 4034.29 2137.39 1383.77 8835.44 3779.44 2623.86 633.45 527.89 993.99 537.8 7569.82 717.83 1215.96 3336.91 2919.72 1204.52 2284.24 2148.65 4177.18 521.36 2185.1 5336.9 753.17 805.2 819.2 1106.49 10054.31 1498.62 2164.09 2411.08 1985.87 672.6 11467.5 3274.05 5046.55 2527.69 704.15 682.32 2127.91 1207.4 2150.05 581.43 610.25 1463.83 1631.53 2109.07 2127.35 2676.93 770.09 2011.39 1430.98 769.7 1353.89 1629.56 1250.79 10596.63 13251.76 1650.87 1218.05 835.97 1846.41 1867.46 1940.62 2086.35 1865.86 1951.24 1863.82 1930.54 2182.5 1227.62 Unii-974utb4yau 14208.31 4159.01 705.1 443.77 12271.91 6988.27 3605.06 21917.29 20855.55 6725.74 4933.74 15356.33 3929.42 11286.02 15947.37 4546.29 4817.33 15807.19 8265.22 32560.91 25409.22 4464.28 1068.38 1015.62 17184.54 17691.33 3357.99 7560.19 14765.05 8255.17 21745.18 10285.44 11011.98 2354.85 2592.93 14264.56 16192.66 2625.23 2163.32 1634.32 8074.46 14396.04 2715.79 562.54 8167.67 13415.85 15173.24 15439.9 9159.44 14476.78 9087.16 10890.97 1603.99 2114.01 6899.37 5818.83 2617.92 1789.31 9676.86 1034.1 1435.52 823.37 4881.53 2167.6 890.45 7114.98 21066.03 3476.28 5984.17 15211.72 16047.52 1680.79 1970.11 1282.17 933.88 9130.02 8706.57 8985.15 8906.92 9765.9 7654.57 9170.24 8773.7 8752.99 Hovenidulcioside A2 5843.44 12826.44 21965.49 24324.15 35459.41 18049.6 9221.24 16354.47 7885.97 3340.52 15257.27 9392.91 37396.91 32824.95 26599.33 26237.64 10660.74 9060.45 30834.53 12693.04 17704.74 3220.27 32120.72 32256.6 34134.14 14950.2 12096.19 24597.93 42018.5 32010.71 41902.64 62107.67 15613.88 23414.44 3160.67 43321.73 26417.75 21477.21 16091.09 23425.69 42227.54 28940 18641.6 13694.55 48261.26 33771.27 48176.26 22315.86 98900.78 109391.94 67766.74 9709.57 28304.22 37913.98 32025.07 12387.12 17337.76 10537.1 3954.01 6312.22 15913.77 5198.01 21185.51 16066.57 23767.72 40716.01 47910.58 6312.79 25553.16 19520.04 22037.86 15568.41 23559.96 12712.49 24783.95 27287.76 27992.88 28252.87 27198.9 28335.3 28300.35 26249.93 25194.48 28007.6 Pyriftalid 1158.42 402.69 1769.99 550.1 270.4 1676.24 366.96 2171.24 1916.37 807.81 1121.03 454.9 898.71 638.08 1032.18 958.12 862.94 2615.38 1551.8 4279.91 304.65 2108.19 546.18 497.16 1169.61 2723.91 618.84 794.12 1435.4 421.37 2862.87 612.13 641.13 1882.61 714.34 864.36 1382.04 259.21 751.6 1843.12 661.81 2845.58 2141.69 6314.93 1469.08 1204.2 3420.48 321.32 2972.67 2688.56 1296.4 1470 994.77 1492.54 3072.39 1221.49 3308.54 4963.72 1036 1025.99 7720.09 8243.83 1695.85 6335.52 749.98 1863.93 2245.57 3441.27 5723.31 2304.84 519.12 1990.47 1682.85 1915.11 8919.64 3197.61 3128.75 3301.3 3110.53 3738.79 3299.71 3527.8 3059.94 3060.71 NCGC00384613-01_C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16-Hydroxy-17-[(3-methylbutanoyl)oxy]kauran-18-oic acid 52852.92 36735.02 16101.5 20686.25 57509.69 55394.75 1938.67 39722.17 39293.38 69096.21 27799.15 56615.93 61867.76 96532.4 25664.41 34476.78 25924.56 42128.95 24919.51 18161.33 34216.78 5970.83 23893.24 40304.03 40353.3 39072.76 75045.42 56628.77 28882.24 2689.43 22215.29 1274.51 1399.3 20166.88 7089.37 54690.6 51500.23 29223.96 25400.04 30054.59 16228.11 68103.02 40136.3 74827.53 89743.19 16243.85 31959.9 2480.82 42547.28 56556.68 57807.99 39310.05 105778.68 35284.32 86645.7 30020.81 40878.99 43970.72 24312.05 7151.85 36602.31 36247.32 91064.55 33193.12 43546.01 105476.26 27947.95 228135.26 34841.7 50902.64 22694.02 25908.47 25308.9 34653.39 17714.92 45092.57 46609.84 47638.62 42184.94 48517.92 47868.51 46779.67 48493.08 53449.32 Calcium carbimide 7046.57 7854.23 6605.82 8876.58 9653.83 9064.6 9929.59 23581.46 8702.37 8294.95 5379.82 4097.63 7392.87 5630.71 8598.85 7526.59 5055.97 8726.56 3624.55 8672.19 8305.31 3668.87 5794.8 7445.07 9202.56 7458.72 11131.36 5959.37 8562.35 8619.69 7895.1 5826.55 5807.75 6726.51 5536.25 6972.21 3183.85 4306 4866.09 14179.27 5180.28 6537.04 7084.65 5581.71 7464.99 2817.14 3796.77 10557.95 5800.65 7595.23 8383.22 7530.27 7233.3 12648.15 3708.04 2382.39 1288.37 5430.39 6937 5365.07 7088.12 5258.72 5913.09 6902.97 5671.31 7182.68 8596.07 5773.76 6849.22 8421.78 9821.09 9060.13 8760.08 7892.79 8028.61 7216.79 6871.27 6694.88 7076.06 7086.12 7132.33 6846.76 6841.01 6099.12 Saroglitazar 6012.14 837.14 10919.54 5574.84 17006.28 26766.97 13132.61 3388.68 3762.77 6996.81 6062.55 21454.54 53718.2 3310.87 2466.96 11157.76 118293.56 10932.71 8425.37 697.12 14800.76 7130.92 31282.67 1840.15 5204.24 6117.66 15300.09 10770.04 9279.77 10553.6 1698.1 2034.52 1136.45 2396.81 1016.11 5890.14 4074.68 21729.51 3920.1 2219.05 1065.66 7848.54 3652.86 5684.19 11267.13 6883.74 1661.35 2491.37 1281.22 2559.56 22300.59 2525.38 3945.13 11698.49 27475.48 2692.21 6279.66 16315.22 1610.47 14373.12 1003.7 3744.41 1120.64 35859.37 8180.79 12810.78 497.15 6350.47 1945.19 4892.54 1570.51 7998.3 6362.53 29685.9 8739.68 11291.51 12723.49 10697.91 11416.28 11440.82 11333.99 10774.02 10745 9620.94 N-[(3S)-2-oxothiolan-3-yl]butanamide 4043.55 2745.71 2036.96 658 1583.2 708.72 2331.28 1828.28 1344.81 668.46 2794.69 5663.03 7280.39 5404.86 2003.08 913.87 955.19 1065.95 1950.64 406.99 1992.72 697.55 6899.73 2932.16 1100.83 987.47 2002.47 6630.45 3374.24 487.1 681.82 453.32 2099.66 7303.53 2238.47 1141.57 1720.11 721.01 6840.69 1992.2 1990.5 1652.88 920.51 3522.84 1264.58 6177.86 568.71 2016.45 3938.34 1622.31 2718.02 3397.95 2550.62 1695.37 798.04 3007.83 768.47 1341.45 1151.5 1340.57 643.11 1783.43 847.22 600.42 677.2 3110.2 2837.39 9498.96 1622.98 1308.14 967.81 1611.28 1006.05 703.74 1476.33 1812.55 2633.25 2306.01 2081.79 2611.56 2120.25 2262.93 1980.23 2277.07 3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid 7657.43 8934.93 36255.62 32369.69 27117.01 29339.08 16374.71 6224.84 2548.21 15405.59 13734.24 18229.95 96528.79 9873.35 15042.5 42132.05 18282.69 7639.72 21415.83 7524.49 12838.93 7491.62 96175.47 22069.58 13669.3 4675.91 13749.07 18990.51 12591.19 3958.48 1612.65 11822.51 13504.81 29112 23545.13 3764.63 10669.91 9766.06 13313.53 15416.31 5057.92 5967.3 42399.88 36560.5 10446.7 26196.24 9174.06 8230.31 14093.96 27065.95 13374.67 11284.22 41467.69 38729.94 19867.35 17759.96 35851.35 26604.85 7650.21 5599.07 24835 21507.53 25805.64 52358.9 2179.63 25609.34 10985.69 23358.44 6291.75 5937.73 4888.86 7254.49 20459.13 17955.68 13454.37 14855.91 16629.26 16574.68 14524.28 16142.63 16153.01 16207.26 14067.5 15313.36 N-Acetyglutamic acid 352081.4 229389.97 297685.47 871714.84 624170.5 399486.77 555565.7 249164.64 237887.01 167536.13 286896.39 760402.13 2569241.19 814887.35 210830.94 331014.2 136350.57 144147.85 438425.39 143113.42 788924.6 62234.7 383349.7 282163.58 426779.67 82528 86597.16 147482.59 135851.42 89123.3 131008.67 74643.95 33706.4 238782.05 179715.44 198499.55 236349.83 66313.47 178811.87 91185.68 312268.34 325017.73 103174.1 476609.9 213460.29 335361.11 148154.39 92415.79 336212.7 304815.26 206831.5 277781.2 147469.17 320794.33 304672.79 414162.08 390769.72 114873.06 165718.74 49243.54 121883.43 386882.39 240071.71 180663.76 72013.49 287290.49 189246.28 164426.9 215731.58 388559.54 99244.07 120519.37 133809.09 233359.12 451374.03 287936.19 287944.27 286361.63 284999.86 284997.73 284995.71 288094.97 287473.24 285121.82 Sulfoacetic acid 3300.34 4571.35 3618.95 5396.69 10592.37 124171.94 25304.58 7056.16 12868.6 4489.26 4577.1 4581.31 4800.84 3178.17 5050.99 6123.67 3888.58 5395.61 6408.44 4712.46 8180.74 8635.07 2625.34 2723.06 2743.4 7236.04 5639.78 3474 4451.3 563.78 2154.2 3082.29 2873.17 23094.22 2219.77 3420.06 1900.35 4727.1 2068.7 2288.54 3686.59 2599.02 952.24 2346.02 2262.83 6008.73 2607.75 4210.68 6229.22 7027.95 3105.52 2226.02 1963.64 4539.72 1567.38 1563.76 3088.21 4548.96 2048.79 40297.12 6965.01 1757.06 1028.44 1214 2230.16 2213.07 3460.26 4208.94 3082.22 3248.48 3398.6 2577.3 991.34 2932.26 3877.01 5514.91 5809.77 5595.55 5507.28 5505.89 5505.69 5507.82 5605.02 5511.64 Nordihydrocapsiate 499975.66 538105.22 564092.64 722534.22 310874.56 901634.49 760305.81 491183.13 492995.28 600445.67 560889.09 560738.76 1219070.37 538836.3 481979.35 564429.81 498221.41 552043.38 517097.08 332808.28 478386.16 439793.35 569654.78 561870.41 506599.47 612401 591518.34 617842.41 436241.22 775280.21 375985.65 421598.55 555474.12 673419.08 646482.66 493961.78 616699.42 636431.01 652041.74 692068.42 531549.48 546773.16 526421.73 802664.45 430535.9 854102.68 447970.25 510095.08 464550.63 346648.74 556625.78 538078.8 562719.48 541484.27 518236.03 518516.8 803198.9 624265.57 526664.23 719176.57 744706.92 646786.11 569554.03 669402.01 605510.11 606264.51 449334.82 389373.57 633909.82 568833.08 563534.81 685917.98 566071.76 626932.18 687409.32 132661.75 102090.69 138008.11 115679.67 141456.67 144137.57 193821.44 132920.3 153640.8 118609.22 157992.1 148242.36 127225.29 141019.3 156353.34 210642.76 167710.03 172854.13 173631.22 153713.25 156916.0 139053.82 173460.55 269984.88 117234.69 637940.71 632934.67 635600.18 632931.82 633290.31 632978.61 629304.73 635712.52 635407.02 Melibiose 52047.25 23623.37 1045.3 1559.47 9126.54 466141.69 199548.16 20195.68 4172.45 51388.64 30638.22 74399.98 78031.95 16679.9 24897.55 31890.33 43247.14 70895.5 25827.99 49566.36 2260.16 51939.6 93376.29 29569.43 7781.22 63085.38 159097.25 135137.68 40876.75 15804.59 49812.45 23171.78 1185.48 34426.3 17941.65 41135.25 25937.8 362190.98 33591.5 14126.08 21301.55 36347.95 20113.94 700.59 107767.22 46782.59 42512.73 49482.4 2840.69 4362.54 269881.3 4548.91 4765.53 52577.41 6702.3 27636.22 1020.52 181623.23 1458.68 95128.32 554.87 12510.09 1416.49 453295.89 5118.82 52691.53 29424.82 18719.42 419.21 8308.99 878.67 81479.26 9472.12 39429.9 31254.79 277566.64 872710.56 172468.29 322412.13 385190.74 403725.92 253777.37 244081.0 315205.5 159162.7 374195.28 359235.38 210051.79 231849.33 198338.46 378936.17 219413.17 278884.87 280310.24 352848.56 224791.42 214791.93 319593.52 370371.91 415670.66 51847.4 52866.5 52726.18 52777.97 52868.7 52578.29 52877.24 52699.01 52581.27 7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid 20056.05 39930.66 2008336.89 75727.55 1002985.57 7491.98 158598.16 204606.41 125716.16 40077.71 72233.75 81948.75 28240.91 42825.15 80234.17 462091.98 245895.11 53584.93 1420384.54 73486.72 373480.75 33284.28 1654914.96 214053.66 354279.26 11742.38 107907.49 22915.07 1569354.73 48910.09 887.74 162049.51 1056232.51 210439.32 112920.35 480128.3 72839.98 25517.16 41450.02 8949.6 7692.32 17944.48 208180.8 3963.05 45673.86 56710.81 217065.47 629745.69 1505028.11 173647.99 75038.09 241513.98 253163.92 150279.95 385433.92 53949.69 216986.88 42230.39 161961.02 755.39 103841.89 37932.8 335552.95 994470.81 264980.86 103746.37 1810.27 53826.09 10684.93 369556.79 20909.14 74032.35 90592.74 136322.68 117392.05 199157.94 197715.6 197452.05 196833.01 197129.68 197714.12 194755.98 197724.6 196831.75 3-Amino-4-hydroxybenzoic acid 663.04 144.38 341.04 85229.57 22420.5 39233.15 40266.4 7884.33 138.79 618.22 273.7 181.68 18552.9 136.93 159.81 5079.51 5564.26 484.91 140.37 206.7 2068.38 3103 201.33 125.6 7164.94 84.22 1375.86 609.82 290.07 420.3 150.86 361.82 187.22 4737.92 2348.45 360.14 682.93 574.31 631.81 428.75 3853.83 402.21 196.59 167.45 425.21 21125.06 128.26 272.19 245.89 2568.89 290.8 516.85 606.34 7161.71 249.03 127.4 133.77 505.33 1157.89 2412.25 347.67 828.4 195.81 570.72 559.35 293.72 93.65 783.47 404.16 84.52 306.67 502.06 106.62 3548.26 5959.47 3808.19 2906.08 4213.91 3329.61 2687.47 3728.55 3398.48 3593.77 3769.22 FFA(16:0) 1787189.58 1170267.47 914940.64 1089765.44 1350474.84 1583327.13 1540736.26 1617286.55 1950688.82 1042391.71 2867289.83 1628030.61 1056574.2 1287976.67 1526661.33 1714713.07 1485822.55 1844300.01 1148804.38 1159159.53 1434814.79 1485019.85 1062651.18 1394844.87 1028279.58 1384289.1 1398090.19 1529829.88 1043069.63 1761310.05 1472016.07 1440871.9 1753722.19 929858.22 1069897.82 787569 2006417.67 2072845.89 1505162.9 1822040.97 1251132.12 2112699.38 1244052.24 1098655.01 1326848.15 1364805.51 1131622.39 1177160.53 1142518.2 1828734.68 1299307.91 1107084.06 1392661.92 1548632.28 1270241.31 1017726.1 918309.95 912281.59 1351222.69 1109516 1304505.91 689902.48 1430129.7 1709487.42 1735158.14 1406740.08 1924103.51 1338031.61 1474894.14 1498145.41 2090097.74 1401207.59 2074672.27 1337820.87 1622368.05 8849.08 11178.41 9805.14 8838.72 5575.92 21774.59 18635.82 12983.42 15275.93 11571.39 10193.24 13078.04 14227.06 12045.06 9072.93 11971.21 9837.04 8504.22 7933.5 10193.28 12076.17 9574.01 13361.23 11875.51 7429.05 1358654.71 1365167.95 1365216.27 1348691.97 1348559.95 1365744.11 1365137.73 1356476.76 1330681.18 Val-Gln 84163.58 99366.8 140814.9 142526.19 124793.53 123474.9 139507.28 103949.45 110861.46 187004.56 231172.69 184288.31 224740.48 133778.56 157307.96 215324.47 129925.82 142918.14 299062.89 226512.33 113580.33 219446.7 151947.92 148740.65 104535.5 170463.72 203946.01 167284.2 163354.95 90662.31 146805.81 235282.32 108234.12 174414.28 153435.6 106130.72 98745.91 87411.44 142833.3 152358.66 160095.98 144037.18 164048.96 97519.36 124163.08 164852.78 125869.35 225957.97 196892.24 268429.44 82763.48 93946.09 196223.56 235827.27 68458.28 126286.32 105932 88779.31 93560.65 59318.67 83741.62 88410.3 76546.08 190205.75 178457.94 108530.04 161925.44 124341.81 124473.77 87936.18 132579.67 195846.51 162391.97 170932.55 144280.73 11292.34 17957.02 9804.65 11213.56 7102.81 12520.06 11118.37 11111.84 8316.97 12157.18 11517.07 7929.21 11632.63 10407.86 9915.77 10210.13 12406.35 12130.94 10441.3 9333.49 11425.2 10890.25 12537.84 12454.29 10745.29 174333.3 184291.47 168807.11 173499.68 167352.45 167316.57 170518.71 167410.09 173610.74 1,6-Anhydro-N-acetyl-beta-muramate 145751.06 201220.36 644260.19 354000.76 66081.91 848.98 87875.49 92299.98 95474.66 192241.1 212017.36 160495.48 139297.34 207887.16 126721.72 131380.48 96288.22 129894.36 14157.28 65773.26 78906.04 3467.41 248759.95 197198.78 123458.01 59778.15 159145.88 157012.58 72144.32 10965.15 66540.07 16646.31 3462.97 229945.23 178352.17 97932.41 97146.21 33738.29 185249.46 82732.47 4035.52 14236.59 145725.84 219923.29 130048.08 87657.92 101425.88 64341.21 76701.72 70100.25 122741.48 161737.33 186267.44 240957.76 164313.84 208318.39 439757.53 101092.11 59360.97 16965.86 108354.94 140219.52 122526.67 229053.4 77113.38 158962.69 47287.68 197617.59 180206.74 88359.33 44548.74 77090.05 206996.54 172159.82 289060.21 132313.81 131377.95 132318.05 131396.32 132339.44 128459.94 131448.88 131066.35 131756.11 1-Hydroxy-2-naphthoate 7696.77 55778.76 84496.43 68693.76 17323.91 34634.93 14752.41 8239.54 9801.8 10827.03 27142.23 7338.61 28899.1 14988.53 25046.54 26654.94 127398.21 834.12 14105.48 646.46 25843.77 3168.89 9184.05 27739.34 13153.44 11408.76 10298.48 20893.74 8650.97 9138.16 2402.41 5673.26 6755.27 12303.17 13043.26 9212.28 11339.45 24737.29 13180.02 18023.96 10825.87 24276.19 25615.95 68895.33 6274.26 13840.32 18592.94 9992.36 17936.74 25104.22 24138.2 19821.05 18656.95 22748.68 57129.22 51531.41 223710.72 53409.1 6564.28 24946.28 62640.08 12250.73 58957.17 39083.41 11892.39 24455.19 6173.58 36296.42 46386.72 13962.89 22489 24580.75 28272.73 2434.87 32597.3 712.64 3464.43 4159.25 5322.58 911.13 3682.17 8648.99 1333.24 648.53 3456.76 1189.76 1045.41 700.52 892.62 1227.12 1935.16 4219.72 7777.08 2283.2 3408.61 2625.14 4516.66 3996.25 6754.72 10200.63 14368.45 13471.78 13988.83 13994.18 13731.18 13608.78 13993.2 14165.25 13982.4 [(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate 12777.83 11721.59 4663.83 996.33 648.6 535.76 691.17 5899.62 6487.04 24777.42 8188.18 6512.8 5351.78 5933.26 10236.56 5618.52 10766.97 5425.36 8418.5 4344.97 5965.27 6201.18 16149.01 14712.71 14478.14 10215.91 10533.14 14258.5 26043.66 3099.01 7821.92 6053.55 17238.53 15642.52 12608.4 24403.23 23659.98 22904.9 17920.02 15923.43 14034.62 17245.46 17687.31 14321.32 25915.21 9895.1 10642.66 9640.98 6405.78 9597.26 14682.96 20507.8 15809.41 7821.32 18006.75 31136.76 4519.28 8622.03 17623.1 17837.03 11100.26 10227.85 15117.03 7724.69 7958.22 22755.39 7683.5 13817.75 11992.52 13595.37 19080.68 14443.21 9514.61 13474.6 8255.91 14701.49 15164.41 15294.73 16041.26 15965.57 15992.01 15939.31 16268.05 13292.71 D-Quinovose 603.31 14081.54 38751.09 22782.99 3165.23 3101.42 8273.63 857.83 4764.52 2918.48 14846.02 1849.73 15773.11 11827.98 14478.62 12576.57 19768.41 10075.73 787.07 675.64 4682.54 535.89 8223.61 10611.46 5447.04 12025.23 11199.26 8763.54 10396.8 6733.78 1589.63 11084.46 2841.12 15093.32 17195.55 4329.39 12592.15 8808.15 18427.74 14589.65 12111.22 7888.05 13043.79 13666.31 6111.07 20836.44 1755.05 885.07 1680.62 18657.25 13670.21 9874.4 13627.48 32787.56 12251.35 15891.36 90561.75 65910.99 2621.72 15706.08 18433.65 10248.17 26474.9 53499.26 25577.11 10675.33 10555.52 8368.66 12460.85 11235.4 16826.39 3310.28 30545.77 32620.45 31527.44 1441.97 1644.94 3791.38 2751.08 2635.52 1366.08 1640.72 1421.9 1267.98 3186.99 1324.55 768.43 2848.97 2239.5 2596.83 3847.26 3450.41 3743.81 2707.97 3007.13 1803.7 2577.62 2524.51 2089.12 14521.72 14982.94 14874.23 14764.77 14646.62 14643.42 14878.54 14843.85 14724.87 FFA(17:0) 41984.62 99324.15 943932.64 302567.18 259191.12 479157.55 512629.7 33223.68 31204.62 45566.74 38990.41 103244.57 307268.8 87388.12 44884.79 99132.41 249473.81 46862.39 90998.78 35227.21 69977.49 243649.95 313409.3 177696.79 26589.25 13631.98 21291.85 23984.23 69191.32 47975.89 48607.45 71257.85 50494.71 79204 50148.55 29350.37 34451.16 87496.06 100007.29 30903.42 97838.01 53465.25 61093.21 117269.58 76193.42 157503.48 33620.85 83403.93 75600.06 86164.29 41067.51 70804.45 64483.33 73619.17 82962.5 71121.94 753712.83 86723.24 27538.04 78609.63 357294.98 92144.25 52192.95 67757.48 45975.06 100221.46 74858.95 78427.03 68645.71 34969.2 24882.7 15395.99 54396.58 108545.47 118500.91 7585.98 16474.85 8840.68 15998.29 11529.65 25488.98 15683.85 21484.31 20060.47 15901.61 10730.8 15301.56 22058.01 18364.21 13252.5 12684.92 13242.72 11008.67 9654.37 4299.55 11263.11 14581.33 16039.4 12757.86 12327.39 147757.35 148275 148076.16 148818.1 147858.14 148848.96 147315.14 148672.88 149936.41 Glucose 10094.17 18019.9 40251.61 56973.52 34348.64 9686.68 35894.16 22736.09 24890.32 50897.33 66461.69 38660.11 39277.87 11267.73 15753.66 26380.62 119364.4 44613.13 25922.23 6652.58 18002.23 10580.2 16487.77 24586.68 42043.01 62591.96 60479.15 63121.27 22815.12 30744.03 10031.82 26739.54 25155.66 80970.62 117706.86 34253.64 35710.75 82794.34 15514.83 143209.85 15383.72 15596.24 69849.39 1296.75 15981.17 92007.04 24282.22 24908.83 25742 27861.67 44825.54 17881.78 166316.66 234147.18 241513.46 6206.4 19692.01 180336.93 37974.49 145633.88 15969.48 12520.11 27237.25 252677.41 108348.49 58217.81 12851.15 16276.01 18075.11 23794.7 26038.25 12829.21 131207.03 222179.55 33912.3 302484.39 198608.69 280154.19 267281.43 265725.24 224662.18 253235.14 252003.26 244897.32 262264.11 216260.4 244989.07 245836.59 244633.42 214010.02 191139.09 199983.07 248086.32 257668.26 274496.7 256028.03 248963.07 258327.55 241706.55 245387.31 50130.77 49533.8 50129.62 50126.46 50060.17 49875.14 50129.88 49872.51 50171.07 Cysteinyl-Arginine 50255.93 50055.34 1020.66 5605.33 74261.15 4271.07 43537.59 66663.83 88108.05 37115.65 44646.84 64325.66 11037.72 28898.06 91900.27 44873.06 24053.48 137692.66 66035.77 264844.88 66783.4 22855.8 8025 27937.46 62093.29 76277.52 25875 17470.85 104237.13 6661.81 121236.4 37317.01 38125.39 18985.77 16613.79 66855.26 52430.96 4226.42 11810.47 8814.93 60046.2 50593.09 5155.87 14330.55 85012.97 24022.61 122857.22 48167.45 24755.76 47113.1 28444.57 43853.92 9098.55 23602.76 27660.3 14592.6 13502.01 4056.78 58091.12 510.66 3536.95 481.57 31106.43 3110.71 11952.02 40885.83 78250.92 13059.94 26848.24 55165.78 47330.92 3020.64 19178.75 916.53 16746.8 42764.79 43264.66 43658.27 42237.91 42747.31 40029.22 41681.65 43194.52 42285.85 (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid 6789.62 5231.76 3464.15 3804.57 13559.16 12482.46 9953.56 14209.31 5700.25 5467.98 5073.14 6054.71 5666.53 1411.13 27481.51 20412.71 5444.87 19585.85 5142.8 19718.6 3661.42 5930.36 1352.02 7017.5 9871.97 8128.51 2682.51 825 4793.48 2012.75 1131.8 3794.87 3567.59 2069.42 1143.91 2164.62 7333.32 4706.95 840.15 1543.96 1158.84 635.13 2481.52 2903.05 4769.37 5522.55 6364.55 2310.75 2431.35 5785.44 681.79 1730.1 1996.86 6763.91 7116.56 5141.55 3793.33 2446.96 4493.19 2798.71 836.33 1012.23 4223.11 1235.6 3522.09 5540.49 3164.23 2012.58 2046.36 6400.62 3574.63 795.16 689 3252.38 2274.19 6183.73 6109.22 6108.43 6166.9 6141.62 6318.02 6563.06 6399.1 6376.63 2-Deoxyribose-5'-phosphate 12307.29 19935.85 32224.31 16728.32 8434.75 45422.97 12810.01 13445.9 11540.54 9872.43 16569.02 15478.26 13215.31 12989.81 16674.74 20125.15 10637.83 11481.68 5338.8 2913.01 23564.08 10310.26 18382.66 10903.08 14399.06 19849.82 10242.06 14490.87 10959.23 1231.23 5394.46 6975.83 1202.27 12083.63 13630.4 9587.2 15551.86 11128.4 3011.62 9616.68 12318.24 5197.99 10607.99 9049.83 2808.28 3792.11 6337 6425.51 3150.94 5314 7251.38 7856.71 10459.63 9692.25 8482.21 12560.09 34647.62 19878.19 5835.98 14163.33 7669.23 8713.03 21805.15 19002.4 8977.32 11007.67 7326.02 4878.14 8490.36 12883.46 8184.16 10173.54 15240.37 31699.04 15414.4 12264.32 12457.07 12254.69 12383.05 12355.37 12047.79 12259.05 12428.46 12422.7 Cys-Trp 24419.05 15728.01 22995.51 28101.83 38929.86 10413.32 38367.01 14792.61 22528.05 32537.43 45925.82 43377.46 15393.11 8096.03 2798.71 23831.42 72460.9 38416.05 21793.43 9023.02 17866.49 7488.18 5550.29 48619.45 31259.34 33165.89 32208.85 28269.61 450.3 760.59 11378.39 1447.8 619.09 18789.92 28523.97 10343.17 10458.09 13292.51 360.43 30514.69 7064.03 11514.46 9226.05 516.1 1477.82 24444.42 1655.75 3700.13 7851.67 7071.21 3958.48 20000.07 48749.42 60801.11 37305.12 15474.81 16466.38 65524.59 10266.64 6422.66 744.85 1936.06 9793.5 88839.16 34758.19 30529.56 4323.01 6439.63 8628.43 19581.95 1080.58 7014.91 43944.99 114589.03 30689.26 4044.11 3817.42 3690.2 3911.95 3561.15 4352.61 4314.2 3783.19 4149.27 3693.28 3851.24 4090.46 2817.03 4081.85 3766.38 3366.49 3904.45 4080.33 4207.47 3830.66 3673.38 4227.13 3677.19 4226.62 3952.86 36986.7 37159.33 36260.6 36682.51 37036.37 36654.84 36111.73 37548.86 36303.96 4-Hydroxytamoxifen 7538.05 6638.18 2881.39 3734.24 10612.48 2875.51 4347.33 16855.05 22551.15 10709.18 5477.42 2123.59 7654.98 3131.19 6852.84 2691.62 4573.74 3177.46 5847.28 9634.77 9231.07 19509.54 9826.04 2959.21 1119.33 13815.67 3758.43 650.93 12790.92 2953.62 1885.42 13588.42 6344.63 5203.59 6014.81 14280.77 3191.22 3824.57 2848.76 2287.16 2177.79 11840.62 1171.33 1021.56 12496.23 2921.81 7322.56 5692.93 971.8 11487.74 8482.69 9254.81 2540.26 6114.49 1865.47 9656.02 2477.65 3036.89 6372.38 3182.23 2541.51 6600.77 10076.26 4718.23 12478.64 2003.3 3847.4 1525.6 3618.97 8053.22 2333.01 15355.7 5666.62 685.68 813.42 3228.55 3728.43 4560.48 3922.76 3131.92 4796.32 3692.2 3288.39 4140.49 Gly-Ala-Pro-Met-Phe-Val-NH2 137038.79 111189.93 46955.66 50192.84 119929.1 45109.05 5214.32 168335.04 203416.15 146349.09 72076.29 75363.7 43116.16 97549.95 45870.8 52584.38 47089.95 105734.29 79826.02 57163.48 161566.13 57672.28 141390.03 120940.69 143094.68 240173.26 108890.69 62796.74 172213.02 165841.52 49226.61 160055.74 124993.11 112524.74 78120.4 208238.15 90121.34 153300.37 68271.44 57579.98 220304.5 181315.08 72606.77 73280.17 284088.48 134957.09 133300.4 94397.55 96615.15 161109.26 104151.57 73303.75 156000.11 140028.12 175049.39 107821.4 20349.22 38648.92 153913.83 83629.62 36952 9983.6 135622.89 177336.46 88754.97 100105.28 33345.28 60952.86 104436.96 174719.97 166231.81 93858.96 74483.35 95860.28 82280.23 123167.03 129037.76 131695.78 131566.45 131509.59 131553.89 130666.88 129851.27 131494.87 Propionic acid 18254.37 43890.71 25272.25 19421.01 24967.46 24823.02 21527.35 15845.73 12390.05 32572.13 14736.93 26697.07 55764.42 25327.27 36624.87 23907.79 22912.97 27095.61 49017.9 4279.18 1062.84 10762.05 22913.52 23667.59 23395.32 24269.38 39042.8 19747.6 26488.39 512.53 8898.11 32325 23665.6 23332.19 21870.24 26548.03 17116.14 13205.26 19462.26 24170.41 4083.42 22518.52 29242.82 16237.29 21362.54 17967.31 21411.73 35021.93 14986.56 32127.03 10190.92 27661.32 27714.04 27046.83 17290.21 39544.14 27307.68 25319.43 20799.48 16251.62 22950.35 32352.25 16129.88 19167.27 29491.65 28127.91 4469.43 30956.15 22474.08 14550.29 15916.43 22326.11 12683.81 25738.75 17672.59 22991.44 23188.58 23187.77 23189.99 22992.93 23388.79 23186.05 22985.96 22991.96 1-Hydroxyanthraquinone 2176.65 3629.61 727.28 8826.36 276988.63 1759.29 195918.77 2625.89 7567.39 484.44 7559.94 12216.96 5205.23 1388.06 5432.48 10098.42 2729.91 3295.37 990.45 1270.19 45967.37 268.04 9413.44 10966.36 586.09 1128.15 1659.13 4114.08 1444.88 25572.76 19114.46 2400.35 1234.73 4436.07 39286.97 12735.93 17259.24 459.53 3091.64 51063.91 1697.99 1657.68 2017.8 1407.92 13965.25 231177.24 15157.32 693.44 2509.23 1572.24 4266.58 5668.07 23720.52 38316.84 8462.08 806.79 7811.99 2988.95 10032.92 1492.22 1398.33 2816.62 62765.17 87299.45 15016.11 23404.09 29359.13 4757.87 8545.81 13577.48 3934.54 3496.22 128240.08 11848.31 64799.84 15490.75 15004.04 15483.38 14926.55 13059.56 15630.36 15004.94 15517.69 15137.96 4-Oxoniocarbonylbenzoate 9821.86 15275.75 1794.39 3772.29 576.14 3307.02 1041.47 2072.44 5152.27 597.66 1173.37 2137.09 9604.85 13789.21 10704.81 2801.08 3872.59 36025.39 3386.57 14966.83 2420.08 5275.95 1488.8 1736.63 507.96 921.15 881.13 1050.61 3769.71 1188.73 17986.53 21692.75 1099.03 722.08 613.46 4729.94 485.53 1013.07 717.65 581.88 14242.14 6240.97 732.84 1359.36 14261.88 2424.82 4047.58 3713.84 2196.69 13752.82 2919.07 12670.99 835.12 3677.76 3534.25 12170.36 2515.47 921.76 327.03 329.3 487.91 609.85 1697.39 835.89 1856.14 5489.08 16939.04 742.46 2026.47 919.59 1203.69 1127.7 1945.57 3101.28 902.27 5179.55 5008.78 4774.78 4966.88 4706.64 4746.6 4981.49 4290.08 4646.16 Phenindione 10886.72 19403.98 4981.27 3908.76 8271 4887.81 4776.34 40426.6 20960.4 10615.76 8951.52 11822.3 11323.18 9164.62 18288.41 1442.56 5249.55 13534.03 9252.73 19100.99 13923.72 36376.29 6677.5 8299.25 8278.72 18652.85 5310.72 4998 17225.52 4548.56 13113.73 3168.84 7956.83 2879.08 3411.51 7536.19 7630.06 6190.11 5526.23 3193.62 7461.82 13017.64 5364.13 3563.03 7847.58 7395.21 14973.67 7533.58 4633.78 3036.84 22358.69 17505.19 4685.12 4567.35 1880.45 11093.22 2273.2 1542.56 7388.12 7191.27 1769.18 2365.76 9652.69 5073.4 8756.15 11496.7 32565.48 7213.63 15493.09 10190.22 25492.86 7511.98 3170.85 6246.17 7086.8 10240.98 11521.18 11428.27 10295.82 10346.61 10874.02 10072.92 10292.73 10951.16 1-(Ammoniomethyl)cycloheaxaneacetate 129643.42 126266.41 196225.33 183237.35 367021.54 175085.11 456392.9 184542.32 126198.71 409016.74 256227.9 250943.07 430634.33 399893.78 127458.14 232038.44 151420.61 130805.9 328843.18 31293.44 110194.95 109759.85 338055.51 204947.39 173496.6 194947.63 248096.05 263488.72 202079.12 40402.16 118362.36 425236.15 134581.07 509630.23 220079.48 186790.84 132964.88 88010.07 230148.7 294257.79 32431.24 256547.58 237128.73 318248.1 156705.15 361592.72 154047.05 244514.3 227899.45 360767.89 308474.54 183876.14 294828.96 500114.02 113484 153194.08 125243.88 108195.65 118553.19 66712.5 163443.64 192091.28 113392.2 183512.83 145001.29 189844.42 29107.83 227517.16 202584.11 142899.61 106972.21 261748.37 196384.85 218607.46 244519.19 212028.58 211941.87 212000 213577.29 211085.09 212030.38 209926.41 211585.58 210747.34 5-Oxo-4,5-dihydro-2-furylacetic acid 1939.28 2301.04 8790.55 1407.68 2137.96 2286.23 1544.63 2978.93 2527.65 2947.64 2667.78 2650.81 1642.31 2772.26 5372.59 3507.09 4988.34 8107.94 2449.29 2625.82 2464.65 1532.79 4503.33 4232.39 2748.47 1883.83 4598.16 3302.84 3056.77 1246.41 3979.34 2431.91 3542.82 4423.76 7725.81 3727.27 5862.11 3399.45 6929.64 9541.06 2052.56 2619.48 7219.51 2361 2093.05 10290.78 3811.2 3677.48 505.47 3039.04 1531.3 3161.17 5439.46 9904.73 6077.61 9714.72 14309.04 12003.99 3708.89 6336.19 8989.48 9543.29 6578.78 8633.86 10805.47 3246.72 6140.63 7434.37 5343.86 3169.95 3860.24 2874.22 7335.66 9009.8 5535.02 4595.6 4528.16 5153.66 4611.09 4324.6 4514.61 4840.83 4878.47 4824.24 DL-Carbidopa 1318129.65 446481.8 100224.14 138803.92 1381156.5 420890.54 402237.11 1430613.38 2178609.64 944662.68 597934.66 1323050.49 457872.95 681161.48 1352262.34 501203.06 531776.79 1832495.52 1277042.79 1431903.66 1948949.8 537882.67 463999.46 379083.45 2189002.27 1975809.52 797622.34 1435622.12 2595239.14 1105908.61 2674484.71 1779560.09 1254391.22 401989.8 340366.94 2305086.48 1330144.96 699130.03 593570.83 650995.97 2141643.39 3192243.36 442917.38 503830.56 2563766.6 728383.6 2458516.16 750114.8 1762243.18 2127490.12 1903707.42 597120.44 357169.84 622389.54 1649962.54 822169.33 94018.46 28538.25 857140.23 196711.93 128916.96 167417.31 355477.99 471353.57 352092.87 925007.57 499596.84 639973.71 684186.64 1488152.37 2241602.17 608926.74 500988.3 427034.68 306099.8 746676.12 767506.77 772114.64 772092.54 772218.16 771864.15 770171.11 765431.09 769913.39 1-Acetylproline 33012.25 310847.57 524206.41 94490.08 36545.85 7399.03 102165.5 51994.93 24692.13 97607.7 59712.94 121416.58 145924.36 132951.37 91770.66 249432.93 85215.47 69556.99 43073.21 19273.88 30553.92 28735.4 112963.22 132735.34 44521.86 39408.18 80041.36 60407.81 42687.67 6986.82 48626.42 16381.84 33631.16 148524.27 186076.79 56520.3 65740.52 37362.53 86464.68 166248.54 12139.35 10310.43 139213.52 128184.73 48583.64 60952.93 42794.75 95456.13 35097.16 54134.13 49205.73 127346.38 144783.31 183725.56 102987.46 185688.42 254523.46 179242.91 45303.77 56727.44 103122.96 151349.5 97287.47 234018.8 117105.45 141136.35 294204.31 92368.62 115443.98 60888.67 43525.88 70283.38 143263.7 250291.91 196536.75 96969.08 96672.34 97322.33 96954.87 95811.3 95289.56 96948.27 95801.22 96901.74 Glyphosate 46214.56 46720 2445.89 3557.75 79662.71 52679.48 13461.75 88137.94 116124.2 30127.48 3883.62 25373.86 19401.3 17902.7 63381.85 21079.2 2713.23 65828.77 40549.25 106072.35 127598.04 36726.69 9598.78 18261.41 79248.61 54094.47 7829.54 18284.82 48872.91 2127.22 92169.54 37494.19 41700.53 7304.86 4017.88 50087.1 68534.19 37964.88 7242.39 12868.37 30401.25 67516.93 6525.08 3364.27 48866.44 19203.87 63038.41 30226.18 15582.76 24032.7 41077.59 50057.22 6590.92 3037.47 18939.19 27096.91 2218.54 1815.54 40463.91 11093.17 1879.53 2168.88 45114.07 3737.86 19355.29 47122.56 97011.25 12036.7 13549.42 93354.29 76212.82 35296.59 4948.52 3550.02 3339.65 35300.29 36509 34383.71 32580.05 36148.77 33828.07 31980.73 34319.11 35212.89 4,12-Dimethoxy-17-methyl-13-oxo-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-3-olate 3478.23 2837.57 5635.34 8191.86 13825.37 5414.53 16563.98 16141.42 16055.83 2154.37 4181.33 7587.25 1905.57 2814.59 14760.5 9327.31 6176.78 18596.4 7425.66 22592.22 4200.73 3561.95 1567.7 3375.26 11238.35 9300.45 3093.38 2655.77 13426.4 1333.99 3974.99 10324.62 6372.5 792.32 1739.67 2128.31 4727.08 1431.4 981.06 2158.66 1810.77 1293.44 1797.18 1326.92 3011.16 8481.51 10334.98 2393.97 1663.06 7306.04 1536.72 1208.02 2033.34 10641.12 7001.69 3711.59 5087.69 3101.04 4999.96 6923.97 1930.52 1191.27 10444.12 3247.12 6974.05 4058.95 2610.17 1064.68 2284.83 10098.64 13907.41 2820.37 6397.95 6594.31 8097.82 6746.93 6831.81 6776.42 7792.65 6705.81 7115.41 6864.53 6111.42 6873.29 Lonidamine 1064.51 1144.69 1103.94 427.75 349.2 1041.75 1183.11 649.26 353.65 1901.46 899.8 405.28 673.83 1098.15 439.34 421.53 2614.53 525.64 960.46 834.75 909.88 233.24 1021.76 716.48 713.8 772 1706.16 318.99 343.56 425.45 693.02 331.24 284.92 1004.47 719.75 1422.34 730.1 1230.7 890.39 834.27 832.09 234.28 857.2 831.08 741.74 423.23 329.15 820.12 999.04 602.02 637.59 325.68 779.6 1048.64 1471.28 901.65 1337.99 816.58 784.22 1102.17 260.09 1036.72 1001.57 294.56 779.69 499.36 793.8 285.65 1013.84 642.18 300.78 1112.64 1243.35 810.1 964.18 1506.63 1881.25 1794.29 1783.1 1782.09 1880.71 1770.91 1841.22 1881.98 Quinoline-4-carboxylic acid 4891.52 7598.55 8613.19 13269.14 5953.98 9110.2 14102.63 1176.77 3370.98 1068.87 9979.16 6847.04 12033.7 6256.18 3987.29 6608.31 1568.42 5136.05 5063.12 3264.47 4145.98 2201.56 2220.55 8043.56 5220.5 2033.83 2832.63 5546.7 2340.93 806.99 2372.49 2510.22 1027.92 7105.69 7458.63 2980.42 4373.33 1554.36 7551.66 3184.31 2738.29 3479.13 4025.32 5158.52 2901.8 19722.86 3357.43 3296.58 8461.82 5859.14 5136.75 3398.29 5004.09 12577.97 4908.62 4517.25 5856.93 5082.13 1761.26 3690.57 4871.25 3443.41 7467.99 9933.85 4260.78 3901.31 992.97 2574.4 4217.29 4894.43 3192.61 2614.27 6820.61 8883.77 20358.91 2812.37 4583.49 4368.13 4386.65 4402.9 4581.36 4720.34 4392.72 4530.5 Barbital 4609.6 7940.26 3444.26 5834.23 12633.97 10315.13 6925.44 2259.47 6925.85 3266.29 3241.31 3672.04 1700.72 3164.86 18143.87 7428.77 7867.9 7730.46 2161.26 9608.7 4534.89 4221.87 1176.4 1938.29 9052.17 11055.72 1054.26 2108.9 3170.03 816.5 1814.09 519.42 7704.86 2651.4 2136.11 682.9 4415.23 5172.21 1371.73 596.62 2890.85 545.9 2912.83 617.45 3071.04 4807.68 5556.35 3806.22 1701.47 1942.27 3775.52 2761.66 904.02 4341.75 4279.73 7140.25 4661.68 3548.72 6635.11 20424.05 2519 1683.32 3355.12 4055.74 8670.28 5508.04 1257.24 472.35 493.82 6972.26 7040.24 2840.4 1686.96 7594.25 5025.23 4836.43 5252.86 4920.06 4983.22 5096.74 5070.04 4976.89 4975.34 5066.35 Saccharin 10215.74 13032.83 5415.79 7852.25 1792.38 732.31 2365.15 13589.94 11127.59 8895.35 2798.42 4164 160093.83 1361.66 6374.33 1681.97 5994.74 5707 4655.78 6984.2 12143.67 12279.94 2065.61 1665.76 5347 10386.88 5033.05 1361.82 6387.34 1238.15 6259.94 4723.99 11723.65 4226.36 857.26 8242.26 13907.57 12716.52 3362.64 5628.84 7064.22 17962.68 4298.57 2282.66 8204.52 5954.76 8103.19 3377.67 974.33 5130.5 6289.18 11463.67 864.38 6937.09 7213.29 14031.92 2455.5 6144.08 11446.69 11466.58 2401.9 34197.06 9912.85 3254.13 2650.7 14852.9 9017.02 3736.63 4244.9 12162.41 12739.33 5202.4 5632.95 14803.52 1124.37 5378.55 4059.86 5238.88 4558.68 5060.16 3355.13 4908.26 4510.86 4904.41 2,7-Dihydroxy-5-methyl-1-naphthoic acid 9567.11 7095.83 4542.85 3512.6 7787.96 6109.93 6501.53 11561.91 12577.99 7595.57 8245.59 8041.66 8798.47 5469.68 8061.52 9597.76 4041.18 10467.66 11052.8 12313.56 12346.28 7007.78 6699.13 6684.9 8119.63 10291.46 6795.27 5892.26 9348.94 3751.13 12021.1 5614.4 4668.16 6443.32 3758.76 6227.59 4373.08 5033.36 2976.69 3687.97 8476.14 6500.9 3735.03 3902.91 8971.15 10823.36 9738.67 8618.93 3944.65 8315.49 5513.8 4898.63 3701.2 4146.31 2215.45 3080.71 3568.66 2782.87 6173.91 1431.38 2684.87 2533.27 5205.83 3126.12 5373.03 5738.87 9502.87 5258.74 5943.89 6690.22 6390.97 5807.07 3831.94 3946 5264.63 7625.38 7425.92 9253.53 7537.33 5625.83 7257.82 7670.92 7333.02 7406.93 L-cysteinyl-L-proline 6426.05 4535.47 612.75 2406.08 10057.26 6398.62 3875.79 4249.18 5485.55 1471.59 6112.56 7061.98 735.07 6590.91 4912.32 9919.69 3732.67 18060.67 5502.85 13292.71 5227.3 5464.22 1456.17 1193.22 2203.25 2096.52 927.54 1616.63 4512.43 584.14 1426.82 10485.6 1419.49 2807.56 417.77 3457.99 1886.81 669.01 1240.84 1660.77 3763.04 6604.86 796.52 1339.14 3480.55 3809.03 3349.09 2620.51 1232.66 12079.6 3323.13 1947.99 1005.6 2236.34 3077.42 1710.37 2107.93 1636.34 1007.31 605.82 1105.76 1452.13 1111.96 1040.67 1177.68 3092.33 4202.83 1334.26 2462.38 1915.16 684.5 1166.27 2993.03 1191.91 3188.47 1276050.39 1391821.15 1127254.22 1354764.63 985818.58 1306694.06 1410909.32 1376528.98 1297759.18 1304276.12 1408163.22 1286281.09 1287246.32 1211968.24 1305176.9 1279758.84 1223842.31 1162711.09 1258633.29 1270850.35 1305312.81 1279971.8 1305649.13 1086170.34 1287704.11 3077.55 3215.86 3082.87 2234.76 3229.61 3218.12 3161.29 3224.54 3104.07 Clopidol 7650.14 13860.2 3128.56 5169.8 15731.04 18488.28 10863.27 12254.74 12715.03 12816.21 7975.45 15991.82 10770.83 6929.82 10904.45 7787.91 3450.25 21281.34 13119.47 30853.12 18709.52 15425.03 8323.39 6061.52 13248.85 14249.93 5157.74 7376.11 15000.73 5267.12 41597.66 13526.23 7668.59 6520.25 3432.74 12259.95 6568.67 9341.9 2452.77 3555.65 16169.82 15325.44 2395.02 1463.78 18177.99 8369.98 18486.7 8061.57 7339.16 13964.52 6347.14 6663.59 3884.14 3475.4 4386.59 4475.03 5613.49 1173.82 7233.89 3778.39 1584.93 1523.64 5114.13 1050.97 3413.96 9330.86 13915.82 4771.94 4585.26 11331.26 12699.32 6801.26 4492.45 4053.78 4180.76 10495.14 10283.91 10290.64 10224.95 9561.69 10092.55 10271.06 10451.01 10091.91 2-Benzylmalate 89231.48 29422.77 563.29 392.03 78696.94 1272.04 3065.1 117465.31 128434.47 4330.78 2526.38 43198.53 547.96 20125.72 74826.71 43840.08 27418.41 100667.51 17519.83 163841.84 91279.34 605.91 11193.03 13376.47 104300.67 44274.35 19192.04 36000.97 116777.41 23809.25 165967.59 45956.17 51198.05 8135.27 11355.63 69004.5 78755.84 8468.17 633.21 22816.58 85208.35 87981.55 8610.11 566.42 79939.21 19127.76 142861.16 24919.23 35231.96 77165.21 38517.19 15517.53 2534.26 12933.31 43174.88 22055.63 4615.35 2323.16 91577.79 4322.06 10751.85 6570.66 25547.86 784.57 33429.2 52964.87 50181.14 23350.23 32548.41 81107.17 101254.25 443.58 5392.74 7761.15 571.84 11769.96 17972.91 20293.35 11291.15 20355.85 9235.44 13499.23 8949.33 18981.31 11452.59 11540.16 6865.02 14439.79 8698.96 6353.06 19733.47 9910.67 14213.26 14486.61 9389.21 23400.59 33033.46 22924.34 31543.54 18347.29 45411.88 45833.5 45489.82 44904.55 45833.93 45971.77 45489.62 45746.07 45836.69 (R)-Naproxen 23786.65 4235.89 704.79 15286.97 48838.13 3027.74 45696.51 40531.18 40459.71 20248.69 16160.35 49122.86 53466.53 24660.86 27256.46 12764.37 9390.68 44172.86 31261.17 52841.84 34015.02 777.37 3579.35 19145.19 41693.13 38619.5 17756.74 29700.57 41745.98 17805.85 39922.98 28846.55 14687.97 10023.08 4881.74 39842.7 11660.86 1190.92 7403.17 4229.1 52802.87 46609.87 7800.88 9948.6 25818.89 20720.77 39913.68 25238.85 32675.92 35171.89 23853.72 16574.04 5939.46 16946.39 22990.8 4856.16 1577.62 1249.52 15199.88 592.4 5037.88 881.07 11782.54 1967.52 2994.31 47946.97 30129.89 8725.45 22083.26 24186.48 18960.48 1553.29 7787.01 1448.99 15054.41 2578.2 5386.37 4040.9 4763.38 1474.5 5793.67 4391.86 2274.61 2665.29 3015.19 4024.1 2696.59 5010.64 2468.2 5463.62 2836.99 4467.82 4821.86 1486.15 8075.26 3254.16 7203.25 3486.83 18636.92 20044.84 19858.87 19052.27 19927.82 19064.44 18936.68 19910.44 19809.11 Arabinose 7885.11 1724.73 5343.66 6001.79 10227.48 6033.58 4685.79 4370.38 11987.14 3584.67 5717.63 7054.01 8534.31 6541.4 8537.17 10155.37 3624.34 12622.05 6873.63 15229.19 2322.08 5838.5 4320.54 4327.76 3583.4 880.34 1298.01 1396.39 349.96 1373.47 464.37 429.5 501.29 2196.05 354.21 346.95 3919.36 389.03 910.96 483.7 3840.75 3879.96 1846.63 2614.78 3424.47 2463.83 7290.99 1527.61 977.89 579.83 1297.27 1331.37 1055.15 2051.6 1241.93 2140.73 2583.09 1748.9 7214.16 1142.03 3378.58 2416.93 2266.83 723.69 680.1 2446.37 3389.53 3108.97 5527.36 628.78 540.28 2240.57 1490.99 1026.25 1639.02 3454.91 3945.92 3220.82 3872.85 4150.18 3651.2 3938.38 3871.96 3853.16 Zaltoprofen 8557.31 4596.98 4843.28 4937.87 16657.7 12912.63 7113.69 14237.4 23600.25 2915.48 13067.1 10119.61 4174.35 2309.48 15920.69 14952.41 4450.74 16147.83 844.97 43930.69 7008.75 3779.72 4821.38 4981.66 9577.11 5702.67 3835.22 3198.36 9258.89 8214.67 15150.15 4249.59 1155.04 2708.69 1221.17 4315.11 7441.35 3700.06 1390.72 710.3 5943.9 6827.36 4109.02 1226.1 9934.75 3488.64 3052.92 3737.39 559.79 1607.56 3817.27 2791.07 3683.43 3482.15 3747.4 3272.78 498.04 2711.52 5207.07 4706.8 1379.36 2963.82 549.91 3224.23 3916.33 6048.46 3868.68 3920.27 5085.15 5245.4 2267.21 4935.08 4391.01 3738.89 1856.16 4275.59 4635.53 4465.52 4455.7 3878.71 4411.76 4275.52 4247.75 4849.58 Ribonolactone 23017.42 46919.21 106527.11 47809.39 61072.95 2343.62 35615.21 17804.48 66026.06 29565.1 56036.69 14095.9 8993.53 19716.1 35224.61 66204.83 55620.32 31697.19 14395.65 1694.45 23901.35 897.21 15173.29 31719.24 43449.68 66522.95 43660.17 16244.43 107911.84 16854.83 2226.79 5532.3 23656.17 11148.81 19690.17 18921.89 37531.59 12487.61 9036.31 44391.34 2545.94 6470.68 19698.85 15428.59 15179.57 80293.18 12576.29 19125.23 52941.46 23042.61 7243.73 22382.92 18306.58 40901.97 28641.78 33959.06 323078.54 80991.43 21468.12 11164.73 15616.25 5318.19 38125.59 88932.69 33898.97 61484.75 21972.96 99892.47 27547.61 30341.02 24231.35 19218.31 37944.66 55775.54 50299.88 7662.49 7322.23 8251.97 6354.33 3653.18 8632.54 11879.99 5362.57 10813.35 19209.24 8700.95 17996.25 6360.86 3555.2 6033.52 4620.62 11564.89 8878.65 28350.72 21089.7 19864.38 6891.74 26326.99 31435.6 30735.06 30598.2 30590.67 30602.19 30628.42 31431.94 31011.64 31524.93 3'-Dephosphocoenzyme A 2751.33 2407.15 7111.93 9675.11 4513.69 2822.77 7611.66 1368.59 2953.88 11498.82 7508.04 2487.21 8941.37 11907.31 9364.22 6413.35 5534.79 2773.37 10798.69 2061.36 5842.86 2227.49 8223.72 12618.53 3164.24 4446.65 9982.55 11422.32 5933 10945.87 6135.45 6214.75 8459.71 10161.55 11099.99 8023.42 9732.61 9749.78 12006.2 12599.06 9413.19 4347.9 10414.89 7927.12 8296.57 9704.62 4519.23 11267.91 11383.63 9078.01 7256.58 10073.31 10048.99 9146.56 8337.33 10426.98 14027.18 11860.59 11496.69 7673.05 8854.26 9543.57 7604.67 8068.52 12026.1 8836.02 5737.79 6536.43 9172.88 6638.54 10855.61 9592.68 12927.24 9807.76 7505.78 8615 8940.21 9159.67 8107.89 8636.43 7825.03 7521.21 7074.08 8640.5 LPE(20:5/0:0) 13648.47 16997.88 10636.5 14971.11 3969.65 69812.89 6598.74 7310.34 14643.98 18958.68 15456 14486.89 42934.88 10390 32178.56 41266.77 8794.53 12448.47 73908.85 17981.93 1910.58 98740.28 22448.68 11797.73 3530.67 94804.57 14780.66 15986.38 58049.14 45496.41 19023.3 30325.53 20661.16 24862.26 18288.75 17222.68 16150.61 41521.62 5482.17 5571.99 26388.28 32987.31 19958.34 12165.89 28958.91 41568.1 41523.85 9238.38 40592.13 42534.9 13342.65 46215.71 21745.49 23022.2 18809.3 61926.72 15992.11 9489.68 35433.03 37057.27 10869.51 25122.51 15399.7 19294.42 13671.24 21727.23 7651.14 8100.08 13523.3 5425.91 25698.47 32881.7 1002.15 18288.11 18970.86 28114.42 26441.79 26134.18 28411.6 26635.53 28744.09 28262.26 28665.96 20466.98 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid 4351 8104.31 2773.1 4178.99 1411.69 2181.02 852.09 2967.55 2870.56 7860.9 1941.72 7100.99 1170 3978.24 3840.39 7949.43 2957.99 2314.66 7308.49 496.96 3216.76 4980.62 5485.49 7811.05 11365.21 11390.2 5565.02 20035.33 9434.87 14687.54 10228.86 23577.9 12195.58 8472.01 10206.17 13258.65 8710.93 12776.83 14808 6285.06 5925.75 25247.89 9049.01 10829.41 11655.53 3363.08 7866.28 3959.23 13556.21 14849.74 5798.39 16387.29 4814.58 12939.98 6613.99 5887.23 3145.88 4016.6 6184.64 6254.19 5974.21 5862.26 3420.38 5534.92 11609.35 14148.57 1918.18 12805.96 4903.29 2011.08 11596.33 3960.44 12319.58 8924.31 6867.58 8552.8 7977.02 9602.77 7946.39 8550.79 5527.15 10084.93 7363.85 8594.07 3,5-Dihydroxybenzoic acid 5195.46 8010.19 3775.37 4762.35 5496.85 14119.52 8157.04 6602.55 9191.3 3192.71 5989 6247.53 5183.35 5750.6 7541.29 5344.72 4181.71 4481.97 7034.59 10245.33 6316.15 5951.94 5822.68 6039.51 3012.92 7243.13 2306.7 3949.7 6713.7 522.68 8078.32 6039.57 4373.5 2608.99 3260.86 3471.14 2754.05 4847.73 1314.02 856.92 3267.62 4815.22 3394.99 1430.16 5625.8 4920.14 9109.67 5652.89 4248.69 5026.62 2995.81 4433.34 2567.64 4887.35 1161.49 4921.67 1496.31 1581.83 9860.69 1668.45 1307.18 672.87 3907.6 3348.83 3912.65 3239.65 5707.48 1091.09 3886.04 3661.8 6088.13 1839.92 1605.82 3749.24 3932.99 4612.44 4738.41 4654.47 4786.61 4518.15 4748.65 4741.49 4655.87 4737.8 Asparagylalanine 1142.82 2358.18 4965.11 4648.98 5699.97 2738.74 3680.14 6440.45 5615.56 1855.67 1947.5 478.81 460.2 400.91 6046.96 3303.45 2512.13 4297.86 2514.94 2210.75 1766.06 1392.33 1201.83 3158.54 7800.37 2951.37 3615.03 1095.46 2182.12 1833.65 994.41 1142.63 2142.83 1505.51 465.84 751.28 2959.19 1207.66 1520.59 998.35 1964.42 434.91 1148.04 1322.08 848.81 746.82 1064.23 801.02 858.59 1107.41 854.36 508.62 1692.86 3065.03 3623.01 754.15 3613.13 2707.04 1554.56 481.72 411.01 1572.77 4451.16 866.68 3663.84 1878.45 966.27 1344.9 574.32 4563.65 4646.64 1227.77 1340.37 3327.09 1269.47 2260.37 2095.77 2040.02 2200.84 2065.94 2178.56 2043.17 2061.65 2229.04 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- 340.47 984.39 563.84 2376.4 874.1 3542.9 1676.59 543.33 2635.45 350.71 2430.62 3786.03 4546.51 2351.92 2243.68 2833.04 2224.54 22602.08 8111.64 29867.92 1606.88 262.47 206.43 1526.76 470.34 633.3 1313.65 1151.91 4974.41 1404.44 16498.26 6502.04 246.35 235.6 259.83 1218.32 774.51 1102.7 241.82 198.21 10799.13 1319.66 1279.26 960.45 11088.13 3826.91 8054.32 1432.61 357.89 5883.95 1795.17 664.69 1257.07 1545.4 1474.3 1279.39 210.62 545.94 822.43 733.03 676.82 228.43 727.16 1252.96 394.11 239.61 3023.31 971.35 1337.11 419.17 1827.48 284.17 1013.44 920.6 3930.54 40166.97 59178.69 29961.53 36038.71 39204.91 36788.39 42504.02 42953.69 39373.52 27198.29 31496.06 45218.16 30621.36 43501.45 30791.58 30452.62 33346.87 43334.86 49672.67 42589.65 36225.8 31945.0 44406.1 46890.21 49702.59 3806.98 4011.1 3964.54 3802.39 3757.99 3918.69 4056.92 4014.07 2365.36 Hyp-Ile 394816.61 615118 1112643.41 1032220.5 763320.62 880321.71 1014240.41 717780.65 892140.34 1181592.69 1158196.19 1490721.29 1436275.29 813814.18 699309.78 1549895.94 913169.61 812480.16 2093793.89 1136576.43 921225.31 480445 1067822.51 1092764.08 644511.88 834110.99 1203189.85 1216767.78 941618.69 650063.93 1070170.14 1586816.8 595844.58 1300224.65 1176252.86 499948.85 555386.96 615906.85 776225.08 889883.3 1013065.64 888571.51 1231825.75 690575.66 692976.11 1082082.88 702431.99 1595489.29 899439.67 1843218.42 510009.86 575267.27 1436311.98 1714500.14 396302.67 643416.39 754550.07 641045.2 573113.33 427742.23 624405.83 661206.77 448364.32 1428082.96 1476491.19 656963.37 776188.26 885618.8 838195.28 745055.63 801194.68 1420450.56 1182493.43 1260437.46 1023752.93 1075590.22 1074162.16 1043980.8 1063946.47 1047448.34 1048187.78 1051182.19 1043827.65 1043736.27 Aconitic acid 5195.35 12415.93 14820.45 7594.67 765.58 8997.03 385.76 5735.44 614.71 785.91 5115.12 5377.99 438.64 726.43 8784.3 4727.79 8973.26 1006.78 811.2 5386.32 5234.9 3056.26 2987.81 670.74 3241.41 625.54 2827.48 4775.82 3532.89 6618.91 1873.38 7377.12 46053.14 3123.77 11794.42 2784.2 2870.63 1776.84 4993.36 506.18 6239.4 3427.97 1138.76 5762.03 2804.94 7727.82 2689.56 37305.59 6460.81 363.07 2697.26 1081.99 639.97 5430.52 6076.73 27829.35 3874.47 7460.19 5305.46 8171.12 3593.94 3565.78 802.87 8973.19 41769.32 4067.53 3822.61 620.78 936.32 370 1234.44 2419.62 3101.13 26285.69 11465.41 4100.55 3929.34 3368.46 907.51 3204.45 4585.67 4518.37 2686.37 5200.32 5578.52 4278.81 5892.84 4545.38 2966.67 5085.5 1779.65 4873.34 4357.14 3011.6 3019.71 5607.8 4999.07 2474.93 8053.81 3758.51 5026 5993.23 5411.31 5467.44 5015.92 5176.21 5390.37 3507.93 5298.32 2-Aminonicotinic acid 34575.13 10611.83 24544.3 53883.75 19357.14 3875.9 48574.7 36742.16 8890.3 10364.52 42143.62 13540.81 161287.36 10108.76 7830.83 11220.81 25324.39 8637.31 2657.64 3884.69 18495.52 1229.71 20058.17 11975.69 29441.37 14397.75 20713.67 9495.82 21677.87 7245.11 10415.62 7573.3 5692.67 11866.28 10227.13 11201.06 22588.32 8226.48 10393.78 40907.93 6648.98 9617.44 44298.72 5910.88 9159.03 267973.89 9281.69 10737.16 13711.8 14942 39580.99 19689.62 51435.13 91532.34 47071.88 29551.04 46843.63 11622.76 7109.47 17063.61 40260.89 17073.71 62973.95 50212.82 28128.06 15263.59 27528.46 45391.66 11262.06 39491.11 38227.27 16140.39 12439.48 42950.46 42651.36 33762.43 29640 33465.15 29744.57 31979.76 33820.31 32409.45 33805.76 31195.44 5-(3-Hydroxy-4-phenylbut-1-en-1-yl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one 407.68 8452.1 6916.91 75184.88 1121913.02 803902.88 530945.69 2100.15 8788.19 12549.79 7010.55 1634.65 45757.39 236.22 11390.1 26721.12 6624.9 17755.94 96.66 205.22 672.48 9403.97 13164.44 13775.63 8132.75 34474.84 8575.01 160.79 794.26 1309.95 17700.29 11374.62 15470.77 868.43 130.52 81.11 129.12 677.26 257.03 99.61 201264.99 18645.39 7139.41 8154.43 5749.69 33730.8 14282.21 13032.72 94.78 600.4 7144.17 12281.8 144.63 6105.95 13042.9 114.75 11104.17 8505.56 6619.59 24120.85 13452.25 5913.54 80.35 138.67 16356.19 1415.84 14485.84 436.14 10124.76 8699.06 11634.24 155.28 9339.87 128.85 11952.02 57256 55575.89 59287.91 55821.36 55362.57 57033.04 55047.01 55040.7 56857.11 Deoxysappanone B 7,3'-dimethyl ether 247566.91 392527.15 586470.28 223986.82 205731.83 425277.74 265074.51 266771.68 373195.85 254897.98 176356.09 90864.02 384696.97 121565.08 585399.43 443027.68 612235.55 246398.13 308355.27 399651.08 287548.54 1481524.22 468159.4 135011.47 322896.41 387128.44 195840.54 652914.69 690106.42 286432.22 168452.4 312847.47 1268042.89 278979.85 501843.49 343170.92 225039.65 1057395.21 435009.82 240581.78 377846.09 344400.82 564313.88 615775.43 546283.68 403608.11 921368.81 300795.76 229430.62 802011.98 315092.11 708499.95 421725.25 682927.1 371843.29 517015.53 326987.16 849515.07 601899.41 783362.48 720565.38 415070.47 371115.77 429901.8 493101.04 216815.1 414612.14 428212.38 200113.88 273204.77 564202.59 327683.33 513945.26 408275.93 336353.09 385714.46 367023.16 356785.88 385686.15 367432.23 372879.81 380811.02 374737.69 356009.97 spiperone 315281.15 383189.4 199471.93 128769.01 273842.25 359647.86 138140.4 16440.61 400105.67 222572.09 259227.48 467497.99 588159.93 457476.63 322642.2 344223.76 210744.5 589094.29 522029.11 735623.56 367082.41 250039.07 245989.95 212313.84 276069.26 126489.07 130301.23 276713.84 428300.28 228684.99 1122290.36 840815.44 240580.09 208600.09 159149.33 303261.47 176392.77 190719.1 128378.49 4345.41 498227.95 581363.2 196758.45 177637.83 128990.41 315102.95 396752.03 348270.77 430656.11 969092.36 16404.18 436865.56 226167.95 358592.58 196630.99 362842.95 191331.7 4999.03 152100.99 123650.66 40200 85317.24 225645.17 139518.77 204202.23 354787.68 701486.78 196795.59 211878.57 204577.83 219644.18 181345.41 178974.42 246843.52 234623.23 333614.07 326664.72 329117.48 327348.68 322611.89 326753.49 327370.67 329149.7 329176.64 BW-245C 714013.85 814138.09 910885.49 839821.42 813984.78 610811.27 914153.92 768202.43 171023.4 842604.83 1096456.95 926293.93 756658.82 803381.38 798104.07 984607.12 822916.78 836896.09 788109.97 521930.81 846717.94 790791.04 1069203.31 1042430.27 1101899.81 904165.72 953752.88 832418.11 946467.07 909591.55 688987.89 839040.42 976462.15 1048380.27 1025898.89 950682.37 1101505.26 959751.12 1019525.76 1227173.57 645836.97 851456.18 787931.5 923605.74 920269.88 1073610.05 792381.25 850408.24 782759.16 676547.96 940235.12 748009.84 758576.81 694509.2 985755.3 868864.54 1163648.23 898865.61 842088.41 738352.76 1126517.16 763360.19 1013523.76 950947.23 915813.89 935332.05 640175.95 896515.23 948971.24 1042045.49 788300.98 1022919.99 868765.84 919979.81 831917.23 999380.71 991129.48 987488.87 993446.71 993534.73 984942.65 939047.23 993666.75 984975.61 N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine 2663.22 19082.17 5520.07 6267.06 18363.51 33556.16 11339.89 13735.56 18328.01 6391.49 12088.45 9967.75 1561.18 3753.7 18238.08 14009.13 9063.27 22890.61 9269.27 20660.32 16397.35 17786.3 2728.64 7916.36 12439.69 9945.7 5283.89 3496.69 23553.83 4592.91 32851.23 6391.02 4118.46 2157.9 3181.71 4350.3 8185 8792.52 625.47 2786.71 11763.57 6201.24 3718.8 1400.69 15339.73 5376.02 21722.83 5017.06 3244.91 6049.86 1572.17 5596.44 3466.01 5412.13 4943.69 8336.07 4224.55 5084.07 11150.89 8500.82 1116.47 883.86 6355.55 4805.52 4830.76 9592.15 14129.88 5750.12 5657.1 7674.85 8191.19 7384.98 2827.72 4591.9 6398.81 11699.97 11697.38 11439.81 11522.33 11438.52 11675.45 11690.88 11544.75 11656.44 N-(dodecanoyl)-sphing-4-enine-1-phosphocholine 623925.31 615913.2 282212.03 230843.52 388096.04 2382862.33 249337.88 394217.4 1022326.81 2168.94 8510.34 1371081.12 2507.07 291942.52 539795.42 677.51 5662.9 528297.24 593137.57 1228399.13 1040220.35 137395.48 304372.37 244165.63 527070.54 797619.58 274699.09 277933.72 665295.83 179673.17 1461103.19 258579.48 1115886.72 834.72 728.9 994433.14 574662.78 2369001.49 1690.91 187746.87 380252.28 1331402.85 221430.28 178287.36 1554817.66 854.83 1281596.35 1356512.45 539129.2 740882.56 994607.18 682027.17 248117.32 322714.8 1077909.54 845713.15 172400.99 118841.8 318680.8 573662.17 197918.85 2568.47 1333792.78 2326.97 2314.95 1403215.43 664970.36 248122.87 302227.56 834872.4 823088.9 1638.91 767.4 245973.9 2564.47 547576.13 544033 546823.03 544076.91 545474.72 535993.73 547512.63 547518.31 543989.41 Bisindolylmaleimide IV 5474.82 9165.86 4675.04 4348.56 10564.05 3868.6 7497.31 13210.41 16298.58 19486.28 11860.4 17104.09 12760.46 8052.05 9183.93 8917.03 3723.22 3028.23 43123.03 990.67 12161.26 1132.44 17477.3 13100.97 15144.76 14156.05 12669.78 13115.89 8521.85 9539.95 13556.41 19692.41 5492.64 7020.07 5366.36 12928.47 7871.93 4218.79 5613.16 6545.45 18692.36 16056.53 6793.99 6753.82 15710.1 10254.01 11806 21370.69 15899.32 8053.27 15109.43 9454.85 12843.29 10376.26 6454.66 7668.76 6008.33 3243.31 5824.49 1453.22 2254.02 2438.57 8371.12 5149.16 7738.11 9685.12 20004.84 11656.9 11998.34 9220.63 8553.44 12357 7593.15 6041 10684.58 18503.75 17724.23 21045.72 15146.2 16452.26 14270.91 17437.37 17150.93 15915.23 Ascochitine 2733.41 8845.49 5223.23 10419.75 12469.47 10153.92 14022.06 4213.74 6421.04 4032.61 3321.66 14298.64 9753.79 2319.74 14566.21 13423.3 4617.16 5163.4 5420.48 2097.46 4307.85 1673.1 2138.06 7867.35 4666.14 3428.37 2241.74 2085.17 2855.28 406.18 2191.74 7692.54 1345.98 1474.4 2514.79 903.99 2829.75 4630.48 1192.65 1893.33 3707.19 1612.28 6441.2 1460.58 3468.81 6277.88 7888.09 4927.61 1108.22 6054.58 3029.72 2952.49 4913.13 13903.12 3073.98 6688.64 5813.79 2956.41 2332.83 2403.23 2648.57 2604.89 6237.63 6869.96 5156.7 6920.05 2539.35 1324.3 5314.46 3363.91 2009.23 1686.13 2150.97 8443.69 9147.45 6069.14 6067.74 6130.66 5104.94 5915.75 6083.29 6098.54 5742.47 6079.84 Rotenonic acid 2834.25 10976.56 2925.63 285.12 14147.39 489.65 3775.16 10104.06 15571.14 2567.56 6286.38 7198.56 3701.71 9768.14 10038.91 11692.35 2803.15 58976.18 30523.65 87626.53 12583.81 5079.3 2989.54 4248.66 8141.66 9590.82 4709.74 1822.58 14445.1 729.94 58229.27 34914.17 2357.14 713.6 733.18 6417.74 6367.75 3802.63 1576.8 3927.89 33889.48 12231.22 3043.21 2057.32 42670.47 19818.33 22677.28 9593.14 4039.61 18711.09 4519.65 5281.58 2245.12 6460.79 4519.21 342.19 2493.69 2487.78 8271.51 3444.53 883.77 2242.75 1926.28 2808.85 5711.79 4839.65 8107.43 2916.85 5632.9 5568.87 3366.89 5754.05 2527.81 5414.48 1387.88 11499.33 11503.3 11504.71 11393.2 11222.45 11405.81 9699.52 11506.13 11152.76 8(9)-EpETrE-EA 20984.8 28269.84 38161.41 203133.33 3553833.41 678876.01 346339.02 26049.23 18908.37 33537.76 22515.51 10047.18 168145.93 27790.42 26098.83 23929.87 31742.4 23780.46 22263.34 20533.38 22576.34 24954.97 31989.14 27727.47 30122.22 30210.86 19141.05 29993.37 18426.46 32829.39 20753.67 17616.36 27081.59 26421.67 33810.98 25741.06 35768.11 33648.28 28327.58 39267.87 613347.76 53616.13 29521 39719.6 29340.27 18269.48 25169.31 31556.15 25073.37 26832.48 20397.24 20990.97 27642.89 19747.99 19431.18 27432.77 39900.63 29936.49 17783.39 82923.59 34413.42 24518.98 31460.58 34207.44 29431.2 19195.83 24358.75 21728.93 21842.66 22815.86 33962.2 29077.42 23587.62 25186.49 27562.24 102382.87 47301.41 102287.77 94284.87 92120.98 102407.62 95820.23 95919.94 102161.71 Gibberellin A79 23862.85 111929.1 130953.73 149972.6 59767.4 39067.96 192155.51 129306.8 128845.2 114613.45 210190.27 256734.77 231966.55 125855.64 22344.08 221011.28 118382.96 98554.57 215611.24 131811.62 131632.71 92006.55 206254.06 143395.9 108357.29 109228.67 128649.93 132407.94 101866.47 93918.19 109394.05 189047.01 68058.1 124050.29 105945.62 69698.06 77164.43 74376.13 82679.93 73079.53 70384.93 71741.29 97228.1 66561.61 97507.47 133392.15 105093.92 140272.15 111788.97 211486.56 56634.65 57594.13 91978.97 135481.45 56741.06 69213.98 128316.42 54585.87 78713.1 7626.55 71609.5 113562.53 42531.51 112977.23 108640.71 84950.84 97379.12 92942.47 103224.67 55273.79 225755.51 108874.31 114823.37 114667.3 213443.88 8579.73 15223.6 6463.37 7624.23 8315.06 7999.64 8277.48 8354.72 9196.31 7567.39 6905.94 7687.82 7430.5 8279.69 8524.39 6416.09 7296.51 7131.5 7811.88 8376.95 8715.18 8117.2 7457.37 7246.87 7335.93 119875.92 117019.75 118201.24 115699.2 115463.59 117017.4 115413.51 115819.1 116474.63 (2R,6S)-2,6-Diaminoheptanedioic acid 37918.07 37818.19 36156.89 40767.42 50263.1 37241.23 43628.16 37177.01 41941.2 41038.09 42634.28 38438.02 39100.96 36772.78 45194.51 44325.1 37331.04 51510.72 46328.2 86120.68 44892.7 21548.22 33647.68 39860.52 41815.79 44779.72 39024.2 38297.5 39234.25 29735.3 41703.14 40371.1 39878.65 34090.09 30638.03 34381.65 43814.7 41450.63 27387.5 33696.33 41192.61 39905.06 27855.26 24442.04 41389.08 33242.42 42234.91 35065.24 39570.63 48112.98 38117.15 30255.31 28244.04 36278.34 37032.42 31796.59 38137.67 37840.42 43985.48 49262.61 35458.09 29773.38 39453.53 40401.91 44813.17 44651.12 44361.77 29702.49 38575.56 43902.16 46464.7 44101.83 35705.35 46801.4 39658.49 9708.88 11047.41 11174.04 10796.47 7494.01 10809.89 12564.19 9855.13 9433.43 9925.84 9868.28 6056.11 6748.27 7856.97 8004.13 8054.66 11679.25 12639.76 10420.02 13432.03 17594.77 18236.86 21231.19 25938.12 17984.93 30944.71 32880.39 31817.16 31837.61 31936.65 31803.66 31817.06 32431.91 32430.79 Tyr-Glu-Gln-Asp 15836.16 5152.96 466.53 1700.33 20405.84 4076.57 8108.51 1971.4 22645.9 5634.19 4345.31 4258.69 15632.09 5226.12 15610.85 16505.18 13797.19 9126.91 34998.34 19020.66 55216.98 5825.14 1129.51 3207.18 46467.61 17590.16 956.46 5917.56 53952.49 20368.15 27379.92 68702.69 69415.96 15054.52 7530.28 45141.52 20794.6 7768.69 3246.17 2853.91 25803.05 61555.23 10218.64 5229.79 57335.14 4307.23 54184.69 7390.95 23591.33 48175.21 44656.36 13104.36 11384.31 5368.37 12482.13 11811.71 940.89 1527.8 82786.69 4295.21 3193.3 3122.62 15449.29 5134.44 17854.49 17544.6 15688.28 3788.21 8332.58 33977.52 30295.26 15847.63 19189.79 7623.94 5198.93 13300.26 14074.08 14095.91 14901.84 13795.64 11937.31 12231.8 10714.07 10427.06 1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine 3206.76 4708.86 11661.64 15543.04 8176.93 5630.21 20949.19 11557.57 4506.39 6935.38 20715.32 32717.37 25382.1 14120.73 4839.56 25306.18 6991.2 1923.72 16009.04 7554.75 7610.79 5592.81 15484.29 11140.17 3668.25 5300.82 15278.14 13131.27 3648.32 12882.77 3425.09 19410.64 2490.33 20320.58 21198.22 3214.03 3231.23 3875.71 14149 13200.13 707.46 3099.19 11085.89 12706.23 2382.6 9045.67 7613.71 10191.38 11102.12 31536.77 2338.99 6049.22 18063.69 16587.65 4466.91 4669.33 8146.08 6081.38 3498.68 2523.42 11983.3 22178.3 2794.99 25365.83 15797.12 10812.63 7749.38 20917.79 27368.32 6413.46 2828.46 20874.25 19651.23 15344.01 24646.96 86646.03 39036.83 7861.67 58956.45 29046.06 16229.82 24345.25 32505.2 29352.4 18818.04 25026.91 45683.26 19497.27 28386.11 17876.14 14086.65 31674.23 40289.59 5920.16 42400.36 99028.99 9618.89 8997.84 8723.52 9106.09 9280.74 9149.48 8790.83 7590.35 7197.96 4-[(1-Oxo-7-phenylheptyl)amino]-(4R)-octanoic acid 715.34 849.95 9161.91 11028.57 57907.96 38086.82 49633.8 1163.6 425.51 420.85 576.91 441.71 12495.39 837.43 1104.45 2184.94 912.05 654.91 1414.08 658.42 2199.93 71453.27 907.93 1204.62 929.35 212.19 1305.66 802.3 5154.58 418.4 258.45 1195.98 2796.73 1981.2 1379.83 694.37 154.22 2201.17 695.38 211.84 22558.72 2158.59 373.51 428.12 1016.63 19763.58 617.7 3277.48 114.57 783.32 1728.67 1174.18 1062.11 1043.12 5434.39 1255.13 2496.42 1731.18 365.71 2447.64 631.93 2001.67 648 3945.8 2108.91 1084.78 897.74 820.6 451.64 1393.91 1065.23 252.65 574.91 4243.68 4934.05 7382.27 6593.75 7022.44 7382.81 6997.89 7149.22 7474.73 7198.36 6977.24 Halofenozide 412488.6 115635.84 2062.49 3310.28 376988.47 5140.9 43456.78 1608492.83 1261375.3 218000.53 105105.54 144419.18 17633 60070.85 323541.28 83365.01 49343.33 441181.5 175343.92 689801.54 705124.48 8646.67 34803.12 19663.68 877042.05 280366.69 106065.25 213751.66 752493.36 506624.81 1230308.16 70099.43 60182.68 10956.41 11221.37 310000.44 198458.77 17993.97 26622.41 19603.57 383394.87 364036.05 10371.49 10252.42 240190.12 21953.6 429374.76 49557.86 152548.65 166481.85 128657.85 37064.61 7036.26 25342.19 144585.64 19035.25 331.98 801.82 394898 7499.18 5300.66 2506.65 53115.43 13981 90932.15 348987.64 286759.63 85373.33 131122.81 371676.3 639291.32 81373.63 122438.65 14129.57 31653.59 218849.71 219020.15 249949.31 219213.1 209130.22 208256.21 212419.92 210575.6 209360.47 D-Phenylalanine 8616.92 7845.16 3480.16 10920.26 17363.76 7322.36 38098.89 5606.16 7509.09 13362.89 35152.1 65212.88 56076.82 31926.11 28745.4 27318.28 22323.1 5802.92 17692.49 728.74 11379.42 8218.77 26676.9 30672.6 16164.23 14963.97 25100.65 47685.72 4424.99 7369.19 8379.17 24522.8 7951.38 34066.76 32919.81 9014.21 11366.03 12359.34 22873.34 11476.31 3843.1 23582.74 20984.01 17869.89 6656.35 24416.21 2109.81 10088.45 16732.38 29282.22 14014.08 12123.9 24259.87 43642.57 13046.86 6035.8 15437.65 12868.55 6378.75 1934.52 13971.38 11051.35 5774.43 24943.94 10517.23 16507.45 9214.45 24558.34 22006.09 14616.79 16042.07 17270.04 7211.69 4027.48 36027.42 13352.17 9748.23 15138.06 37669.23 16665.26 14283.77 21020.5 9076.45 8725.26 17237.02 14814.5 10086.76 12072.65 9252.29 18234.41 8159.55 24727.7 24651.61 10789.82 15939.96 16110.39 18160.61 15813.35 22969.65 10336.46 17228.52 17598.16 17825.66 18265.48 17201.94 17669.22 17665.26 17198.95 14896 5,8,11,14-Eicosatetraynoic acid 9757.75 6083.69 1474.36 1824.73 12594.14 8816.2 6254.73 11303.59 12092.77 8172.83 6973.53 13428.76 11923.13 7542.44 8528.6 7207.05 1478.41 11374.04 9607.17 13369.57 11496.34 7483.7 2738.09 5213.48 10468.28 10055.12 4887.35 4176.46 15241.22 6311.44 13983.69 10984.98 6169.88 6329.71 3970.15 12781.73 9241.91 6477.14 3841.25 2279.96 15361.22 16057.08 1981.23 2942.33 11408.13 8234.25 15278.2 7927.28 9480.2 26574.53 11311.16 8742.95 5139.34 6082.37 7079.74 7100.71 1134.46 523.55 8326.37 1187.77 2985.1 1738.52 6177.24 2182.26 1947.27 10993.79 11636.1 5342.93 5959.88 8337.06 8177.81 6747.5 1916.65 4145.53 5714.52 8624.23 8555.23 8636.17 8540.63 8625.61 8576.96 8362.38 8858.34 8542.51 L-Asparagine, N-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]- 17523.21 32740.35 26662.77 42985.6 15843.46 5049.52 52277.76 9093.42 12767.71 6027.9 13077.11 62560.73 46529.74 37945.29 12269.71 52139.2 28146.47 14210.73 86169.81 4148.9 12397.33 28865.9 16178.83 20994.54 12132.35 4800.78 5861.39 6931.97 6241.79 7853.31 31109.61 9403.54 1053.43 2013.83 3965.19 4327.28 6551.89 2872.44 7141.74 3161.49 4648.5 8003.67 5558.45 11285.38 12233.87 36155.71 11505.42 13970.17 7505.25 30915.99 4305.64 994.41 1575.38 10260.26 4340.81 6291.92 25022.81 3937.94 1702.68 1524.71 12120.47 5912.01 5180.28 6024.82 3817.79 8563.75 9410.3 24210.23 17985.51 7832.16 1493.19 9981.8 4591.27 6444.53 55021.98 15456.62 14941.03 14592.62 15016.18 14572.19 14265.25 14979.43 14615.64 14629.77 tetranor-PGDM-d6 26271.88 40183.86 40153.25 41842.92 42771.14 92653.96 43188.14 39212.75 35567.91 38542.13 34828.33 19170.74 60906.3 29425.29 40424.67 50047.14 21380.48 11268.37 51277.2 25511.39 52706.31 21136.8 40741.54 32123.23 38299.81 40268.77 28069.34 22335.06 52423.54 12985.43 45070.85 11984.48 45824.21 43934.16 30953.84 12684.2 36206.9 52989.27 19567.88 7030.9 13104.11 45868.1 13406.05 30084.65 40376.68 33151.65 42687.93 3279.61 8068.46 49875.81 11155.82 16290.63 12983.23 25940.92 23223.23 36027.91 20976.97 29787.53 36195.39 32233.92 9982.86 19526.57 28476.69 34481.81 20138.35 33193 66907.37 15570.15 24315.51 32280.19 36175.57 17816.16 25135.34 46624.78 34878.05 36952.69 32530.91 33552 32443.97 33759.77 34638.87 30248.23 33755.97 32596.03 Fenhexamid 882.53 1010.7 8278.39 1887.69 3155.51 2184.43 2994.9 720.18 3528.99 2168.93 2014.95 2609.88 3200.96 1220.59 1240.78 1199.98 703.42 2430.39 1615.76 662.75 2956.93 634.63 779.47 929.38 805.26 3304.28 2535.06 4588.48 1965.83 2269.11 4803.72 1986.59 5658.87 14726.62 1887.12 2555.9 3089.22 5265.75 1757.02 11605.11 3983.85 3573.35 5727.04 655.42 1691.03 9370.64 4547.33 1620.6 2156.19 1823.95 1863.57 987.73 5030.89 20055.98 1427.97 1447.89 4433.87 14764.02 1946.38 8209.61 4906.74 690.84 3228.73 13632.93 1843.97 851.45 2299.89 1894.05 1197.43 1574.09 1843.38 703.79 7523.27 14670.94 3659.05 2006.01 1777.14 1923.25 1989.4 1156.8 1870.09 2007.75 1819.24 1849.12 1,3-dihydroxy-N-methylacridone 6856.78 6068.8 9137.91 3580.07 674.64 2139.13 1324.66 3485.48 8379.09 9535.4 9743.6 6370.36 6425.72 5864.98 33776.88 8770.65 4269.39 9561.78 18344.09 2291.5 2641.88 23537.92 9020.65 5563.94 10243.88 4557.8 11145.61 10077.14 18333.94 5161.67 1254.34 2210.81 11108.99 10030.21 9772.71 6374.59 9781.3 9619.19 15302.91 21128.55 5317.57 13147.29 9173.75 14360.51 5353.28 595.4 17205.29 42704.79 10777.52 7853.11 6482.48 2429.1 9459.81 12864.39 7265.42 9039.64 12945.79 12639.62 4751.99 3637.91 5275.14 6453.28 8451.16 14405.22 9443.76 14837.5 3693.3 16453.1 10248.17 5253.43 9664.74 9464.65 13202.76 17179.35 24579.7 7659.12 6341.75 7009.95 7161.36 7224.24 7253.29 7317.25 7679.45 7715.78 2,2-Dimethylbutyric acid 9789.37 11685.38 16786.03 19290.8 14887.19 13070.1 26826.11 16014.6 16798.63 19470.66 30330.18 34534.18 34046.75 20473.63 13396.76 33544.77 18196.65 13076.09 37772.41 20709.54 15790.55 632.21 30457.85 22914.68 16047.31 16710.65 24534.31 27468.54 21611.32 11797.92 23469.72 47969.28 11729.75 29831.45 21010.69 13924.34 13068.18 12467.85 20139.76 18389.54 16528.55 22958.17 25695.62 16270.69 17402.6 23789.34 18178.25 29699.99 23229.37 48072.11 9241.53 14747.77 27615.65 31149.54 8656.36 11804.47 13399.62 13495.74 13095.01 6436.72 14868.32 14768.67 8532.88 20078.39 23433.09 13120.61 16671.56 21569.37 19422.61 13358.12 14288.52 23511.78 22582.79 24616.05 24263.6 20557.67 20666.17 20497.45 20497.86 20557.54 20328.38 20497.54 20557.09 20507.11 2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate 2296.69 20284.3 17675.72 16716.27 38132.74 3081.32 2097.83 3298.93 5806.06 5942.4 16065.41 12412.83 11121.93 1673.88 32198.25 28053.81 19617.34 14317.13 23290.3 9001.75 2722.93 3238.01 5336.68 3849.46 2194.24 10997.71 14136.64 8683.23 2667.56 2832.85 1316.86 2795.32 5858.65 608.23 3470.13 17315.28 2360.61 3974.52 2733.36 21070.96 1807.32 2431.34 7634.14 1339.61 475.44 662.03 6318.43 4317.6 4986.02 3461.53 4791.52 3269.75 2384.42 59299.57 19445.37 11535.36 1711.23 29484.13 10942.45 8250.02 4074.93 2193.06 13312.29 84283.53 32116.69 22177.27 1912.8 752.95 3226.24 10563.09 5807.72 2301.68 2611.7 76202.5 428.81 8426.66 7666.34 7587.66 7835.77 7813.72 7064.35 7601.86 7813.03 7593.08 12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 149085.36 97662.62 7401.25 10573.42 276346.64 150410.76 58877.75 252908.94 233016.85 125725.29 95461.84 199880.45 189197.58 81864.66 153181.1 223147.01 66941.76 263838.69 353959.26 185658.45 195618.15 182072.06 62103.7 60219.17 186414.2 177525.3 64258.63 72629.75 231276.32 132387.79 212424.63 338757.25 348878.49 53960.1 58712.55 148276.69 166658.19 98725.41 65303.91 44177.23 197164.55 261640.06 74373.31 70372.4 156839.5 57051.15 168380.99 99415.02 405156.6 590264 186714.8 93503.87 62834.11 51986.66 140986.36 127643.26 55597.16 32030.82 145652.71 106823.59 55677 60879.39 91654.07 155826.16 91340.43 142150.73 132140.68 98002.31 72516.9 157687.78 124022.53 136751.62 110499.57 84418.07 108071.06 142810.13 142767.45 142853.08 141145.45 141836.5 143124.5 140672.82 141057.6 141982.18 3-Guanidinopropionic acid 20354.61 42384.47 11715.37 16661.18 28957.58 27851.46 12446.6 21866.41 27728.19 32434.44 25571.12 27585.2 25664.25 24960.11 25259.76 21847.03 18652.93 30001.24 39709.11 20640.95 24632.12 14084.98 24756.68 27028.28 22740.67 40481.04 21419.1 21928.42 39259.32 14269.16 66940.01 19890.75 18510.91 16004.6 11621.63 14786.38 16011.14 10710.45 12867.46 15494.15 25786.42 39228.64 16088.66 11534.37 42690.49 25574.98 26977.16 18361.27 22205.08 68258.11 25497.99 32441.69 14360.69 19831.24 15794.18 22062.74 12404.66 8695.53 16709.95 10689.67 8563.69 10812.94 15892.03 19670.79 31266.37 17552.79 41372.51 13427.35 18109.99 16990.61 17025.04 21400.36 14758.66 10087.26 16865.3 6988.95 6237.76 7168.16 6585.17 11169.61 7969.87 7608.43 6485.33 6343.63 6037.72 10158.44 4322.33 8514.36 6109.36 5481.4 6984.57 5745.62 6701.47 10257.05 6693.87 6645.21 8733.4 7782.94 12688.96 12033.07 26028.2 24441.52 24772.92 24866.87 23965.93 23925.62 23285.98 24841.66 24585.32 17-phenyl trinor Prostaglandin D2 2039.08 1355.76 3978.54 11064.45 4803.35 3760.85 3375.09 7620.99 13172.51 5453.13 21611.58 9924.25 938.85 4044.43 3312.85 20940.36 9459.32 4291.02 25639.28 8905.09 9413.33 2663.17 8070.17 15872.3 10860.99 8940.17 8956.14 8473.62 7557.74 4888.55 4509.97 22261.25 3711.27 10216.36 7280.21 3975.01 8899.1 10038.9 7705.18 6166.91 5363.97 2342.12 8227.17 8411.18 8907.26 7194.83 5689.47 17831.65 7015.68 25978 1201.21 3914.79 7774.3 13237.82 3444.88 3445.67 9418.19 5477.86 4928.31 1993.5 8883.09 8926.94 2346.71 12639.83 11879.19 3746.22 4534.71 6892.61 8224.52 8060.46 4515.05 9765.43 13190.6 14760.5 15265.63 10475.77 9917.79 9901.11 10447.2 10129.56 10421.14 9878.94 10496.17 11334.83 Tyr-Asn-Gln-Asp 1432.6 7528.88 4768.7 2129.37 7552.7 14370.02 532.19 3863.91 1802.01 1972.32 1056.68 23930.69 2778.63 10463.68 1780.13 8827.12 81951.37 17767.46 14723.16 16749.45 11307.9 8620.2 7487.86 30734.52 5740.71 2359 16822.45 3105.41 12094.8 4404.77 17042.47 5636.73 16698.04 1699.25 11778.33 14697.37 3906.86 8383.66 32421.52 1030.5 4838.89 16217.53 17146.43 2342.93 15028.84 4729.97 4171.68 27170.21 3056.8 6784.33 8557.01 11808.44 37029.13 6221.71 9537.22 13129.24 58572.95 156703.83 9063.57 4248.49 31357.53 27898.93 3172.83 2897.96 27867.44 11071.51 14750.29 5838.04 4043.72 10107.48 2717.12 11343.48 1460.53 21754.82 6513.97 5194.5 4663.0 5133.89 3302.65 5459.1 5075.71 5278.42 4372.28 3806.22 2917.04 4081.9 2028.91 3823.65 2571.62 1381.81 3819.53 3186.55 3698.43 8151.86 11379.58 9553.96 14754.1 13575.2 5451.15 6038.8 6272.15 4829.08 7497.49 4213.72 6760.74 3503.61 2960.63 Allobarbital 16322.47 18790.57 11807.91 12649.36 23053.73 27600.93 16289.94 23054.71 22262.46 17008.98 16810.54 8532.76 17462.49 12329.53 20012.71 17225.8 11811.55 23225.18 15173.94 21013.26 22474.29 15060.65 16148.76 15363.86 23228.74 20453.23 13547.5 15091.3 29526.86 3226.32 29119.07 17591.4 13519.92 12700.23 10121.69 22339.73 17424.14 17736.43 9259.81 8527.65 21875.19 25992.11 11522.06 8984.31 25543.67 12767.88 28096.11 14975.26 6792.55 18148.93 15975.51 15438.3 11555.52 15321.92 12143.3 14921.96 8900.8 7808.89 15423.79 10646.55 6857.94 6770.26 13168.03 11095.96 11647.46 18738.17 23290.51 10616.16 13589.23 16654.13 17518.83 13525.18 10453.21 14056.85 13388.79 14400.66 14910.1 14246.32 14000.63 14332.49 14442.91 13867.95 13870.02 6660.03 3-deoxy-D-arabino-heptulosonate-7-phosphate 8752.5 10505.91 8985.28 10207.29 14500.48 12100.77 11742.65 12419.29 13130.19 11214.98 11065.91 19096.22 17656.82 8710.06 10127.27 9820.52 9223.09 20600.5 11943.44 27833.35 13034.47 8129.92 13138.63 10798.19 12500.94 13157.16 10525.88 11529.04 30299.56 8498.23 27897.06 15492.51 12402.51 12348.78 11395.95 24397.76 10175.59 7698.05 7817.27 7223.73 24554.02 18938.27 10080.7 9031.36 22626.75 9275.54 29197.15 13580.67 9275.09 20694.25 6874.67 10348.18 10362.41 13562.47 7249.62 10319.95 5205.72 5242.54 11892.98 8600.22 6625.1 4402.43 7976.34 11510.85 12159.36 12961.05 12960.55 6801.87 11532.16 9715.34 10000.35 11400.53 6568.09 14796.67 12707.25 12982 12379.59 12972.89 12968.72 13171.07 13184.19 13108.98 13160.19 13172.42 3'-Hydroxyropivacaine 170556.96 72165.58 20809.97 681.33 190414.06 425906.79 3217.32 386902.46 172417.45 161073.09 115686.73 182560.24 83945.8 150484.45 274076.66 104447.58 26030.52 682647.49 465995.4 246470.77 232931.16 285851.59 110973.79 64671.73 263519.02 92051.04 32141.06 105140.19 242636.45 62064.16 216576.99 466193.86 387696.58 145082 51220.15 227331.74 295348.14 142502.38 67778.78 13121.35 161285.86 261412.64 79435.02 63259.96 224713.51 57967.57 238882.74 104486.36 210956.79 240244.33 283686.06 222413.37 138758.15 13650.17 94491.61 116229.96 3374.73 25852.29 296660.96 11850.2 34931.3 39740.85 123455.78 155375.07 86835.29 94038.99 111594.37 45706.04 33617.39 302410.82 122264.02 91869.13 186602.27 45160.3 38578.4 159273.05 166271.3 166362.67 159277.42 166412.82 165523.44 165104.95 159482.6 159357.08 2,3,4'-Trihydroxy-4-methoxybenzophenone 24633.91 10650.1 34398.07 42597.81 41264.51 3109.25 40062.45 30508.2 29228.29 33639.13 58940.53 70075.43 70748.12 5811 44069.45 63047.28 28937.72 29434.95 26359.14 5007.93 28554.32 3395.89 22999.79 22491.03 34255.05 33954.06 40668.49 68947.25 28000.01 73722.69 22205.15 40729.69 12522.22 79825.74 83539.19 25781.25 36487.81 34927.19 23410.66 91818.77 21453.74 40809.44 62192.76 3766.04 51208.51 86329.44 46429.74 21853.03 33864.63 38919.19 66661.07 32745.45 91678.03 159184.41 83730.96 6499.55 28801.16 49110.98 35501.46 60380.03 12260.7 17377.6 42012.1 142664.13 46618.46 96514.66 26550.29 8385.54 17728.11 33630.12 31900.63 27666.17 59756.65 103139.83 57830.9 47782.34 47305.14 49436.71 48538.35 50855.39 47526.52 48503.78 48658.28 48656.47 (-)-Neplanocin A 9017.8 24170.16 4260.04 6027.28 3823.95 3305.4 601.37 1512.16 16214.79 4534.05 3835.73 4006.54 8952.84 1294.81 7764.27 5337.81 7411.82 4177.69 10176.74 12487.12 2060.6 10015.65 7440.86 2892.63 18177.66 11636.8 859.33 5544.03 17779.94 5218.42 27237.15 16183.44 3688.87 2903.74 3547 5886.13 4333.06 1249.53 2619.03 4235.25 3486.13 13944.97 5764.98 3679.11 7139.02 4903.45 20856.05 15466.86 8281.91 44540.59 5260.49 9058.11 7234.28 4411.63 13878.49 36679.84 6146.46 997.6 13118.86 3015.09 2098.92 7549.47 6492.72 3727.28 4420.92 13082.17 12298.86 11127.77 6801.24 8246.2 4109.19 5058.92 2880.56 4487.24 3650.29 11464.75 9560.48 11364.86 11684.09 11610.56 10934.12 11586.43 12393.47 10924.97 Indolizine,6,7,8-tetrahydroxy-, (1S,6R,7S,8R)- 6402.1 11863.32 5205.16 11710.04 13189.86 5656.36 25568.77 8344.35 9136.08 8827.44 7805.13 8942.59 27551.39 5576.31 16709.88 17866.98 10238.85 10844.76 9521.5 13515.41 11364.38 12250.35 8313.85 7017.04 12961.03 9176.75 9300.12 10277.76 13136.5 3581.71 2415.22 5391.76 8306.85 7097.75 5709.47 10976.04 5774.04 3019.37 5655.92 3502.83 6922.88 6135.58 6519.72 9165.29 4141.55 22709.27 7275.7 14806.89 10906.6 6460.64 10742.32 6562.05 7947.88 11685.59 2859.29 5421.12 12538.47 3840.11 3959.76 1219.54 4487.43 4216.15 9451.39 6309.83 4678.43 7717.66 8967.5 7954.67 5833.49 3825.23 3926.34 5061.75 4463.5 10294.48 11300.45 9731.1 8962.43 9210.02 8931.18 9197.14 8925.89 9224.31 9113.7 9220 Nocodazole 1095.88 8569.6 11574.97 34911.12 7349.82 11420.96 48212.71 28836.28 48284.67 29451.8 39239.7 48053.53 531.05 18926.36 64596.38 95257.83 37750.85 81350.09 46797.32 111799.58 130117.47 20352.14 27877.25 14877.16 21747 13941.64 20096.65 19062.1 66412.76 415.59 92145.8 24192.31 37639.94 11795.62 41069.43 69540.12 86595.73 14368.71 20026.18 63585.02 51304.79 87401.09 13223.67 17475.15 27657.92 36429.41 150228.83 13647.52 1054.1 2877.64 42651.27 7927.91 47898.37 108094.49 29474.44 21958.92 1013.32 7905.64 136366.12 342198.79 1555.45 2792.14 59434.4 86997.17 85193.75 49843.91 59869.76 23025.82 35903.96 95175.34 25888.12 27371.39 66999.43 222922.07 63492.58 52553.78 52531.44 53512.52 50927.39 50951.97 50558.68 50903.49 52463.15 51205.73 Quinmerac 768.59 2469.02 17711.1 1835.67 6703.76 2664.07 4620.27 2459.65 1802.04 913.37 7172.78 608.13 658.34 3571.46 6875.08 3095.95 3915.42 3507.93 3884.19 1792.17 454.1 966.56 2771.11 5926.59 564.98 7481.27 3097.78 7144.73 7833.8 519.74 2622 967.58 8699.68 23591 10747.71 1189.64 3066.19 10234.46 11714.29 19939.83 1339.44 1443.24 10485.82 2211.71 1205.55 19459.71 2772 970.31 617.27 480.16 6731.01 2103.33 14559.3 34661.36 5317.79 2732.58 12942.06 23647.43 1883.6 11885.64 11545.92 2350.36 8796.82 22233.35 7250.22 2489.18 487.51 3937.59 4461.61 2275.25 5310.91 5500.31 12938.13 20568.51 6144.15 5639.01 5835.48 5850.7 5849.24 5693.77 5845.67 5748.88 5895.94 5167.35 His-Phe-Glu-Asp 5562.73 2387.19 1985.8 8532.51 1577.83 1978.46 5784.77 3577.19 4984.34 995.6 808.83 8621.1 6717.64 3366.72 1397.65 3953.68 10686.6 2765.65 1478.49 3497.83 23027.23 2402.26 950.25 1802.9 1888.51 951.35 722.71 5958.37 1524.54 2786.52 491.91 972.54 2767.65 10072.35 1770.15 3042.77 5107.31 6177.88 6535.39 587.1 2275.16 5094.63 422.04 2131.77 540.8 7336.28 2582.16 2298.93 677.47 6070.07 3961.83 1331.7 4867.39 8667.59 3106.82 496.45 6474.86 431.75 1938.39 2606.13 452.97 1444.54 5414.36 2022.56 1005.37 8312.65 3870.37 6557.08 8182.76 885.95 991.6 970.55 1443.68 6541.45 9187.25 4510.31 3859.18 3694.68 3880.31 3669.76 3933.82 3007.9 3494.78 3843.6 Chloroquine 3906.08 16826.89 6101.29 7669.47 29274.61 18784.63 2286.47 14546.09 43488.57 14054.43 11601.82 5588.88 1182.37 10519.25 45830.63 13178.39 3661.69 32055.81 19442.61 10999.02 5746.39 3409.59 7674.36 7993.72 40321.47 46479.95 20033.26 4999.6 21861.54 3242.6 3723.68 13561.54 31964.62 4171.19 5775.76 30018.9 21768.82 5495 3606.49 23192.73 4231.74 3057.29 20946.49 6547.34 9563.15 7270.19 14702.6 8846.43 14752.77 11885.01 8798.66 2880.46 17871.75 23828.46 22733.8 12301.91 7386.2 9088.88 22216.3 7457.48 2228.54 2026.52 14533.03 23644.42 19838.51 12040.73 3962.77 2838.15 2539.91 21356.21 25736.56 5347.81 6071.79 30171.8 2244.86 11703.17 12218.99 11258.67 12345.93 12201.11 12215.43 10048.94 12191.12 11491.1 8-Cyclopentyl-1,3-dimethylxanthine 32799.44 3252.49 4366 24282.73 41799.02 781.97 82527.7 48448.62 43867.35 45029.85 109553.83 60712.21 31461.54 54076.64 42280.19 103061.45 65244.29 4794.91 69282.04 6792.81 47736.18 1354.1 19111.25 80227.69 42794.44 45435.6 64279.98 59176.66 14574.86 9342.14 30184.65 57078.32 26676.12 34058.67 50161.85 16503.34 38367.12 740.59 37835.12 30834.85 7766.55 39860.71 49717.45 42523.75 21838.56 43260.32 13313.29 60469.41 28974.36 73646.55 23593.35 22496.79 53244.71 74626.62 23990.22 16155.37 25272.66 13307.59 36585.61 16013.82 39588.36 892.61 26639.79 23189.34 30748.04 30363.65 45932.45 45130.48 64632.09 39473.77 32834.49 913.74 68139.77 3469.33 71597.07 40549.36 41546.86 40286.04 39860.69 40385.12 40070.19 40552.05 40072.77 40543.86 Indirubin-3'-monoxime 8826.49 8187.44 17148.33 14039.73 4700.73 13993.57 21146.35 7747.68 1450 15254.27 22049.74 15709.29 24112.12 18823.6 3129.81 19594.46 11305.64 7258.94 14684.65 10403.6 8319.48 5072.43 19890.4 18299.29 7191.96 15657.11 14571.92 17766.63 434.99 3356.21 6663.1 11915.53 6189.5 18942.77 12477.62 469.28 2113.29 11053.85 11525.06 8888.88 8531.1 4613.42 14318.4 8608.59 3038.14 9264.39 7400.89 17317.85 11086.36 16443.38 7379.71 8852.38 12748.58 16369.17 5066.23 5470.84 21224.62 6077.61 6354.76 6118.37 9569.91 12035.57 7441.41 12121.26 10094.73 8371.52 4024.32 12756.2 10502.11 7932.12 8618 14410.98 11175.76 12918.84 19573.36 2616.42 3431.49 4144.87 2268.68 1894.83 3029.09 2577.8 1666.56 1984.01 2525.11 905.54 1244.64 1074.01 812.04 1261.83 1321.51 1006.09 3372.43 4298.8 6963.18 5187.51 6776.89 6800.08 5204.88 12388.69 13890.54 12686.16 12616.3 12569.71 12520.21 12690.34 12699.55 12173.52 Fluazifop 32767.15 23758.37 7793.7 35514.58 50051.25 83463.14 29693.28 45552.12 64842.5 49980.83 27089.53 54711.6 38531.96 18220.98 60963.78 29616.82 9348.24 74117.57 35683.4 79493.74 79265.75 39351.18 17343.43 16861.27 42648.32 50770.38 12113.58 30475.26 63537.07 24069.91 75706.35 27425.84 22767.52 18747.33 9118.33 50386.6 24667.25 33788.24 8906.74 5038.77 54985.62 31815.13 10387.31 7276.04 55393.19 26730.41 51488.67 18290.74 25488.19 29571.6 27004.22 18253.78 10311.97 10632.54 11342.84 13667.92 6987.83 1420.91 38069.16 4532.4 4414.11 5114.17 13429.97 9681.08 11117.98 27613.52 39466.02 11539.87 15144.1 45370.07 23592.92 13255.33 12029.64 5235.66 9273.64 22540.81 23244.03 23771.13 22778.86 21753.77 23239.2 23110.72 23251.52 22520.58 L-N5-(1-Imino-3-pentenyl) ornithine 2799.14 1548.36 3824.12 2602.29 2326.52 913.26 3568 2437.44 636.73 9056.72 4842.65 3374.86 11030.91 6056.57 1742.31 3960.13 3244.79 2961.05 6711.07 2624.4 748.4 1587.93 6689.76 6226.72 2990.68 2226.25 4495.83 7413.71 3019.33 2204.58 2192.51 17316.16 1291.13 6045.45 5893.19 5519.62 2346.21 1093.96 6245.52 2447.67 2748.54 2862.99 4031.9 4791.46 832.34 3977.47 2063.15 6754.08 4219.06 6860.2 2670.32 4831.42 5469.59 7520.13 1685.65 2533.01 1905.76 1515.89 929.8 1563.55 2580 5315.27 2171.56 3299.08 1460.06 4034.83 588.35 6030.78 2833.68 961.57 867.49 4962.16 3708.97 2309.08 4969.82 3279.29 3427.71 3773.23 3297.71 3476.21 3296.95 3459.6 3307.41 3347.13 Serylthreonine 4741.05 36579.41 22623.81 34149.58 78250.13 91986.52 27823.53 19501.52 6357.03 16920.39 61761.18 47665.04 8065.31 18759.76 83441.33 58197.61 36993.03 88397.64 33720.61 111349.11 25137.9 27504.79 3909.56 13484.81 42260.36 38797.72 11664.24 9669.12 52403.63 6330.86 101232.8 32991.58 34876.42 6091.78 7542.91 32204.15 45004.94 34418.94 5998.93 8714.29 34354.91 45949.86 21646.89 8543.67 81638.55 11500.43 95856.49 13186.6 7705.64 29103.87 10670.82 11506 5666.01 19122.49 10231.5 24537.52 17570 13228.24 41743.41 10002.06 6292.32 1473.76 24213.73 29699.13 13172.89 8030.72 63330.85 14296.3 23464.05 110505.75 64595.27 22454.24 22290.6 38655.42 29472.43 11733.32 7104.81 15163.67 16064.5 13326.79 6431.54 7668.24 9865.1 5888.81 11104.19 13307.31 5922.25 16980.79 10682.61 9914.73 9594.95 11737.27 16004.99 9623.19 12522.31 10447.63 12459.32 11501.61 12452.56 11719.64 34951.64 37416.98 33128.86 33596.09 32833.42 35211.06 32869.59 28307.2 34833.48 2-Deoxy-D-ribofuranose 5-phosphate 1687.69 2983.39 5630.87 661.66 5814.22 46719.92 7087.32 4529.75 10079.25 22443.39 566.44 1270.14 1165.33 372.51 2291.03 347.85 228.33 629.75 632.15 3102.21 5149.69 21920.7 13153.14 195.14 641.71 18480.86 518.45 218.26 2018.71 207.93 755.59 802.1 3405.13 10816.67 784.36 262.15 818.8 21396.97 7316.13 1859.02 1669.45 1240.6 283.24 264.77 762.6 1895.64 1168.86 677.99 1327.22 756.43 1360.6 2055.87 349.62 630.3 354.94 1221.69 5810.21 4641.23 804.36 12812.38 2285.8 5881.81 430.53 242.87 362.7 331.7 3976.56 346.59 2179.04 566.76 1753.75 667.68 2272.18 4445.02 307.17 4641.21 4473.41 4453.62 3393.83 4463.91 4455.9 4445.55 4746.13 4580.47 Metamitron 27590.83 17803.23 11160.91 14634.03 34995 36243.81 21667.04 48839.67 46196.69 22544.41 24375.9 40775.68 35725.87 31928.98 24553.09 43641.34 22044.55 39474.64 41696.8 46871.57 25307.65 4766.77 19652.64 11739.73 29504.63 32882.3 42855.96 30252.12 66394.75 19768.18 50428.34 78356.98 8397.88 17065.3 13121.31 38992.2 26960.57 12744.53 12273.34 13413.55 51551.64 55116.13 16989.93 27117.96 36896.8 25709.29 36888.72 31231.86 32467.56 58785.59 32314.59 16507.01 21318.36 21851.77 18447.86 16063.36 8708.42 7325.31 24934.15 7393.08 12538.53 7900.62 10491.66 12110.45 14487.56 27101.31 36803.47 21191.04 24233.73 22752.68 20529.3 19679.61 15095.15 15956.64 17106.63 29341.47 28959.53 28977 28951.81 28286.5 28947.09 28285.58 28114.36 28613.29 L-isoleucyl-L-asparagine 17591.49 21364.54 21770.62 35772.09 9206.78 16560.95 25375.48 20569.67 24849.2 39559.89 43255.97 45831.4 34090.99 36310.27 11705.3 39928.56 23850.18 12277.25 30440.3 10479.54 13646.64 21232.72 26317.38 27977.81 14543.1 10088.27 36709.71 46477.29 20359.24 1708.67 5217.15 61932.4 9125.26 39928.89 32497.08 13020.44 19085.63 17301.19 32950.23 34877.23 1608.64 31587.88 39875.63 27177.78 8335.15 36034.83 10608.98 7291.38 20787.68 43233.49 18961.97 25914.81 52883.16 39174.31 11815.82 14984.7 14783.9 19608.53 9717.73 8610.08 21847.56 24284.81 7984.08 31566.05 25642.8 24471.49 5243.85 33884.48 29759.73 11057.74 14839.62 28091.67 26432.61 32874.52 29346.54 29555.04 28696.75 29225.5 28554.11 26127.41 29289.3 29551.15 29142.09 29607.77 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one 33224.96 21925.49 30433.64 21135.66 20781.58 1386.26 20092.9 40947.21 15113.08 20893.35 17899.11 22047.56 15614.39 20874.52 36571.4 24482.96 13966.72 34478.31 2871.36 9723.33 25235.35 17646.51 29316.03 20755.64 31132.9 5848.32 15271.84 22864 64114.04 28692.91 16599.49 1767.2 24009.27 61618.47 21686.35 30402.27 34480.77 21406.65 48757.99 52852.13 1949.67 732.44 28488.22 16249.66 20791.47 52056.72 34899.83 35504.85 3120.57 4957.71 54987.63 30432.49 39185.01 82321.4 46024.97 21087.51 44428.22 38368.78 29105.62 28066.11 22606.85 49950.82 22140.12 45075.63 8975.76 47013.47 1735.28 24869.6 24485.7 34868.82 34420.59 14667.73 33487.46 42975.74 56942.19 30456.32 29109.76 29788.98 30472.39 29829.28 30318.6 30458.68 30751 30025.29 14,15-Leukotriene E4 69136.71 39731.64 27361.09 30667.42 75287.14 74924.24 11570.41 69146.9 121313.64 163387.46 48611.78 70362.42 72300.01 58960.82 21807.82 81208.86 29485.76 70697.8 96869.9 66924.99 72713 88733.23 105015.87 36435.38 94249.6 79542.08 127480.56 60573.25 98424.33 15487.23 16096.51 34768.42 41427.25 43694.13 20816.7 100291.83 15442.16 78651.21 8092.51 11238.02 40312.35 47470.44 12769.54 14804.58 101135.57 20387.8 152146.09 24722.47 41152.04 75663.28 112911.38 27068.41 17685.28 33746.18 49729.88 56362.46 21095.44 9421.02 26652.71 23571.7 13042.43 9980.28 35627.5 15426.49 17431.34 85834.45 75940.56 32997.7 31397.51 44760.28 34752.23 69081.08 26354.21 42903.35 56160.85 63189.2 65816.56 74694.21 67879.1 69380.49 67785.5 65802.3 65664.52 65745.66 THOS Streptonigrin 16539.45 17811.98 1222.35 33768.14 16394.61 2808.34 26076.03 25335.4 38095.72 3432.36 3834.06 28731.78 22104.12 12733.14 14696.14 24304.51 2379.48 17376.6 10616.72 5180.58 86926.25 10820.94 11513.42 9522.48 13176.84 11071.68 10540.5 21582.65 11312.13 826.74 1491.23 4322.31 1644.58 36153.48 10007.43 1004.6 15344.7 17000.6 21505.73 9959.15 844.97 2169 2384.41 593.81 7552.24 76057.46 3008.5 1351.93 1875.53 1748.04 15801.95 2383.95 17203.15 51817 3903.84 3047.59 5918.57 1239.53 915.11 19910.43 1091.44 9286.48 19547.66 18104.47 7805.36 25924.71 16849.57 22977.04 30346.47 13775.64 10911.04 9377.92 5125.81 24431.26 35046.09 16632.37 14905.73 14479.27 13129.32 14357.42 14567.1 14501.31 10406.05 14902.92 4,6-Dinitro-O-cresol 140553.84 121754.32 33286.73 28857.52 174394.9 136141.26 94437.85 207637.41 208238.62 81146.57 151206.45 97040.58 48764.99 57014.16 196958.82 142747.91 47460.85 125796.92 80955.37 156994.41 116565.63 162122.82 49562.27 77777.51 112514.75 150007.27 62267.74 53461.96 124465.28 13688.97 112821.58 66637.21 58940.92 12375.02 2637.18 60901.82 86758.57 80648.05 26967.88 34740.42 72623.56 79123.3 40570.23 29355.21 79726.59 60705.44 132773.13 52563.95 26541.83 53577.23 59744.43 69387.7 49418.13 79991.3 91162.64 123888.9 35784.12 31692.02 98929.47 50824.73 32811.8 40281.38 36740.34 41709.55 77089.18 91759.08 98603.41 49071.42 86266.9 131758.48 72972.99 54643.35 81185.28 40862.5 51226.88 84853.12 89901.66 87799.79 87787.87 84641.39 84562.91 86290.25 84592.43 86743.61 2-Acetylaminofluorene 632.37 773.04 697.45 1093.3 912.51 2332.08 4797.34 1984.76 1566.71 421.13 556.31 560.25 863.5 852.56 240.48 622.56 417.38 269.07 687.89 662.13 1017.4 646.79 1018.72 2107.49 302.02 1061.06 789.78 473.48 1977.48 2839.43 628.25 338.92 478.01 1207.08 633.87 731.5 452.5 1228.25 1134.28 197.15 1261.63 1393.16 971.94 365.37 915.35 951.71 1669.91 877.51 2379.09 1967.85 250.07 301 632.43 1030.8 468.64 1217.91 317.69 2458.55 308.34 296.79 495.09 703.39 208.11 505.67 680.72 220.4 224.95 291.21 614.43 291.16 641.06 635.04 378.02 635.23 1425.42 1599.52 1784.67 1873.6 1871.35 1792.56 1067.34 1226 2112.88 1524.68 UDP-N-acetylmuraminate 1593.62 3257.07 987.6 6493.87 3678.12 6749.16 1199.98 535.27 912.71 1253.63 1815.6 1287.48 900.33 4628.45 1616.95 2383.17 2983.23 1690.78 1785.92 1291.87 8897.32 639.45 1643.28 3438.57 506.79 2309.55 956.76 963.09 2003.07 1528.29 885.37 1141.95 2137.37 975.19 1779.8 934.96 593.53 2610.38 1296.79 1890.32 843.26 2796.55 574.43 3868.57 441.26 4066.21 1128.97 1144.03 1299.16 3821.05 1046.77 1088.8 1884.87 718.04 3942.76 1578.51 6021.46 1008.25 487.3 4778.45 1784.64 3125.53 5941.78 2170.44 1610.74 1046 556.45 3080.79 1731.3 871.3 844.42 784.33 1747.95 2526.32 1723.22 1826.56 1845.85 1777.73 1850.78 1659.81 1798.12 1767.56 1853.64 2064.93 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid 3865.71 43703.71 12234.51 16883.24 20872.83 81881.66 30188.05 19962.65 55422.39 7664.21 34647.85 10510.58 1767.8 9428.24 75674.75 104588.39 106254.59 129872.39 48963.43 78911.6 24296.91 11156.77 4620.15 10363.85 10921.36 10393.77 13968.73 3094.37 64927.97 1185.77 68517.87 24169.66 34675.27 3790.51 16331.98 5052.78 40078.34 24225.18 3190.83 17414.34 12516.04 5154.01 18365.15 13115.19 37308.2 16320.49 85963.97 56725.86 3103.63 43170.67 3181 13877.65 13350.09 16734.36 13175.49 38477.54 29269.48 21387.39 59994.4 23361.7 13385.46 3769.42 33293.45 44142.39 68500.77 16803.29 77185.74 15438.31 38641.62 44711.45 48928.82 28377.81 57746.62 52748.35 47913.24 39205.52 36940.58 37111.97 37858.4 37819.03 37084.33 37079.58 37125.14 39212.3 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate 650.29 2222.94 16708.45 4363.16 2388.04 16025.76 1390.45 747.4 3109.37 2072.63 3046.62 1112.72 2264.52 1435.3 2922.39 9766.13 3688.14 1775.22 1389.99 2367.23 1521.14 10044.45 3002.61 4501.27 2020.13 6942.85 4482.81 1265.75 860.49 4989.11 2622.18 664.46 4347.3 2136.23 5454.82 1776.08 4362.09 4552.39 3698.54 10235.66 3624.96 2252.04 7917.16 1101.54 1535.83 10365.83 1222.96 4367.75 2816.57 2777.9 5434.5 4853.3 4631.53 10303.15 1257.91 2112.5 17584.81 10172.73 3145.5 7812.97 4684.87 1913.02 6040 8759.01 4766.41 5063.61 2297.4 2399.99 1750.19 6918.71 1619.96 1882.65 3234.62 9549.8 7834.71 2371.45 2166.34 2245.46 2757.6 2515.05 2382.53 2219.82 2473.75 2555.08 (5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione 13910.82 16415.12 23936.4 13235.81 10217.27 13150.4 13728.64 4199.3 2038.68 14010.97 15504.31 9367.05 6184.82 8629.06 9594.76 10597.2 10335.42 10653.54 5971.28 17971.46 7719.35 6874.51 5539.21 3055.02 4391.58 5058.5 4600.97 1542.92 2412.61 7991.02 1970.05 3477 7579.43 3541.99 6226.06 1628.64 2518.23 7825.22 6940.82 8898.43 7420.37 6212.5 8101.11 20567.8 9417.57 8463.15 4515.25 17345.2 8152.79 9009.1 11059.98 9992.55 8434.43 11281.94 11503.15 14528.39 7878.92 18287.77 16956.19 24227.08 20758.91 12891.39 15738.35 19145.97 25089.84 13241.87 21182.13 21253.05 13618.95 16144.91 27692.68 19958.7 31611.11 20578.35 25553.79 39137.92 36224.36 40896.06 33675.69 39960.43 44664.89 44898.15 68029.32 6012.23 72178.03 29628.5 65125.96 64608.5 61271.43 59137.37 59078.4 40578.87 68822.84 67157.07 67928.92 48611.89 67767.37 65892.0 82045.07 70465.62 19013.12 19260.68 20040.99 19304.2 18999.46 19291.04 19319.86 18996.04 18602.37 Laricitrin 3-glucoside 3950.54 5487.96 981.19 20753.85 12701.53 1382.91 15379.12 3728.41 7160.96 502.02 6408.27 6091.78 14099.34 995.39 16677.71 16460.18 10944.41 1663.08 2257.38 2370.55 10773.96 1317.32 1533.99 7437.85 3574.7 10595.68 1174.48 1951.86 2032.73 1999.75 2252.62 3697.82 1371.17 12560.61 5515.36 1920.42 2072.13 1498.06 4730.61 5237.25 4504.61 2147.3 3111.36 424.08 678.58 24816.49 6981.64 1630.35 3113.34 5431.62 5537.17 595.53 5831.21 20397.24 4641.76 1475.53 2621.99 909.07 4207.12 15211.43 2250.64 6035.76 12288.33 11797.53 10092.74 16615.55 4761.05 17918.92 14641.32 4452.19 2787.85 1099.91 10874.63 16125.76 22247.15 9636.94 9917.67 9031.24 8954.75 9044.14 9402.78 9033.65 8018.44 9462.71 Asn-Thr 24964.41 22037.57 20866.24 22507.09 21014.03 57912.9 37814.52 14691.66 25257.86 27356.18 34527.97 32067.92 29507.26 21207.31 25782.55 24116.4 16131.42 23137.72 34587 31424.27 30460.64 16984.52 28008.54 39254.48 5657 4428.26 22681.99 25283.23 34495.71 12699.58 28775.9 24650.89 17526.99 19084.31 21790.35 26233.31 1570.78 17194.04 15951.37 12236.67 25764.15 32540.19 17033.94 13660.99 28801.03 18326.43 29480.66 24683.66 20738.5 27842.11 17190.81 18001.81 29282.7 33921.76 18185.86 17405.69 21098.84 12381.71 17149.3 14312.15 17626.97 12191.87 17620.96 14912.76 26116.25 19629.73 27345.81 18806.91 19906.12 15996.63 29278.29 19824.55 17831.34 20643.99 27918.16 25720.64 25810.53 24758.69 25198.79 27650.34 25929.98 25083.6 26024.41 25096.46 2,2'-Dipyridylamine 12580.24 1252.86 3875.98 756.85 11559.71 1535.2 5017.75 14257.64 9124.8 4484.63 14948.39 34871.86 27634.77 18407.5 6103.74 7528.74 2694.8 15595.89 14937.99 15949.53 9576.24 429.43 5213.61 5876.31 11757 2666.76 8807.21 15024.78 1811.89 6156.63 11382.51 16425.02 958.38 983.06 1192.75 12602.33 6211.11 3036.42 3423.44 1429.72 17092.01 9687.48 1561.99 2323.15 9808.95 13486.12 9325.45 6684.63 11480.82 12583.81 7982.5 1601.87 6245.85 12306.11 8274.23 684.76 601.7 1209.39 4289.26 528.02 1859.86 4054.86 1620.7 1344.51 1509.22 12384.17 2716.31 10278.63 11811.7 7119.42 945.65 4565.33 3384.89 1653.9 1066.47 7586.16 7533.76 7957.65 5344.44 7894.3 7960.51 7756.27 7785.92 7499.38 Gln-Phe-Glu-Lys 2454.71 879.88 7620.7 5952.95 8589.72 6109.28 9072.92 2754.49 3732.6 2183.95 2050.19 3652.42 1490.16 1521.33 516.82 2333.33 637.97 1904.36 1698.59 1269.91 5797.96 3303.28 2296.87 769.5 1797.35 1747.65 1717.41 1120.18 4517.6 462.23 2468.98 1436.3 2045.71 2271.19 520.94 1008.39 859.77 461.57 1245.45 1154.49 1257.2 2013.06 1286.5 1463.35 1629.86 7737.65 2337.42 1079.96 2800.66 3124.06 1733.83 1930.97 1396.13 1319.6 1117.75 1674.15 6593.14 5678.5 1458 2409.11 2165.72 1715.75 2018.52 1372.77 1153.67 2307.11 5721.62 6559.58 540.52 1657.2 1237.83 797.18 1111.47 839.65 1499.12 2536.68 2726.01 2577.86 2523.82 2624.24 2405.67 2620.51 2521.41 2629.63 Dicamba 1461.61 1711.05 4961.03 3118.24 3340.1 844.82 2371.55 3262.78 3840.53 5274.26 6093.8 2215.95 4107.9 1212.12 1436.36 2495.32 8271.41 3429.3 2599.52 401.54 1588.06 1628.02 1851.54 2829.21 3096.27 3762.69 4103.92 3290.72 632.42 775.2 2826.21 1892.27 1657.38 1833.49 4522.36 722.21 2080.65 1260.45 460.98 3619.8 1436.48 1264.77 2073.72 1834.5 1390.64 1928.36 669.86 862.31 1093.35 741.98 509.16 2032.5 3884.8 2615.76 2579.92 1638.44 1040.32 6870.63 1006.94 1606.98 636.46 969.88 740.09 5092.05 8513.12 1359.85 1634.98 767.94 994.65 992.78 629.46 473.25 5020.77 5813.05 1050.22 2676.23 2429.29 2245.9 2375.44 1390.54 2472.95 2487.69 2320.62 2708.67 O-Phospho-L-tyrosine 1687.91 13391.41 7226.98 9864.77 2398.42 20668.87 5978.75 2593.45 4143.9 1197.24 1907.55 1714.34 449.73 1239.91 4983.57 2605.22 1365.53 4712.78 8378.79 8986.19 2770.63 12337.73 10355.28 5435.73 2863.74 3008.93 558.57 994.99 4811.24 2780.5 6415.61 1974.1 3008.79 7203.96 4941.47 3514.29 1882.23 19455.62 6643.66 1027.28 1472.34 2915.46 8395.77 4791.41 2323.77 1510.41 21246.93 12567.51 8510.01 16757.85 788.29 11828.46 7177.64 3459.47 1719.29 10595.69 4672.76 9788 2107.41 2691.24 1255.17 3106.19 1934.91 4595.31 6356.92 1927.7 2424.34 1708.9 2157.15 2860 4106.15 8176.22 2342.99 5114.19 8382.26 5251.24 4971.92 4309.47 13023.16 5353.81 6449.07 4069.55 4520.38 5915.16 2640.76 5074.29 3737.97 4827.86 4057.62 5092.39 5904.92 3344.45 4689.67 7535.5 6837.71 4094.76 5407.85 8841.78 7582.71 5660.69 6052.38 5972.27 6007.32 5564.8 6094.92 5752.15 6022.95 5745.44 5877.06 9,10-Epoxystearic acid 860083.83 451976.56 564266.77 790406.51 547427.79 1291713.64 1197904.06 506746.9 630072.43 371162.65 696047.85 648886.05 1192893.37 748287.43 450168.07 1748990.02 1139369.08 689916.03 917398.94 488374.35 482213.22 551061.08 506642.78 460739.34 427670.17 596230.53 544018.05 580100.36 193785.82 248030.04 313155.49 820277.41 257955 442274.54 944881.39 438900.31 413827.17 279625.51 303103.94 178001.29 430751.15 784138.69 301393.18 877329.04 387442.45 553815.74 438156.46 594480.83 1258955.98 1419779.74 570491.35 338505.69 207321.47 301634.78 795909.07 361364.5 728433.95 232570.05 199439.31 153442.97 407424.57 702891.04 419749.44 205283.23 162805.79 549649.54 572682.59 1314039.98 1152111.64 573105.61 386354.83 526506.7 355655.09 428581.5 1693119.28 25676.18 52171.67 58576.07 71375.8 39623.52 39847.59 45297.41 124425.26 91475.39 41905.59 41460.67 37877.58 70343.02 104299.07 33152.73 124586.38 34012.9 34956.73 29058.11 32209.52 44121.38 42297.21 55193.21 32382.35 62200.28 620667.04 632677.59 632754.32 621568.53 648833.32 632637.57 623407.88 617633.73 621584.32 (Aminomethyl)phosphonic acid 33180.61 177211.59 336736.95 173780.58 10011.26 4094.18 86470.72 1814.6 5570.95 1693.32 3381.45 33738.29 1866.74 57592.47 86341.75 129866.18 329034.31 1462.88 859.22 1299.78 98148.95 6747.4 43942.72 95294.17 1542.36 3395.82 33602.53 22031.41 840.42 11229.32 2831.71 17759.25 957.88 985.91 64499.36 17900.3 35765.91 1922.53 37558.59 59467.12 806.07 1277.72 75208.81 181125.09 18431.02 753.4 431.03 26814.02 23017.35 1668.27 1420.74 52004.18 49123.79 66778.26 114453.47 113959.59 465992.05 125332.57 1282.54 55942.72 142629.21 31171.1 168636.51 110355.86 1930.1 66958.39 25577.4 102121.37 122195.67 43096.84 3249.59 123089.84 68820.2 10096.57 85932.19 1140.26 4763.65 6111.74 7540.19 2010.01 5256.11 11907.71 2580.65 1450.97 4974.74 2753.94 1114.57 851.5 754.23 2506.12 3089.21 6338.54 10240.53 3580.23 4543.91 3869.36 5725.22 5884.25 9035.78 13459.59 41391.21 40061.49 40041.55 38348.85 45085.45 35205.14 38113.5 39704.24 38494.75 Z-Ala-Asn-OH 15656.31 1877.34 6217.62 9180.33 24407.88 2837.82 19088.21 25651.82 34470.57 2160.81 26214.38 36462.19 18451.28 9926.7 10409.19 23485.32 9525.98 27909.99 13248.35 14601.63 30336.07 7771.14 7669.42 17461.08 20059.75 4426.38 6788.13 9291.86 5958.16 3468.26 9199.36 8211.74 3565.64 654.33 1665.35 8600.61 11089.5 1436.75 1085.42 3171.63 5572.38 11819.99 4874.5 4100.67 11136.25 11948.44 7338.2 6931.86 1177.88 8386.17 8311.67 5945.99 1286.01 11386.88 8773.88 7420.83 3733.08 3937.86 10182.26 3011.27 2402.2 3029.05 3041.21 5331.2 5258.31 12001.57 7557.79 5510.14 10498.32 12246.16 6107.64 7783.16 2227.81 5619.52 6295.69 9800.05 10319.64 9844.3 9471.23 9486.21 9438.56 8998.82 9816.76 9798.56 Isoguvacine 1961.72 1588.84 3032.55 2034.48 1351.91 3963.62 2923.63 2038.14 2938.96 1569.14 1561.48 1738.51 2703.58 2675.3 702.03 1536.79 1941.55 806.24 1661.29 1919.57 1626.67 3753.39 1387.81 1200.78 2185.97 1549.94 1113.05 1231.46 1170.54 671.11 941.56 4278.8 853.5 4034.22 2941.15 4741.77 1024.76 1530.26 1099.29 750.09 2601.17 2593.22 1452.55 845.89 2870.81 1665.86 2297.09 1678.27 2691.16 700.1 1700.98 1336.4 3343.04 3815.03 5455.31 1082.25 1181.15 1132.19 919.3 2726.65 1155.56 774.76 1369.86 1907.08 1306.32 1181.93 606.8 1391.21 1030.37 2130.52 1295.69 1156.35 1382.12 2693.39 1553.72 9915.11 9766.11 10402.69 9615.6 10414.93 11279.55 10239.18 10096.08 10624.26 9853.33 10141.79 10339.26 10251.04 10890.46 10839.45 10023.28 10786.18 10935.28 9797.75 10472.35 9818.59 10451.41 10096.33 10743.6 10114.85 1398.79 1693.61 1606.78 1439.26 1386.01 1589.3 1727.88 1378.18 1618.47 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine 22240.25 14979.54 6702.71 10695.91 7049.12 31757.4 15734.84 24967.93 28079.61 17544.48 22445.78 14907.26 6276.96 16454.18 20324.62 59862.89 13476.04 19558.78 21265.36 35197.51 31470.65 22358.86 19094.77 17937.12 25725.51 27900.64 21103.64 22766.31 21267.77 14674.42 17747.08 23380.55 44032.92 21050.9 15289.48 21088.14 26904.65 28029.41 15480.31 15930.16 31920.82 34497.17 15070.55 12981.53 23986.06 16993.27 22629.24 20310.25 15765.26 15275.68 24396.43 17597.94 20530.08 21862.99 16387.19 17156.23 17786.98 6434.51 25957.71 5640.29 11152.74 11839.69 16303.43 14314.53 17306.26 17377.65 73686.06 20763.09 19165.91 25604.17 48606.66 18483.99 11024.69 14393.02 13164.76 21003.37 20544.42 17933.11 22004.99 21375.93 20447.33 21388.13 21444.56 20406.17 Cysteylalanine 130018.65 161952.78 122964.28 42902.64 406046.3 172281.33 58979.05 323698.78 471303.48 111123.5 130920.24 110086.55 82305.77 57820.13 212346.96 124653.68 66244.3 131912.8 311665.63 313450.64 562755.53 113690.98 114883.08 130344.06 371515.24 200797.31 83969.87 76795.52 146257.18 28365.61 224444.74 66067.96 201956.1 51094.27 42801.99 108939.93 163730.91 60541.07 39264 42173.77 78279.94 139212.93 69747.37 20797.67 111323.32 47368.36 218725.56 152924.52 97104.59 86499.37 54173.55 124415.76 57874.01 65757.1 82410.83 116050.05 55969.99 7927.39 192611.95 43523.39 30118.11 11448.47 119645.11 32826.41 55920.85 126507.2 352042.75 38879.4 52001.41 362903.72 193715.14 107197.19 58284.62 42785.57 25966.13 107947.79 112913.65 111036.35 111031.28 112122.6 111023.23 110637.86 117083.26 112393.87 (Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide 598.17 3943.93 17092.64 9568.22 590.86 4072.65 7352.62 722.18 549.1 5998.19 8690.16 4896.54 3937.31 5174.92 4234.9 12352.04 7402.4 1075.38 14028.33 2329.48 3138.01 643.84 14987.37 11539.72 1621.86 4537.25 12360.31 6386.08 569.98 2891.3 2115.89 7030.97 2209.95 7993.58 4809.91 600.42 473.23 5608.22 7846.21 4003.94 2685.97 943.24 12024.68 4919.97 3656.17 7550.58 608.16 5475.58 1321.2 2874.54 966.68 1296.37 9838.59 10685.52 3801.76 3964.54 8796.25 2611.23 2648.72 2149.79 4318.81 7150.88 3497.4 10651.43 2874.64 2639.78 757.97 10878.72 4997.71 1206.92 803.6 5275.93 5996.75 6968.55 10624.81 5650.7 5526.85 5527.69 5665.48 5536.52 5846.26 5589.16 5660.6 5600.48 2-(N-Morpholino)ethanesulfonic acid 20976.76 18269.54 5142.39 4627.06 34742.01 29883.89 8033.76 33408.34 32707.62 22194.62 8474.54 15489.01 18228.88 9390.51 25863.08 7235.96 6712.18 22559.15 25956.34 12867.21 32526.1 4202.42 9174.71 6770 36255.25 33445.53 16173.28 9241.55 12627.8 1832.98 24026.34 15488.97 20049.52 8252.81 4463.49 25200.42 23080.71 21364.33 2972.36 4576.89 10056.97 30966.91 3930.17 4709.04 13594.85 9142.31 15701.05 10981.66 7474.38 14697.1 9445.42 17604.89 4502.73 3273.34 6976.18 22786.47 3912.1 4533.59 26228.24 8172.07 3319.67 4135.94 10619.59 5193.29 7886.74 22613.99 22345.06 5197.1 6589.64 22326.04 17938.77 7695.96 7629.15 6115.66 7013.83 14204.89 14328.85 14224.57 14208.19 14597.26 16048.68 14624.32 14431.56 13981.41 Ser-Trp 21002.38 9569.09 5751.87 17309.55 27103.33 25059.46 25815.11 31569.92 35686.5 15842.73 18442.84 15111.43 15125 8675.16 26853.88 23739.84 14541.3 25430.51 22499.94 29622.81 26897.87 5647.94 9029.62 13711.3 23448.47 33581.8 9798.51 8801.15 21330.73 3058.89 20221.9 51465.08 9487.52 14038.64 3935.9 14422.85 19307.08 5792.92 6765.11 3475.07 20665.42 21628.88 27666.86 3614.66 15154.37 18347.88 21801.21 11475.37 9135.52 12529.71 14989.22 12155.37 10071.49 6575.75 12712.22 10996.04 15916.73 3647.9 18018.03 7051.01 4167.8 5701.35 11859.83 4666.37 6066.68 14897.18 37750.85 6431.43 5672.02 16204.78 14005.16 8003.94 22581.13 4348.48 11384.14 15253.25 15252.68 14928.86 15278.19 14926.85 15185.72 15286.24 14853.09 15265.32 Asn-Leu 28165 24366.76 19085.73 19526.76 18808.74 27785.56 8737.28 17670 13519.38 16355.24 16374.08 28775.88 21155.1 22820.03 19203 15520.48 28987.43 18386.7 20214.63 25895.92 20331.58 28354.37 26468.23 19909 7354.32 15447.64 14132.53 27824.91 23025.67 7563.46 14755.09 24981.09 18870.99 26590.71 23383.85 18540.7 10918.07 11832.31 18967.36 14393.7 19961.46 25183.66 12770.7 13818.8 22115.9 27484.72 31986.68 19906.7 22794.61 15273.59 34794.17 8262.82 18884.22 24916.86 10995.73 29268.83 14226.36 16433.41 14998.3 11397.9 13161.9 12025.67 17315.18 29265.96 13958.54 18806.65 10734.57 20436.69 8564.24 11086.98 9576.93 11242.32 27799.16 32168.68 5757.32 25878.79 25105.61 25144.45 25872.62 25966.57 25879.18 23407.39 25196.83 25902.83 Radafaxine 27173.78 3004.54 584.6 819.39 43355.89 2375.28 23856.84 47364.11 53985.86 13810.96 31777.3 28132.11 12562.8 13495.49 30177.77 30258.88 10468.81 54395.42 17156.82 85493.15 41571.36 21790.63 677.47 19697.72 34286.16 17803.1 9809.74 8850.03 21738.81 544.07 36940.97 18839.1 7740.3 647.1 1466.03 13734.17 26213.98 2098.6 5924.17 1505.94 20830.08 22289.62 897.51 6781.54 29801.98 16200.61 36577.67 14660.89 7303.91 18151.43 15064.66 9239.67 9845.91 18001.37 15948.97 1946.87 1111.24 2102.65 22573.79 6303.19 6376.72 2822.59 8642.21 1177.27 2852.57 20314.32 28103.73 9278.65 18733.77 22694.66 14588.36 668.86 11832.99 1470.32 7285.21 19281.97 19586.47 18968.09 19250.6 19102.07 18513.79 19008.02 19260.78 19228.86 Leonurine 383.9 1871.44 3738.07 2754.22 2391.19 589.3 3272.85 3009.62 3044.9 3191.23 8738.56 1854.31 6595.05 4120.38 1844.18 2403.54 6178.03 3889.27 3178.96 1128.69 1013.15 513.6 2921.43 3302.2 4851.22 4297.26 4917.72 8993.05 3525.69 1283.49 607.06 1298.82 1810.47 14398.83 15035.35 2395.29 2588.25 2841.05 1333.47 11026.49 1996.3 2045.88 8681.04 1807.08 1160.57 11632.24 3489.65 2727.32 6329.98 4460.33 4212.28 1490.28 22809.5 24175.76 10247.91 2317.97 1579.64 9471.31 2561.65 3755.51 1420.24 697.11 1829.83 33262.02 10134.59 6851.76 565.67 2384.72 2098.51 2433.09 2386.83 542.97 13474.22 31804.62 4620.09 4992.2 5182.71 5172.97 3731.49 4883.02 5098.4 4911.82 4877.22 5440.07 (9alpha,15R)-N-(1,3-Dihydroxypropan-2-yl)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-amide 9340.12 3856.87 13013.86 1110.67 40407.23 11414.74 5541.67 3377.41 8911.85 11074.07 12335.78 21582.5 16227.41 54142.67 17216.57 3240.26 10736.25 20559.97 31048.93 3865.01 17829.05 800.27 2516.78 4935.7 22110.57 4612.35 5631.56 14120.92 9673.16 19418.15 20102.31 35183.72 19682.12 1481.59 7306.17 28582.94 24290.37 2976.65 1109.09 7073.47 38337.93 54856.82 7370.22 10394.45 31651.76 12934.65 18149.94 14896.51 21467.45 133165.53 10337.03 3537.91 9207.72 12329.58 12389.62 2426.22 7812.13 1553.9 10082.11 1768.28 8817.39 6572.26 10611.69 5004.95 8428.6 13014.93 4359.56 16192.1 13647.33 5008.93 2630.43 6142.63 15708.35 2391.8 7584.04 12027.38 12566.73 10867.24 3137.98 13125.12 12730.78 12607.65 13262.13 12246.55 Glu-Asn-Lys-Asp 2634.69 36165.97 16133.13 557498.11 2018.13 635.94 12499.56 61192.46 71504.65 21735.95 95834.23 74218.68 594202.03 1951.56 1840.8 71408.95 833.2 33521.44 3624.71 61327.09 143919.63 6023.34 27188.67 29634.74 62198.78 49385.62 745.64 1398.25 5793.15 954.72 53732.03 6431.67 46597.68 2043.78 87308.7 57180.62 45513.35 50108.23 548.49 765.88 27020.61 2412.22 40216.5 23368.79 61246.5 141856.01 380.35 65436.93 2352.43 3958.79 1383.85 33879.45 756.49 30237.86 384.59 38086.2 17757.83 14263.98 36588.26 26024.5 19201.26 1449.87 64974.8 391.66 2414.95 40312.63 34434.84 1295.31 3262.07 70483.39 42193.33 31707.33 30108.84 219051.4 23301.62 43827.96 41509.2 42149.27 42024.11 37603.17 42203.58 40883.2 37031.29 37903.87 5-cis-15(R)-Iloprost 491.14 4533.71 1663.76 3646.31 14682.55 2351.88 1453.42 10387.46 13201.03 5257.36 1080.96 771.11 3041.43 1310.11 11921.74 3779.49 2221.55 10798.22 6145.81 7659.2 2994.1 3482.45 794.91 1198.83 9040.73 12396.89 4222.67 2078.92 9647.86 484.68 457.46 2350.71 11575.1 2103.09 3807.02 5095.49 3623.85 1477.92 605.02 4887.47 549.82 575.45 4251.13 868.55 1285.21 3207.72 3390.04 1573.59 1525.48 1766.71 4293.89 1235.55 5689.42 6612.35 4879.47 3859.25 3650.43 6028.87 5351 2890.13 973.74 409.81 4956.4 11716.71 7699.17 5339.76 536.19 455.3 641.19 6551.7 9580.71 702.76 2909.36 12072.05 808.6 5075.87 4953.66 4974.9 4885.69 5003.3 5052.76 4747.21 5357.64 4712.88 Glu-Thr-His-Glu 14167.59 6039.78 129154.62 120018.68 39497.43 2069.83 115226.77 79227.83 93611.95 90113.29 226347.39 165056.15 129455.81 13940.27 149026.95 155618.73 44651.49 165484.05 74751.61 6293.73 22962.11 1908.31 37162.75 117486.98 87966.67 67856.11 94361.53 118766.03 22023.54 2419.03 866.1 3747.37 3553.72 209269.66 281403.25 1814.92 101442.95 893.03 4135.29 229133.77 2499.18 5935.47 151515.02 5824.07 25353.39 83463.84 112414.5 90800.18 2111.96 13143.2 12218.52 78248.43 200962 188774.02 61085.12 2947.35 55022.77 194900.56 55405.69 6256.37 6215.56 37082.42 214152.62 362978.01 185119.78 199055.88 59356.72 12629.92 57520.13 77199.46 31309.28 8343.62 124828.88 389994.66 142051.16 253709.17 196549.18 230194.51 220185.31 326847.59 224460.35 350529.61 203629.97 171268.87 208742.33 316465.32 136855.33 383530.96 184778.36 148521.01 226846.96 227726.69 241753.8 381446.59 231996.36 393961.5 267906.93 313446.12 233912.63 227015.39 115499.67 115514.44 117625.91 111375.2 114120.41 114373.34 114159.62 115131.85 117228.01 Propionic acid, 2-amino-3-ureido- 7317.38 11415.54 18976.38 23276.63 11208.09 20478.77 27357.63 7233.97 7273.46 11060.52 14898.08 13595.96 12901.17 9420.55 10379.42 22110.64 16014.04 8813.53 29248.75 15086.99 10911.7 10662.61 25910.4 19524.95 7706.56 12110.84 11161.39 9932.72 9691.23 2558.53 6995.96 17976.12 5464.42 13567.5 12179.79 4688.41 4714.05 8851.01 7014.03 7633.62 5826.28 7843.74 11404.54 5589.59 9132.56 17750.77 8811.64 16045.58 10274.74 21138.59 4647.78 4522.36 9840.02 16155.25 3020.17 8227.31 12196.9 9802.82 5512.16 5704.07 8167.45 10794.88 4768.48 13960.14 14663.79 3784.83 8659.97 7425.09 9205.71 4423.46 6484.86 7848.56 8609.97 19448.99 17005.92 11549.01 11837.73 11540.79 11740.97 11534.42 11541.15 11343.22 11720.31 11725.15 4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid 12847.39 14867.48 32363.56 30840.4 9247.43 14845.44 8506.38 13445.25 57651.34 9926.46 90330.65 13297.91 4468.69 9795.23 3274.28 21423.41 10402.51 16203.23 12092.12 810.73 29063.92 12740.59 14287.66 17433.68 9523.28 10820.95 12414.01 11705.07 3092.12 8270.88 11595.17 3011.89 9393.87 3304.7 11420.25 1730.79 12977.61 1514.22 2860.41 16758.75 7096.74 1536.42 9220.65 1026.45 6030.23 17259.44 6394.02 1742.97 2858.99 3327.89 4999.12 1360.85 9994.67 21723.79 9875.22 738.29 37344.38 44429.14 2487.08 605.49 5853.98 335.84 51773.2 21982.62 4359.19 44810.48 11639.51 3014.45 13245.63 26630.07 4192.04 10819.04 40549.58 39203.92 20924.71 19072.5 10621.03 6025.83 11023.52 8139.24 5746.18 8411.54 6931.19 7726.43 7067.34 25691.22 7642.31 6695.66 7365.49 6218.14 7581.85 5746.47 5654.77 7585.42 6121.85 6070.98 5020.94 6315.74 5548.87 6858.31 21666.65 20720.92 21024.9 21750.01 20868.49 21386.89 20587.68 17109.91 24737.24 4-{[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid 17593.89 2066.13 2211.09 2381.83 33726.41 21774.56 2158.82 24483.55 21617.97 5901.2 4404.79 20172.29 18113.09 2744.04 19693.12 8966.35 2131.29 4498.65 3258.96 4366.62 17627.94 2045.89 4237.92 2317.84 27712.13 15545.95 8529.39 3326.83 22937.21 3622.76 22386.46 38380.23 21610.18 2367.77 3434.36 16033.67 4413.87 6688.94 1742.99 3451.92 5284.39 26047.53 3151.9 1589.33 25084.29 2758.87 13911.59 5912.65 7831.47 9832.01 11674.51 8018.13 1081.72 2919.04 7098.57 31242.38 6935.53 946.71 24351.72 16860.51 945.49 1271.99 15932.54 4384.43 4169.68 17772.7 11316.68 1849.95 1489.07 23959.5 25104.16 6515.39 5278.87 2301.97 3083.1 8304.41 7588.05 7992.12 7953.62 7953.72 7800.21 7949.56 7698.91 5650.39 Egtazic acid 66059.19 61975.25 31357 47383.64 121756.76 1045.38 226721 126106.73 129506.06 100492.78 272981.79 484407.33 367503.68 300195.01 113161.26 338564.69 160963.43 125811.1 380370.72 127229.65 133736.68 968.57 99919.09 210286.57 122007.01 69550.64 169668.96 98797.06 130039.32 57953.72 143335.26 137184.49 43057.18 112719.48 77344.1 83353.05 51125.86 618.61 86817.02 48111.24 49881.57 91856.3 77490.49 105877.03 114799.07 233205.14 163699.84 320973.87 140566.72 380506.21 7196 60378.01 79406.33 168577.92 54251.84 60627.19 61212.31 29942.33 84892.08 538.34 80860.24 36287.9 53923.81 59185.63 82928.43 84846.67 111666.97 123747.74 210314.37 79078.14 35878.35 54763.59 136307.29 45576.85 178944.31 117860.03 115337.26 113514.06 113518.93 116490.69 113776.46 113266.16 113498.92 116473.33 1-(1-Propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea 10980.51 9755.31 10458.11 3851.19 7448.58 2763.77 425.4 4182.11 3297.41 1875.25 5307.71 5485.55 2007.42 4010.92 9322.11 7185.52 7365.98 9694.53 3370.87 5235.25 1578.26 834.51 1282.74 11161.96 5198.66 3523.9 1256.71 1197.12 631.44 2123.75 2156.87 428.35 2657.39 882.76 1165.6 2635.82 4550.52 2015.1 2080.58 4243.61 1409.37 2609.98 981.03 2304.03 4017.41 3736.45 8874.54 1719.12 2746.94 8499.56 1117.84 2313.84 1910.88 1685.27 2707.36 11986.86 12892.28 10821.33 4021.34 1552.07 7168.73 3431.84 8526.6 8271.64 10542.42 1505.84 6769.49 3898.24 9351.89 9507.01 3863.93 894.73 2268.19 11002.2 9653.73 6005.13 5122.79 3538.47 3288.38 4064.38 5785.5 6519.44 6173.41 1080.92 3207.48 5870.61 7321.72 7209.11 7587.56 3197.71 7603.46 3313.27 6207.3 6858.99 604.59 3345.54 3074.21 2204.34 2358.35 1066.74 4300.86 5310.13 4982.83 4872.18 5103.7 5093.08 4907.88 5108.13 5049.3 2-Methoxynaphthalene 54273.55 33342.36 21193.62 11891.54 22747.83 33348 17234.81 71905.09 67051.74 35407.17 33873.63 19553.55 42439.81 20745.41 68855.8 46925.36 34768.19 20665.5 8619.94 52104.09 48424.04 93668.36 24515.83 27160.9 13135.91 12259.86 11481.61 5584.18 100617.95 21917.6 25506.99 503.71 48999.7 43142.85 32062.43 31716.23 18085.01 18477.99 11460.25 7335.93 38580.73 63795.29 11609.78 6915.95 40071.41 18075.53 23468.17 16350.9 28042.12 28570.56 68725.11 57115.23 25463.38 26952.36 25942.75 54374.57 13887.12 2783.66 53835.42 26024.03 27390.67 47312 60341.41 35847.48 42721.25 29763.62 14892.32 34028.91 17804.12 37747.7 20396.43 23583.11 6279.77 6244.02 10390.12 33855.17 33963.07 34347.18 33744.26 33741.7 33739.82 34038.85 34042.61 33758.71 3-(2,4-dihydroxyphenyl)-1-{3-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}propan-1-one 7227.12 200.66 27.65 49.81 132.88 287081.82 21803.7 4241.14 173.47 48209.06 74.35 235.45 38.46 358.01 1501.63 165.14 2280.6 200.12 175.31 5112.12 6945.99 56811.66 683.35 170.42 4728.24 62737.62 1207.26 116.54 116.15 273.79 127.72 81.49 19232.3 5468.07 120.13 78.58 49.5 76215.37 644.51 129.64 55.6 8482.94 35.44 28.44 197.9 61.2 9306.54 59.3 84.83 178.29 7589.46 1015.47 39.29 102.66 3686.61 16.44 41.41 295.48 16.02 76199.53 294.62 642.02 818.49 101.42 90.43 4890.29 368.1 75.99 52.65 5424.3 24.8 33578.05 126.01 40.71 63.33 11896.01 11832.56 11973.11 11819.34 11896.5 11640.62 11818.56 11897.73 11849.42 L-Stercobilinogen 29452.75 16316.5 13501.26 12432.83 356578.4 37814.99 17568.79 179451.14 35273.5 185882 26986.86 322109.11 41838.86 69071.19 176318.95 20197.06 15182.48 321006.67 251997.05 13317.73 73945.82 52533.75 85054.9 35806.26 293312.23 25995.45 14978.25 28615.76 273938.46 50239.57 18849.95 238860.18 199715.38 51678.58 8613.14 110960.64 189188.66 9763.11 23831.86 5907.09 15799.02 285136.92 36139.9 19233.5 382739.65 28901.47 32022.34 31380.35 246886.09 254561.97 335172.38 166941.16 137338.89 10302.87 69318.03 39665.69 3805.16 11416.28 69224.86 17258.99 22573.62 8948.3 44108.04 120825.76 24445.07 46589.14 20409.63 55977.56 8825.89 183719.81 8565.53 149996.23 13536.04 23163.88 14018.12 1191.48 1238.41 7757.24 866.37 936.69 920.46 967.85 1205.38 1315.47 665.94 2352.11 918.96 1185.62 2163.07 2766.66 1059.3 1097.34 1175.53 2250.3 815.6 1929.1 3270.02 172655.36 171606.3 171642.1 172578.79 167365.2 171609.48 172641.12 174640.62 172639.18 Hydroxyspheroidenone 154958.93 148282.03 216224.9 202242.41 140104.52 170663.95 154584.95 117901.73 167207.52 189026.56 162760.81 119003.3 97403.6 144799.67 115725.69 127674 250570.44 87059.17 106404.6 120851.63 173362.59 158509.36 148543.95 104076.2 108768.85 187692.1 142922.9 121422.5 125813.51 501678.8 179236.57 121110.15 283152.8 163350.75 189602.98 123367.83 199007.88 266540.25 226594.57 225769.07 303783.96 125579.77 135723.28 221430.86 107772.22 125668.13 103157.82 155839.08 115860.29 108843.41 173615.65 166513.08 139420.1 149913.74 164983.55 152827.48 235533 199048.07 183544.23 185864.23 224139.15 160998.34 167297.18 171307.92 168204.7 141271.22 150131.48 133301.15 123030.73 143113.41 192364.36 190045.55 206559.53 175921.79 214421.14 169884.92 172166.5 170076.59 177834.51 169779.5 172152.92 169769.07 172218.36 170230.06 xi-7-Hydroxyhexadecanedioic acid 95883.72 89259.36 69137.52 183301.19 608553.64 727086.51 814381.96 141801.84 89649.57 128143.05 94735.17 102515.87 216243.25 79919.49 51880.61 62571.68 47306.03 50268.05 28605.85 3497.65 173870.63 183573.57 157017.04 102735.89 95117.52 65553.27 30897.81 57320.9 208268.02 30033.22 68246.87 131864.04 75965.13 86762.88 67549.71 98707.29 101301.46 84706.11 133439.16 53594.62 153026.54 375405.57 86881.57 38839.8 134983.59 196776.64 74478.88 45291.41 75262.15 151325.74 207147.49 134991.54 99597.84 82585.56 200986.95 84085.49 31264.32 43536.81 86477.91 24906.58 63670.3 137940.04 95201.55 64653.83 42899.24 180463.73 42219.19 44974.55 31522.73 60806.84 4541.67 67652.69 72500.36 94778.31 55221.87 142345.4 142327.09 144127.98 143641.57 142340.66 139973.78 144000.97 139720 142745.71 Undecylprodigiosin 540678.98 687427.31 267963.97 224811.25 331853.37 1161328.48 202552.65 108465.26 58580.94 235242.68 552093.73 145169.06 264296.01 326943.68 536593.57 254956.54 202539.06 361154.1 230231.87 184137.77 6522.47 24882.96 195707.6 10433.72 7937.74 281993.6 231458.28 173131.97 164335.21 33870.75 170451.25 132220.11 256093.68 115795.61 389046.55 121552.31 326126.78 182809.45 226795.18 305295.93 100926.95 258738.01 80962.42 657568.11 151020.83 152413.43 99456.49 177264.5 187986.16 108777.4 221782.12 16220.15 13243.45 16876.47 65613.15 832663.2 601472.3 436796.1 9747.93 154542.97 300967.83 211352.32 271562.36 159734.29 182337.55 254874.92 270732.82 205831.54 212719.04 170311.88 233167.76 59310.69 275626.74 109687.64 197890.56 119219.9 125724.38 109964.21 119150.08 107340.14 137093.1 106735.13 98269.81 49859.25 O-succinylcarnitine 46554.06 79122.54 24708.57 30100.58 95292.18 6327.08 64947.29 62875.09 60468.05 54456.51 62128.84 83178.13 81980.25 56824.41 57624.02 73154.48 42901.24 54903.34 135331.66 76897.81 70249.7 1574.04 62708.34 57028.75 71051.08 9208.34 54642.9 65141.55 51747.4 18106.47 83518.17 71232.96 26628.51 41790.75 31324.59 38082.63 42547.24 6291.16 32883.38 23011.51 58832.27 59383.04 33414.65 25670.36 49792.53 71799.48 44654.59 42799.59 43931.18 57436.14 43758.5 33346.46 47523.88 76031.85 50742.35 32862.51 26589.02 3571.24 39742.33 1621.79 21454.76 19766.42 31166.34 30978.66 29900.93 51484.55 51799.34 42807.9 43502.39 40954.7 41251.41 29602.9 31517.16 24399.02 50326.23 50797.18 52848.68 50721.38 52820.15 50710.2 51984.89 52012.58 52035.38 50774.74 Yuzu-Lactone 66568.61 71578.02 22988.46 23725.93 31354.32 63937.07 36395.98 42051.81 109188.02 85868.86 99715.7 67805.8 35776.19 31649.18 103368.67 42712.58 79841.44 65524.15 39886.02 46956.23 89530.34 87926.45 25575.54 37744.74 47123.92 97151.79 36100.57 77830.96 83329.31 41405.94 110724.44 38195.04 77635.7 58752.61 45031.97 73394.09 87002.05 121668.1 60425.82 55474.47 33185.15 94017.91 38784.28 46018.74 47934.43 41062.01 86128.86 97477.61 19224.28 74692.61 75662.09 43583.89 61799.06 39822.54 40002.12 42420.65 39665.29 27682.54 81453.74 34004.96 74444.22 24966.32 39361.08 34138.71 66251.45 54563.18 52621.01 32773.78 43170.04 51004.33 76673.42 114445.48 66748.08 62756.17 32321.98 30849.74 35222.52 33583.54 41848.81 18242.4 44177.85 39828.7 35270.62 23388.52 42325.04 43823.27 20616.73 40987.86 33613.51 38991.27 37687.88 48052.94 39528.62 35645.64 24134.99 45302.12 41817.06 43844.11 46895.48 36410.37 53471.21 48395.02 47552.93 49187.91 51238.7 55255.54 48418.54 51875.58 48284.47 9-Demethylmunduserone 1442656.44 788400.37 149244.14 220415.28 1835868.72 987410.72 481051.1 2262536.38 3126380.61 671864.28 529505.94 721875.4 176892.32 304239 1634953.09 947341.49 468008.86 2082856.62 833938.89 4056773.69 1924433.06 376630.04 208157.43 277937.68 1739327.71 1331771.66 406894.69 556772.46 2886674.66 543065.2 3369929.41 931434.53 1451268.18 221717.69 279921.32 1291840.26 1645659.78 610159.14 286707.37 455375.08 1647082.4 1930629.91 300160.66 238463.31 1869896.57 319026.44 3779813.73 733732.6 502678.28 1670847.51 840222.53 592152.97 284769.51 352462.07 928533.9 636668.23 133254.44 148867.87 1546439.34 130994.05 218622.52 135184.92 661098.1 403687.98 677617.9 1050155.19 1495288.46 399342.6 633805.25 1875647.47 2297113.13 628424.3 889347.95 538647.3 443994.76 1026943.93 1031417.8 1028730.93 1030453.7 1026965.57 1026944.05 1030416.38 1028092.89 1028905.21 1-Aci-nitro-2-(4-hydroxyphenyl)ethane 5315.5 6411.6 5973.92 6348.91 12789.78 11895.02 19551.69 8878.5 12427.84 4920 8756.27 7905.3 5592.31 4663.12 8951.11 9914.77 6946.51 14927.87 8097.1 22400.22 15388.52 5410.22 15035.27 6230.28 3836.43 8244.46 7078.98 3610.6 10427.1 508.48 10701.13 5944.04 3517.25 4797.29 2826.06 4445.7 4862.39 5688.4 3772.32 2086.45 6351.67 3947.36 2921.08 1708.47 8082.34 23338.82 6211.98 4938.47 2427.34 6844.33 2795.81 3031.32 2226.92 7265.18 2425.31 2375.77 5067.75 1782 4527.33 5492.84 2637.33 3694.53 5579.01 3900.94 4249.9 5744.99 8409.62 3722.21 3615.6 6424.72 4506.95 3482.62 3942.97 4479.92 14496.44 6496.61 6494.35 5916.02 6233.79 6480.59 6273.74 6260.37 6513.7 6281.2 (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid 3135.4 2206.91 9752.31 4269.37 4525.79 10513.77 10416.73 7410.53 2481.86 5759.75 5310.48 4856.92 3176.03 5631.22 6447.08 4856.43 3167.44 5352.05 2017.7 5035.66 1585.72 1407.71 7595.18 9043.52 6487.25 3170.59 3568.63 4502.44 5023.91 727.87 3880.3 4232.74 2428.65 5645.4 4473.33 2303.06 5818.16 6783.46 6141.95 6960.22 1306.11 1926.1 2742.55 1862.94 2118.8 12214.92 5365.17 4539.44 6746.69 4649.13 8419.27 1215.04 10251.84 13153.62 6671.99 2100.74 9084.06 9360.37 2716.6 3711.06 5731.5 3712.06 7310.16 12888.59 7000.88 5601.05 939.44 4842.17 506.05 6136.54 2247.6 1896.53 9353.62 11753.27 7580.28 5468.89 5661.98 5469.8 5452.79 5443.31 5697.43 4146.05 5685.94 5681.5 4-Methyl-4-aza-5-pregnene-3,20-dione 5627.38 2198.5 3522.5 176582.52 479110.11 626262.59 908383.1 9899.95 2595.09 2942.45 3205.52 12136.93 153352.68 2849.69 1316.58 20224.82 5181.26 1223.24 3264.03 156.66 1675.8 2532.24 3260.96 2188.43 3023.99 2475.73 4618.39 11247.43 6718.15 3586.06 635.41 15726.17 1435.12 17578.78 2387.07 5346.13 3542.42 11662.49 13504.28 2559.48 214952.05 18626.45 1186.79 2072.33 2142.15 147632.54 2296.84 2411.97 2559.51 11123.46 18227.39 8926.81 5317.92 13281.17 35074.63 2064.96 4044.56 783.12 5470.7 14696.91 702.55 28190.01 4458.12 3052.77 836.65 13147.06 2478.45 3668.77 952.11 2371.23 1446.86 2286.99 1321.85 6076.95 13523.42 68857.77 68220.87 68948.15 68569.32 68568.48 68569.36 68568.86 68738.13 68775.25 Gaboxadol 31794.91 56306.94 22319.52 14182.58 64054.26 39633 32214.05 52371.14 132656.35 23188.76 30345.12 67212.77 89010.83 22076.92 98796.86 9711.2 9686.13 51803.61 126009.17 60657.08 98606.26 29359 30321.21 24360.41 23991.85 732.83 8966.17 24429.58 57841.83 6738.61 37644.21 1966.4 216980.55 10517.54 5777.62 31995.01 39946.66 988 784.21 6106.38 19385.81 1506.11 18348.24 8192.48 362.27 69390.42 62940.22 176469.16 20921.92 26495.1 15092.55 2516.51 778.12 53002.32 5954.78 18585.95 23461.45 9749.9 32953.3 5744.11 997.6 926.5 27604.67 3329.43 32619.61 5634.86 126116.61 37257.54 684.68 25905.92 91846.42 34622.82 15304.54 8887.29 47882.8 38637.4 37167.25 41152.92 37589.4 37880.36 37432.05 37458.72 37918.05 37724.87 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid 8804.52 3746.17 5679.77 4255.72 9846.65 4761.63 3858.46 9409.63 8411.92 6847.26 7765.08 8106.83 7286.7 6573.06 5974 10159.05 6069.97 5013.25 8943.48 5020.04 8260.45 3307.74 9247.63 6498.97 8470.21 14490.1 8224 7675.92 9937.74 2733.48 7132.11 26345.43 5718.96 9457.52 7538.55 6617.94 14430.62 5283.51 7097.43 4655.57 4919.1 15818.8 7353.51 4655.93 6563.05 6949.01 8212.53 7936.55 9225.96 8422.31 14465.84 8374 8187.19 7369.92 4343.54 6034.72 2608.55 2749.52 7483.95 2637.28 6210.32 4972.85 7275.17 5818.1 5790.38 9100.31 3718.88 5689.38 6732.22 7945.46 6905.68 8620.22 6372.55 7227.53 4886.55 11309.68 9926.79 11633.81 10282.17 11431.3 11308.37 11642.87 10316.29 10425.33 (S)-2-O-sulfolactic acid 525.09 508.67 824.15 404.63 343.46 36495.06 6264.13 383.13 883.65 5478.22 551.09 178.55 269.73 195.62 531 338.89 175.34 418.33 177.09 141.87 886.49 13582.11 2777.2 397.24 136.19 1429.84 2776.51 138.43 279.57 792.88 1364.52 2492.07 1770.45 2117.15 232.23 1257.46 124.02 11048.67 1901.91 1386.16 2288.11 108.79 189.46 224.99 196.74 172.64 211.6 911.31 1181.09 2087.33 349.61 668.9 125.37 232.32 147.91 409.04 777.63 216.75 940.92 10861.82 186.68 1973.39 442.41 180.4 785.13 143.33 716.2 138.98 212.4 112.6 133.07 3178.6 1454.1 338.08 273.22 2653.16 2768.93 2610.32 2496.68 2374.43 2431.04 2403.25 2542.33 2421.65 Mandelonitrile 5353.54 6497.8 5504.16 5494.6 10268.65 13030.58 5008.18 7902.73 10192.63 6887.57 3872.87 4606.86 2614.39 2850.02 9415.07 7001.13 4986.09 5277.67 7663.63 7672.91 8315.87 9733.64 3169.06 3849.37 5591.64 8712.31 3337.45 3559.32 9577.24 1630.78 2913.77 4819.45 7647.66 5765.32 4413.35 6736.81 6899.43 8683.86 3022.86 4136.12 3545.61 5594.49 4785.71 3499.85 3266.54 4081.09 8019.54 7738.69 7815.03 7197.98 3375.15 6550.74 3639.55 4510.71 5224.73 9489.42 4969.17 3630.33 6244.16 12755.31 5253.07 3547.67 4998.36 5423.56 5706.64 5862.48 5941.95 4887.37 4140.03 7358.59 8791.79 5035.57 2440.67 5800.21 4326.95 7934.43 7597.72 7561.99 7892.18 7718.11 7759.97 8351.97 7561.2 7736.26 (S)-3,7-Dimethyl-1,6-octadiene 57284.99 47588.77 49842.98 45693.79 41942.21 50110.19 47516.79 48892.39 45807.07 46177.07 47662.93 47846.05 48614.38 50077.72 47372.42 47455.49 49280.82 47620.41 47117.61 54087.19 46908.19 46931.63 47119.12 56277.03 46558.88 47025.75 46200.48 47294.11 54188.32 48735.44 50976.24 50937.13 47757 50448.1 51277.38 49666.21 46321.78 41589.83 54075.64 42026.45 44224.2 45043.57 43611.56 43542.26 47092.24 38003.49 44324.73 53082.17 44942.09 42407.08 42509.29 43054.54 42109.36 42819.03 43646.93 46369.69 48957.49 43400.72 49451.9 39264.28 50922.76 41507.61 50583.14 50743.3 43109.1 42191.28 45343.61 55333.16 57255.29 53080.32 46103.63 51415.15 44623.83 44799.43 49465.45 51333.92 48733.65 51673.21 51275.36 50806.11 51339.36 49764.09 50492.86 51234.05 2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol 19183.72 23686.57 5514.06 5786.01 70760.75 58483.23 26926.22 44385.17 33603.29 51717.83 25593.76 73946.48 56766.65 32746.24 61212.64 101689.73 22599.73 33021.67 20141.21 37797.57 77287.39 45191.7 15984.16 22083.55 53442.84 78945.21 17804.36 6127.85 105890.8 26433.85 18216.94 102166.2 77433.75 42813.46 20414.65 56761.17 30108.43 39270.68 17439.87 22917.25 46543.4 41230.05 15178.19 9201.13 34983.59 20457.58 6049.8 18518.71 70277.73 43150.73 27526.26 31186.61 24599.84 36129.75 27680.2 31701.26 53518.57 9144.87 14174.29 18422.34 18883.04 23267.2 20609.67 10612.07 24169.55 54907.34 45504.51 54535.72 50299.13 31227.69 26091.14 32460.66 29431 35461.86 38694.37 48033.4 48523.28 48262.51 47566.71 49574.72 47892.81 49307.54 48077.3 50131.02 5-Hydroxyemedastine 7031.04 30563.91 24232.14 48082.54 57942.61 73493.41 83120.23 17482.96 17499.76 14929.12 20328.75 18736.06 49811.8 12330.25 11993.59 41026.35 11671.7 8605.61 19487.41 10194.91 14871.75 51395.43 38348.5 15306.57 16242.68 15096.22 8235.19 16488.63 23789.94 5035.64 27807.43 23521.1 36202.96 18712.11 11468.16 8438.21 7206.04 25180.56 13876.6 4984.53 34775.13 35692.91 8109.17 6671.56 20345.98 40097.39 12066.77 5137.02 22546.6 11781.91 12402.56 12239.08 4630.43 15629.8 9048.55 22888.92 15052.35 24785.33 17916.73 12428.13 7401.75 7348.32 12285.05 22142.69 14450.03 24096 20303.28 7485.56 11992.58 13317.64 8982.08 11593.48 8479.59 13005.17 17674.04 29713.72 32099.21 32090.04 28872.67 30397.37 29021.64 29032.14 29264.02 32105.3 2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol 81295.43 66727.16 30699.94 9364.18 18773.39 593.06 1774.41 75181.84 80334.02 46327.17 58833.5 17187.58 8804.63 32848.04 97475.63 64040.81 36177.57 100415.4 20164.79 54005.98 56163.21 4249.5 19395.19 30159.78 83246.71 37543.25 39059.21 56959.83 55310.92 1914.31 82126.25 11026.8 44283.99 6039.79 7568.64 46684.53 95476.76 2532.02 29099.05 49658.07 2196.19 3333.66 22635.35 32714.74 34116.24 4632.24 114138.64 36327.72 22429.46 44148.11 55021.49 32751.25 9279.33 11917.32 52857.77 38643.67 3341.62 3136.47 57807.08 3131.19 19903.41 3039.97 53788.71 30833.95 62636.8 67430.69 60773.82 39019.11 66897.72 104601.34 106761.88 35927.2 86068.26 35553.58 44099.18 54302 53170.55 46473.24 53019.35 52718.21 53941.84 52717.23 53973.81 52768.57 3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one 21384.22 8107.65 22320.4 24023.07 8929.34 11170.24 16806.71 9473.13 5142.58 6655.52 23571.82 11505.41 28345.79 22189.03 8528.25 13025.37 18501.1 7569.8 8157.34 10607.44 12822.85 1310.14 22484.37 26639.03 13068.25 3906.85 11944.71 7781.17 1380.47 8116.14 2932.21 5152.72 1809.2 5448.82 10979.36 2193.41 5626.95 1037.89 10795.26 5901.8 4586.27 4133.13 1265.75 4472.08 4167.95 14309.88 3496.99 7245.95 11088.65 8004.23 4941.28 6492.1 2732.47 6806.52 2101.4 9022.93 16218.85 8739.59 4632.32 745.45 11214.81 12296.02 13062.56 6757.65 7034.09 4648.03 3846.59 12381.24 10515 3473.68 5397.54 4184.14 2616.93 3861.25 18566.85 5666.7 3849.38 5494.04 5672.49 5729.22 5491.07 5428.35 5423.22 5475.32 3-Hydroxydecanoyl carnitine 3356.75 2002.83 4629.11 32536.87 169663.93 217325.38 137585.68 2984.3 209.62 1051.81 2006.4 5465.21 30399.43 2730.34 1975.62 12046.88 2376.45 341.15 94.22 242.7 1421.78 3958.25 5775.45 3674 2372.26 377.83 1709.84 2320.92 5140.85 2124.18 474.75 2515.26 1205.12 1802.61 1414.4 2637.65 1950.46 3985.51 4327.09 1718.94 43723.19 9373.54 1400.84 1693.93 1717.51 29328.94 890.84 1939.9 1265.51 3444.52 7646 4008.73 2915.57 5310.67 11453.32 2069.46 2158.92 1147.69 2071.89 2747.63 3150.36 3308.61 2762.42 3720.28 532.38 7414 2476.79 557.37 1463.29 714.77 455.19 941.84 1007.76 3606.11 2353.38 19012.28 19128.57 18953.8 18953.53 19012.26 18952.85 19011.81 18953.5 18953.01 Ticlopidine N-Oxide 17044.87 13718.05 7621.84 9424.03 20369.93 35358.55 8441.64 24315.98 28623.03 18012.84 15703.7 20856.01 20924.56 14865.48 14114.54 17039.74 5538.12 30290.87 20696.95 37884.59 31367.17 24028.2 15207.6 4505.82 18489.58 20558.43 7046.42 15335.12 15811.2 7876.75 21293.35 48925.1 12037.56 9666.52 7375.99 24901.76 11992.11 15435.2 4971.01 3458.2 16510.72 27757.52 5786.4 5135.56 21786.28 8844.4 15622.03 11866.86 15488.32 27073.57 8661.63 10323.26 10751.38 11019.4 4444.22 12923.22 7250.09 1486.79 10036.89 3596.11 4812.26 2643.18 10195.03 4412.91 7677.09 19432.35 22472.88 6720.1 14003.67 3455.47 15384.91 12520.41 7968.61 4789.72 9489.26 15836.48 15817.95 15833.75 15607.14 15459.62 15441.08 15218.96 16046.29 15437.1 1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 4190.12 17764.6 1045046.67 34143.62 491969.15 6010.79 73692.36 93848.26 55949.77 20820.68 27188.19 44068.15 34392.68 14520.78 41037.59 227601.77 124109.15 15997.14 651401.11 37381.98 182113.78 16586.4 803859.46 100771.1 162813.04 2460.01 19325.53 8676.28 779445.11 29559.96 1799.68 74801.51 538134.45 106381.61 57898.56 219807.8 36587 21559.3 2099.21 9351.42 10347.01 19733.53 98271.86 38099.33 20501.81 28254.18 97944.29 297688.17 642530.89 85501.82 29188.05 116038.53 121907.98 71548.31 191071.54 26009.5 102241.46 19885.45 83702.39 7122.59 49234.67 18661.85 160650.43 484230.88 125705.75 39502.06 6412.99 18227.9 3179.49 180149.8 16807.72 10213.9 45172.21 68483.86 43600.9 99595.54 96846.77 95487.08 96212.78 96147.06 98134.4 96142.12 96741.03 95644.41 3,4-Dihydroxy-5-sulooxycyclohexene-1-carboxylic acid 13364.19 17680.38 13592.09 15513.67 17134.74 50441.66 10687.93 50609.13 34993.46 4777.42 14162.75 10619.72 2216.81 6277.85 28335.67 14277.15 8753.62 55503.49 8868.03 39944.83 40630.16 17465.6 5224.54 7157.67 17136.33 27475.45 4104.75 2228.88 20068.9 903.93 14901.82 6452.81 9927.35 1330.34 2629.65 10889.28 11117.95 14048.48 2520.61 2532.27 10022.25 14054.08 4215.48 4967.89 16780.42 4862.38 25833.27 8007.1 2920.1 7058.16 6041.75 9494.89 2414.94 4079.33 8100.95 9880.18 7644.19 3724.7 9377.23 6503.25 2487.09 963.83 14674.07 4139.96 5794.31 6160.56 19075.24 1587.87 6873.81 15430.91 17518.08 5799.08 3175.99 5299.79 10922.01 10948.6 10644.45 10642.85 10639.78 10683.57 10639.57 10780.98 10105.12 10781.34 [2-(methoxymethyl)-5-(3,5,6,7-tetrahydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 52669.13 24422.52 3119.61 1436.83 47558.57 5043.07 6453.23 69094.95 60830.34 32965.18 14703.91 38522.72 3261.08 26220.92 41518.16 75769.09 16798.37 100736.83 40040.15 72124.21 48142.14 6657.15 12632.68 7154.76 80216.44 57633.46 55447.8 37942.48 118525.15 53264.5 107826.97 53598.09 38576.02 15667.38 5297.64 90195.32 63778.06 1856.59 5761.64 19142.03 72891.14 78899.48 3233.14 10417.93 69351.63 15210.14 80697.16 23030.66 35537.44 57114.31 77275.34 10917.28 4737.72 7980.8 28516 11853.12 2685.95 1657.88 38867.87 6802.78 2660.11 3268.66 16476.05 6527.87 19121.92 36956.45 29586.9 20417.48 29288.73 87487.57 46367.2 25127.41 55021.85 7173.22 8317.66 43124.4 42857.45 47241.83 43489.07 41505.34 45131.63 47538.67 45913.81 41732.8 Tovophyllin B 6465.89 93944.8 5048.85 47424.05 11606.33 172579.11 4380.16 17551.92 12424.65 15889.29 5853.17 6724.32 31282.13 81143.2 57242.79 12512.44 26200.15 19323.49 13232.98 57179.12 17167.23 89939.04 2197.67 6726.55 18395.85 30951.68 4031.65 5535.8 13577.1 18098.34 21027.31 146982.11 4657.5 5320.02 3325.58 7839.39 2821.54 74256.58 1790.62 3094.79 16911.96 114278.2 4790.16 8131.63 42460.29 57110.64 13095.66 4114.57 19820.06 120058.08 22959.17 113549.21 22587.11 81156.08 19201.65 114706.48 3787.97 5667.78 3634.02 49605.56 938.09 2507.67 26127.68 13614.12 24532.48 29163.56 167155.67 3002.16 14160.4 8586.06 4060.03 1997.75 8525.18 36013.26 12134.32 24631.02 24479.43 29141.11 26146.05 27038.68 24431.69 24216.64 24288.18 10487.47 tetracenomycin F1 methyl ester 474.48 738.36 1892.57 677.62 781.6 1056.22 943.69 1297.81 1888.8 12521.36 10578.91 484.2 204.78 992.68 2289.34 2975.42 18772.42 1740.58 1119.08 980.35 1165.66 2814.68 471.74 966.39 1952.38 2358.1 2133.47 601.95 2763.58 2290.49 497.48 898.9 1648.72 6334.07 6127.29 934.09 4387.63 6849.07 761.92 9988.56 1289.34 335.71 8808.9 1207.05 342.39 4795.88 4107.47 1050.17 4671.12 1971.55 2047.98 330.83 21606.27 12139.08 28938.67 1263.19 395.88 12930.11 4554.25 8087.06 1414.29 1131.48 1847.21 11323.79 7627.91 1255.34 401.18 1340.09 402.14 310.83 1561.22 369.55 9194.15 24732.96 523.58 5493.06 5871.29 5131.97 4975.29 5704.51 5777.98 4749.88 5333.9 5900.74 Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)- 33469.57 23390.34 5269.64 11696.69 37110.87 29709.71 21050.89 35497.9 34035.11 21179.64 19299.63 31329.88 32714.93 27085.22 27970.65 25165.28 14531.55 45634.95 34669.75 26206.05 24600.89 10633.52 16343.7 15511.47 35799.47 32208.18 19201.12 22848.85 56242.47 8155.37 50968.8 98448.24 20112.74 17340.95 13259.84 44610.26 31759.72 21737.95 17292.93 14437.98 34230.48 77575.78 17016.34 14461.24 46549.74 28679.36 43821.67 25452.72 29916.64 61023.65 43626.43 34859.4 19362.53 22281.67 24379.22 28009.38 7189.74 5691.27 28795.94 7152.4 11586.3 10896.02 23460.29 8018.66 10306.75 35877.56 18239.23 16848.99 15603.35 25822.48 28641.94 25167.84 17107.27 12605.85 19412.23 27158.1 27613.75 26999.31 27198.44 27066.57 27039.88 27064.45 27000.9 26824.64 (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one 28745.47 5762.81 811.03 2845.21 15184.95 4439.15 4981.83 34915.13 40553.07 31429.94 22603.38 36676.1 31924.32 25079.52 28734.17 28380.48 12701.54 53619.82 34107.07 57757.56 34591.64 2362.49 1610.1 15802.43 48120.75 35573.07 13382.12 23924.21 53041.71 10626.7 86822.87 39269.5 16676.26 18479.23 12326.54 48703.66 57901.35 17565.65 7159.17 4200.74 91797.98 93212.28 4073.38 5023.95 66321.42 28841.27 57953.24 29658.47 21010.05 38773.73 24736.56 35703.27 18923.23 17455.45 15805.5 7540.25 2257.79 472.96 12465.86 11675.15 11613.33 8443.69 11484.63 14296.83 2207.33 45768.37 45528.54 22225.11 11490.87 20720.37 12395.46 19067.27 6402.8 17633.08 19295.84 28007.24 27104.27 27267.05 24751.96 27175.12 28027.32 27313.91 27124.34 28076.44 6-phospho-5-dehydro-2-deoxy-D-gluconic acid 849.01 4082.85 5534.15 4379.68 5575.28 8137.04 8965.17 2909.72 5358.1 1347.33 4798.61 2841.09 315.91 908.68 1941.89 5627.58 4953.68 2188 847.14 7435.32 6987.17 4182.08 442.34 3063.82 453.1 621.95 428.65 289.7 3158.73 689.1 3195.16 394.94 558.27 338.63 2049.92 1073.64 393.09 898.79 399.11 301.48 664.49 1953.47 875.65 861.75 1077.91 4664.69 3728.72 1018.11 859.21 733.93 1224.27 923.08 782.32 936.01 403.54 1078.36 12941.27 6073.41 829.7 1128.2 885.7 420.54 1092.09 2206.36 1580.11 530.04 8605.34 2974.76 2863.54 1467.46 562.63 662.55 1234.84 2446.61 3578.75 3028.74 3154.25 2959.43 2994.19 3003.07 2799.69 2959.81 3053.2 2994.3 4-(Acetylamino)-3-methoxyphenyl hydrogen sulfate 36670.45 15814.87 2130.35 7952.09 22704.16 23239.57 12597.72 42735.15 43312.19 21075.16 17000.52 30916.28 4159.97 9153.92 19241.71 33542.95 5404.7 31797.25 14256.44 42127.31 39885.46 38154.01 15650.3 1376.59 26618.17 27355.17 6175.38 11733.03 27346.91 6023.4 33885.5 7193.36 9718.81 14309.71 8046.7 14957.7 17683.4 5334.05 780.6 5023.71 14226.41 16048.34 3386.3 4867.7 19418.57 21576.42 30291.24 12961.22 15979.53 17172.69 16373.33 10869.77 709.61 9516.87 7469.19 5588.86 3301.76 3850.34 15363.11 4736.55 1019.76 8160.3 9954.8 7948.15 3060.7 19550.62 27504.31 6890.18 3069.18 19770.22 11026.55 7407.91 7606.56 2167.13 8456.41 11029.3 11399.08 10212.22 10996.34 6550.36 11030.08 9131.53 9772.74 11114.48 Avermectin A1a aglycone 3037.47 1794.57 3249.34 468.03 5689.72 603.44 1760.95 15174.55 6090.97 22373.14 1752.71 46165.89 20799.83 26735.52 15630.71 745.62 421.48 135114.91 70763.49 2246.67 5865.74 12078.15 30887.77 27955.27 38071.34 6899.07 7930.77 14478.22 45537.39 24628.21 1248.28 67981.15 16610.62 26919.58 741.97 33185.25 7709.95 638.34 8994.59 3453.6 2897.32 31311.35 20496.58 9676.43 50328.34 2691.93 22940.75 5123.24 83930.46 31826.76 35565.2 23200.34 5943.69 354.13 51826.73 14036.71 3806.82 3455.34 106194.19 830.93 6705.02 1166.28 18036.33 16278.53 12267.41 20626.6 11902.62 9237.06 7217.18 16234.85 11332.2 6901.1 10480.61 1234.54 5486.6 25144.81 23780.16 25748.8 27575.35 30946.91 25732.74 22865.24 23465.96 20684.45 N-(2-methyl-3-chloro-5-hydroxyphenyl)anthranilic acid 59067.33 59226.44 28313.72 38693.69 47459.31 75225.69 26046.35 68170.52 63653.36 63599.5 37024.44 104150.12 76712.2 60461.09 61746.16 47324.83 37078.74 105484.67 71366.93 104725.53 51291.38 38705.92 49716.58 31108.1 66518.81 81389.52 36411.44 39889.48 107236.84 56118.74 89295.31 92390.93 41287.98 41258.55 25288.25 93571.62 43247.19 60318.55 25860.97 25154.49 146718.5 123410.32 28492.66 28077.95 113682.84 41312.23 96431.82 51602.2 52529.61 115693.49 58949.81 50693.53 33661.74 62149.78 71857.64 61633.75 26855.76 22934.42 56357.14 43629.4 6778.22 23661.91 36721.32 40331.99 31583.35 80617.66 58276.48 32626.86 39690.41 19783.51 30246.24 40107.46 10017.2 45617.76 40037.96 62258.8 61929.02 61867.8 60384.1 60845.3 62184.6 62095.3 56100.22 60618.01 2-Hexyl-1,3-dioxan-5-ol 4612.09 17002.79 4851.99 5567.32 1283.15 4102.01 637.39 1465.96 1260.82 4999.06 8548.35 8226.15 23138.11 19506.1 6961.37 7919.49 4479.48 18948.67 9592.93 17783.87 4090.81 6622.97 13222.98 9149.22 2105.63 8485.7 5731.33 5364.71 20569.06 3937.51 30359.99 22867.62 7569.22 7790.08 9632.42 13413.19 852.03 9556 5286.86 10462.78 11326.53 5618.46 21198.19 11772.9 30847.33 14833.22 8483.24 20713.72 7919.56 32138.23 5041.18 32074.57 10223.22 14912.58 4102.64 14839.07 3835.76 6679.59 5115.82 5360.99 10037.97 7934.42 2856.01 7535.17 8484.62 4688.12 5250.26 3984.49 3751 1878.24 1642.23 5049.94 5274.57 13094.51 10084.2 12143.82 12740.96 10604.86 12971.31 11857.59 12795.42 12809.83 12141.57 12943.2 Clavaldehyde 875940.03 1146947.01 257111.5 277789.07 2015877.31 2023084.55 912319.52 1529993.76 1672106.54 792943.69 1097551.67 724924.09 508676.98 561699.09 2163434.68 1132407.23 733258.83 1296079.29 840768.44 1685098.58 1222337.89 1769212.74 493545.23 754814.73 1623124.73 1504048.86 649235.74 548077.07 884596.89 131351.14 1229799.77 431904 611021.41 218115.92 102568.7 637776.35 838925.84 816729.72 412965.5 346098.6 475294.33 872729.75 422867.14 304310.65 1232196.93 618446.83 919185.74 839653.92 340197.39 526729.76 611090.9 1003988.27 694075.01 811640.11 931553.61 1295533.62 16769.52 10314.43 995515.94 14720.81 359178.08 410086.77 363601.43 422725.55 519095.08 903130.88 996674.33 472980.47 875748.49 1357256.44 686721.1 929691.67 377152.08 405177.61 531947.14 830262.04 819594.14 780780.02 826176.35 825686.54 788668.64 825574.71 825743.64 826935.43 3-O-Caffeoyl-1-O-methylquinic acid 2502.21 615.12 66294.28 53987.56 107240.19 8548.04 106393.35 54126.15 67242.91 92745.86 146324.35 117549.29 66035.82 12356.8 7157.43 76608.66 253202.11 114190.92 72462.14 982.29 36853.9 9304 28143.26 76733.74 75105.39 98380.81 100856.82 75708.64 5639.47 1851.18 6497.21 8902.31 409.18 54861.78 83813.96 22441.83 30533.54 36992.93 314.68 101143.98 1053.11 3007.57 34750.84 37503.73 3996.68 73037.36 9254.74 40426.45 27228.31 3544.55 27218.41 45615.17 167595.55 202868.24 105781.4 44019.5 45540.33 232809.34 28516.7 27249.71 548.25 43630.44 25299.87 280951.7 110223.9 94455.16 4883.04 21174.48 15449.18 8320.32 3046.41 4173.2 100851.05 345697.3 48868.6 102894.15 105396.1 96452.05 98247.08 103190.71 101348.12 103568.23 100245.07 100425.81 3-Methylazelaic acid 278510.86 256534.44 296668.02 230575.41 357373.23 463788.85 262573.1 435934.17 379643.18 253908.68 247645.44 378726.01 511949.13 343083.73 280139.62 403665.34 175682.64 392697.69 470098.02 116412.02 240575.08 157959.55 516832.19 202211.99 303596.5 368520.81 215881.36 293986.61 557712.71 65242.74 489400.28 1007819.25 315415.23 416772.58 220203 507722.43 287596.48 258814.01 256844.82 253046.03 313953.18 629999.07 274218.49 160718.18 487804.92 345042.3 397633.39 319112.95 373175.3 752046.32 430033.09 453283.2 342669.63 439951.49 265957.49 424746.9 133216.1 220922.29 255147.03 91955.72 285301.06 131785.78 233962.43 207763.29 104038.84 425533.4 140442.83 319060.55 256406.99 277255.55 280840.48 166544.15 350288.19 309492.71 503888.47 375766.13 380740.3 376706.23 373667.93 374307.24 369909.67 364316.07 372007.1 366636.56 NCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one 1208.66 4605.13 4760.17 6274.91 3546.61 2248.56 1215.48 2090.37 1468.09 486.82 1042.54 3612.65 3166.66 1607.55 5432.98 2256.91 983.42 4469.35 731.72 4661.13 1341.61 2148.7 649.57 1079.08 1943.22 3344.06 2286.18 1600.24 910.8 529.75 537.83 804.06 2761.69 815.04 4882.5 784.8 1925.95 1064.19 1566.03 2706.86 1131.97 666.89 3343.2 5122.62 1039.09 791.25 1764.27 757.28 1469.11 585.73 1639.34 1417.62 4824.64 5103.97 4020.53 4363.53 8514.61 5648.57 1633.61 894.87 3536.94 2307.78 5869.31 7267.08 5419.81 3187.88 512.36 500.88 2360.46 4266.76 1990.16 1861.05 3104.44 10220.97 6634.74 3317.77 3365.05 3332.17 3277.99 3367.61 3114.38 3709.15 3325.52 3220.91 5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate 11684.88 1997.95 4918.02 624.6 6270.38 1100.07 14372.71 8894.08 28196.77 1307.76 20601.22 45921.82 6346.63 23768.4 9772.48 34583.21 10518.1 25871.53 17498.16 34169.19 6676.13 366.44 4558.96 5339.05 11526.03 5122.61 11066.18 20556.01 3904.54 603.14 13407.72 17662.6 577.78 2643.43 1398.8 7250.04 5554.46 2370.1 757.42 2082.7 1383.65 1450.22 3875.84 7804.25 15530.57 11204.57 8727.21 10215.51 2650.18 18956.01 7701.62 6516.69 4945.64 43584.24 4906.64 3558.33 3392.89 1447.99 2899.76 2412.23 3194.04 2399.33 5391.67 2798.93 3749.76 542.4 6479.26 1423.76 12488.9 2137.06 4599.57 3109.35 10164.23 4439.27 20343.63 7584.18 7528.24 7689.36 7589.53 7669.42 7318.64 6813.82 3570.62 7322.6 6,11-dihydroxy-2,2,5-trimethyl-12-(6,8,11-trihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one 8147.21 2084.36 2105.4 266.03 22440.23 419.58 418.33 12173.68 37951.63 1445.74 1723.09 1463.51 386.06 494.34 18172.08 4821.07 1331.81 19279.83 6768.66 55107.87 30116.72 2453.37 2814.71 421.65 34557.57 10790.92 1670.68 2323.65 47689.52 15528.7 64512.22 12679.3 11025.27 629.78 1830.65 31150.15 20342.11 3531.67 456.74 1243.62 45072.26 48800.75 3205.08 984.46 26805.68 576.84 51818.94 1748.93 6150.25 21951.07 12356.09 324.8 311.16 751.05 7687.04 1951.28 641.69 1901.21 27956.06 2466.13 3002.02 322.12 1198.56 2805.47 2486.05 24014.99 5135.24 1323.78 5426.61 19865.57 42086.68 3103.81 5352.43 922.1 320.07 5475.46 5281.75 6210.8 5183 7081.12 5985.76 4904.56 3503.62 4548.72 2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)but-2-en-1-yl]-1-benzofuran-2-yl}phenyl)-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 88809.74 46032.2 1821.11 1560.88 53735.11 1750.12 2090.11 185977.54 126030.51 42124.56 21095.81 71044.11 14981.4 15589.76 83653.33 60526.56 25026.45 76689.45 40674.06 91971.26 116185.52 1823.53 18441.71 18088.53 163953.15 69829.74 24098.77 83617.35 77033.03 38267.16 144428.48 46472.9 31189.25 1862.93 8096.7 58655.21 81653.84 4622.69 5639.26 22219.41 99537.05 118248.53 2445.17 6106.29 92919.86 7794.35 65109.38 38647.44 84601.17 67963.01 52792.6 10401.57 1499.08 4966.93 45261.31 9412.01 644.38 1065.01 85999.98 726.68 2618.15 1397.71 17506.84 3265.45 28022.05 34675.7 54043.72 31252.08 44487.37 68671.84 139375.35 28251.96 47577.73 8446.99 7154.74 46972.33 48223.7 50661.22 48679.17 45239.63 48547.88 45217.08 38359.96 45764.71 3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine 634.62 909.36 385.7 4180.12 6093.98 9684.54 8507.41 1617.47 1134.38 571.17 1767.02 2755.3 4751.61 1018.76 237.79 1882.26 833.96 261.68 900.61 1144.6 798.28 14253.34 1573.32 1523.81 2301.6 346.41 1098.02 958.13 237.96 1254.89 373.62 7057.94 914.3 919.75 799.56 2760.86 838.9 883.93 242.02 403.95 2119.67 5247.5 348.24 316.87 663.29 18823.09 1006.45 467.84 903.27 947.89 1107.52 283.51 911.75 1326.55 944.06 1907.98 265.54 393.94 371.37 1022.89 1091.81 334.32 1379.61 731.77 1058.23 1063.95 1255.28 421.72 576.82 2808.93 1244.5 1912.49 915.33 1206.79 466.82 1472.87 2544.65 1843.12 1624.74 2152.47 1871.45 2717.54 1963.67 2150.91 Barbamide 5422.45 1945.97 653.06 2206.18 1658.46 304.21 2308.46 590.6 3900.23 12547.96 47521.47 472.69 2992.72 1739.89 1371.29 2778.34 19477.4 3443.15 2370.58 5863.33 1878.26 13509.77 1604.87 1704.3 3782.8 2243.61 2196.35 3811.86 4579.39 4828.02 1600.78 1812.61 1773.97 8645.08 9568.82 4580.31 6107.6 1996.57 555.61 28795.09 2498.84 2313.78 11301.47 632.39 1614.89 2246.13 1750.05 361.9 12186.73 1647.34 2726.62 3148.13 21899.91 11218.65 25618.89 604.82 592.35 24008.42 3492.31 7446.73 6852.92 536.51 1585.96 33054.46 10602.28 4161.6 1504.37 3313.25 3510.6 2221 4291.42 2904.96 13639.84 20924.79 5094.71 5776.26 5997.2 5792.79 5797.83 5200.86 6000.3 5749.4 6006.18 5782.77 alpha-1,5-L-Arabinotetraose 3766.64 6603.48 12048.41 8148.91 2052.54 1291.33 839.37 1730.18 22620.58 4804.63 8007.25 746.52 1483.77 6140.01 8875.75 12464.19 25246.19 6219.13 4328.98 8655.51 3040.38 3185.02 11752.08 5005.05 6403.09 25773.79 10158.91 7223.42 2172.59 7437.5 661.61 3631.86 3693.02 11512.21 6779.52 6795.08 15094.12 11354.33 9260.42 14096.7 4422.11 3167.21 7987.57 4865.2 3611.36 10643.35 4990.25 891.42 4455.12 14349.27 2592.02 20177.56 10186.94 17008.78 2615.5 10613.54 11262.21 2942.75 2981.07 2453.83 7263.01 10017.83 7636.13 23184.5 4519.74 9064.84 8062.45 5216.71 4496.34 10498.4 7143.82 16811.55 7380.19 8221.21 10277.8 7396.11 7585.55 7677 7565.69 7584.42 6973.06 7554.16 7081.56 3492.61 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-3a,4,5,6,8,9-hexahydro-5-hydroxy-4-(hydroxymethyl)-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)- 5482.46 9070.87 375.62 5373.83 9572.5 12686.02 13803.5 7470.88 13410.96 452.4 10314.8 14176.43 3796.74 4107.75 13214.17 14891.72 9641.26 21235.93 7458.28 18911.56 9384.77 8321.61 4964.12 7552.96 1725.51 539.3 2053.18 4293.36 15262.86 517.17 25671.7 9329.31 1130.19 497.12 2556.03 441.63 4537.08 4025.76 2169.45 1741.81 9221.34 1030.61 434.6 1075.23 9670.76 22483.47 17110.14 6238.21 5561.24 7744.55 2096.91 2089.27 3080.26 7324.96 2138.79 2541.84 1343.09 677.61 2249.6 3143.89 1450.94 978.27 2033.34 342.37 768.25 5982.02 23700.48 7843.14 7318.8 606.27 516.76 3122.06 2520.59 3644.67 5087.08 8394.29 9027.01 8451.5 7649.97 8616.62 8383.99 8456.98 8391.79 8599.18 alpha-D-ribose 1-methylphosphonate 5-phosphate 3505.07 6297.11 2440.23 5167.6 6912.36 11416.27 7063.53 5429.16 8133.25 2372.22 6661.6 6646.34 4963.41 4820.53 2085.36 8832.33 3094.68 9821.88 3796.43 11169.3 3473.95 1939.95 5111.69 4442.56 4176.3 3022.94 748.79 1097.3 2433.9 565.08 4672.49 2596.17 1601.5 523.79 1416.75 1102.72 2421.07 2755.89 722.39 518.55 3581.97 3549.87 847.47 1324.08 5303.44 2507.43 6469.02 2155.56 1198.74 3144.53 1499.37 1460.75 1263.81 1477.15 966.51 1477.18 1196.6 585.91 1048.63 1034.76 793.06 739.57 1757.75 2192.79 2184.52 1837.93 4665.78 1701.7 3106.57 2670.62 2750.34 1605.57 1610.39 1187.7 3954.27 2522.75 2310.71 2300.46 2520.01 2336.99 2017.73 2408.61 2344.93 2323.45 1-(beta-d-Glucopyranosyloxy)-3-octanone 3065.99 8335.86 38239.67 27154.24 8440.49 115265.87 18519.25 3166.99 1809.35 4853.63 4431.7 6845.17 4562.81 3636.78 6748.1 13660.36 16778.15 6360.27 23953.55 31315.95 5891.22 18400.1 12175.41 5493.45 2829.47 9036.79 1554.62 1910.13 10973 1931.3 4670.16 14716.31 9926.4 16119.7 12015.28 2663.66 650.13 66554.35 891.72 1490.48 2972.91 942.48 7926.95 1077.66 8393.5 5954.28 7072.99 15336.98 9573.01 25070.18 6621.09 2243.31 2930.65 4553.74 1564.07 20920.98 18413.92 16016.27 4498.63 48150.4 6064.39 7266.64 5637.43 15432.85 13339.86 3498.79 4510.58 3104.42 4402.58 2241.01 13957.55 2695.75 3998.52 76531.41 13828.53 11137.39 11588.51 11798.83 12193.44 11662.31 10155.97 12134.95 12622.01 11615.29 [4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid 29838.71 19041.08 2065.63 1524.7 704.74 13603.01 12632.95 39890.94 37260.44 18579.74 15004.24 12025.48 9454.48 8215.04 30866.69 18465.28 17673.66 31603.71 19282.87 46674.19 25867.04 6045.31 5418.93 8031.22 27761.36 22796.34 12289.32 16636.57 49941.93 18427.43 49010.72 15173.87 25708.53 5347.83 8108.29 24512.13 42185.76 14336.78 10195.35 15012.03 24164.56 25680.65 4317.7 4154.9 25945.44 9425.41 35872.82 13554.23 12560.51 21240.08 14597.12 7401.27 4273.45 1399.89 14215.1 12307.04 2724.94 2890.14 25227.52 2361.62 2385.64 1901.92 13472.33 7986.16 10328.42 13100.26 21502.9 7897.58 12739.2 26737.56 22963.35 10040.84 12355.13 9647.23 8303.61 15293.37 15308.02 15710.79 15272.89 15517.99 15699.33 16523.53 15138.75 15804.28 dTDP-beta-L-evernosamine 366.78 878.49 344.64 116.65 500.42 320.13 960.3 1048.39 1805.07 110.41 461.57 231.9 1252.6 440.86 583.08 1040.75 256.49 471.84 140.82 490 531.17 276.46 523.8 273.8 516.18 505.38 627.19 461.05 522.22 140.71 881.26 324.4 552.72 1319.25 145.35 1344.98 668.85 8144.94 100.42 320.81 1400.58 491.8 186.62 467.6 361.07 576.98 1075.01 310.71 458.59 863.83 467.35 229.55 149.41 203.45 168.33 708.87 333.93 168.86 654.56 8997.56 208.07 409.56 464.19 428 645.36 429 523.26 831.7 490.53 454.25 1290.56 817.73 882.88 939.47 636.73 2700.14 2731.78 2749.94 2699.35 2942.29 2690.84 2900.82 2897.91 2906.27 4,5-dihydroxy-3-(sulfooxy)cyclohex-1-ene-1-carboxylic acid 2372.79 5665.21 4641.44 7410.44 11424.15 15454.5 6545.56 4979.91 13193.33 422.77 4634.18 2687.64 354.12 737.42 3977.42 6257.2 4178.3 8546.96 1352.04 14611.98 11550.81 7537.02 453.85 1436.98 1583.08 4745.99 1032.84 925.72 9734.05 37160.22 5063.54 1697.95 2210.94 426.49 456.8 1036.76 997.58 2428.94 688.6 624.55 1579.59 986.45 607.42 533.96 1251.27 840.27 10146.22 1243.13 877.62 994.56 401.74 781.86 560.76 2328.85 816.88 596.54 4695.99 3269.56 2404.67 1444.24 797.36 443.45 1236.07 1702.08 2101.19 2285.33 15478.44 1956.37 1216.24 1464.95 2761.12 589.22 622.93 505.71 2833.68 2923.57 3556.09 3153.87 2928.33 2938.88 3118.33 2800.65 1972.69 3136.01 1-Stearoylglycerophosphoserine 5954.71 33264.64 22871.76 27128.87 19229.68 47189.04 15890 26790.34 71057.36 21784.47 29123.06 49469.79 47570.09 3244.93 5369.92 3729.87 1438.78 7243.09 4129.48 34770.67 68072.16 26224.22 21992.78 29435.86 5445.22 11021.98 2858.36 25540.4 14950.79 48481.33 3370.01 31671.64 3136.1 19922.62 19510.47 9121.87 12889.55 19277.26 2491.54 16653.77 20663.51 24277.95 12852.71 27731 7561.38 25034.92 21027.54 14304.02 35682.25 28210.89 10375.8 11056.78 40943.93 12207.19 7761.47 2083.68 4288.51 36349.4 7439.64 14147.22 6237.89 55330.03 5847.43 16807.8 48606.68 16552.79 7063.35 37435.22 28412.97 6075.35 13870.24 2677.62 42542.91 61245.63 71558.44 106853.06 283504.43 557612.56 591413.81 631340.38 510830.96 378181.45 455098.04 252363.43 513386.85 70074.9 299849.79 153361.16 101907.61 152791.69 165637.18 204763.87 111046.25 173642.14 1149246.36 99682.21 330369.48 526584.72 240768.2 264484.84 34330.56 35957.74 29234.65 37290.29 37383.14 38359.25 38284.19 37726.43 34692.49 5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-3,7-dimethoxy-4H-chromen-4-one 121239.94 112251.66 183639.03 229689.82 203126.41 241393.89 328742.73 164558.81 176252.06 140032.88 321345.87 415817.62 490534.3 272786.69 133760.48 319936.16 192778.94 294791.32 412587.84 499006.47 191698.02 88587.17 251070.85 335818.32 167517.35 171816.66 169947.03 238944.84 215239.01 148329.71 328594.39 439685.9 81763.44 197543.13 175144.18 146957.12 102884.74 102345.62 122614.19 135314.88 336959.71 225164.65 159409.66 182567.61 288406.19 265929.38 214962.87 199731.45 219731.37 465654.08 115534.99 98580.92 164194.28 265025.84 68967.81 85361.21 164503.85 103525.78 79324.44 43240.45 96480.6 85604.9 77332.19 133110.18 185642.38 111126.95 133025.41 187844.59 248822.32 111195.79 100749.29 127595.18 167241.26 195488.04 201533.75 208053.84 212529.51 208217.08 205066.77 205011.61 196312.74 208250.67 205034.55 205010.87 Propanoyl phosphate 4007.18 4366.8 2969.14 3740.78 16121.2 74412.2 28583.47 4444.31 4363.29 3593.57 4117.7 4168.7 8201.09 4513.3 6439.6 6395.62 2861.59 3939.67 2111.59 2760.16 4651.54 661706.02 5137.37 3233.6 3836.65 5809.07 6693.15 4773.05 2956.16 1217.67 3329.03 2259.04 2408.69 7156.98 3232.4 2480.58 3338.32 26475.66 5013.76 3944.15 2113.36 2091.92 2477.96 5803.1 3453.14 4113.63 2972.19 2058.82 2606.69 2850.67 4299.55 4383.54 3854.51 5619.52 3824.91 3363.37 26071.5 3574.6 2806.75 7820.29 3543.53 4014 4135.79 3182.14 1926.32 4682.81 3339.98 2673.21 2779.44 2927.6 2309.46 37930.6 2808.84 3009.43 4843.98 22880.24 23298.72 22906.42 22784.48 22783.96 22782.72 22842.76 22783.84 22932.42 Eriocarpin 3729.88 1353.21 411.5 490.25 1522.84 3231.39 940.81 1479 1571.19 1644.25 966 1046.39 1624.04 2003.41 3963.16 1195.26 782.39 1238.6 1668.95 1662.67 1025.86 1736.15 430.03 542.65 965.5 1308.14 1009.1 591.25 3468.17 2403.88 2793.19 2401.47 1056.37 1147.55 962.98 976.33 1475.41 1062.57 295.57 467.18 572.43 1132.76 396.92 896.1 1220.73 1168.86 2250.96 1218.32 1322.79 3296.87 1380.17 4137.46 366.25 426.09 1319.45 2468.2 876.79 549.71 1121.28 1072.56 640.63 1282.85 868.66 315.22 430.32 1965.46 1256.76 786.48 1599.98 1378.34 1312.36 2025.55 1205.39 645.87 451 2153.89 2165.65 2641.91 1854.31 1824.39 2196.68 2144.57 1836.7 1868.15 31-Hydroxy rifabutin 9850.37 1726.79 2209.6 5836.78 1453.76 1565.69 2320.98 1842.01 1746.14 1752.36 844.17 33310.65 41567.44 11634.18 1523.41 3170.08 14646.51 6549.58 2853.81 2725.82 1400.21 730.09 3371.94 1446.68 2529.65 895.71 3269.83 807.54 2009.71 737.62 829.87 2940.29 281.59 5709.91 989.73 1657.73 581.13 363.35 1404.89 3207.74 2865.57 2293.89 517.83 12347.88 2677.77 7381.9 2051.41 2464.95 1212.18 816.93 2268.01 1286.75 736.09 618.86 3931.62 13837.43 16955.39 1695.37 567.73 762.75 7923.38 15029.09 1362.64 4579.74 1392.41 7136.64 2175.62 9294.16 13238.95 998.54 3039.83 3347.45 380.25 3904.41 12343.63 4431.43 4032.85 4620.62 4729.41 4617.09 4539.42 4596.67 4454.39 4536.61 (2-Methoxy-4-prop-2-enylphenyl) 4-sulooxybenzoate 9670.2 2557.19 3023.34 23724.54 132684.91 54798.47 17120.22 1361.64 2885.73 2931.41 2463.97 951.46 28654.8 3046.49 1044.66 35171.18 13224.78 18482.15 2849.63 2825.35 21512.93 2768.66 3856.35 3756.68 11871.89 4341.71 3419.37 308.95 62947.17 10267.6 1020.66 3930.87 6512.28 11318.88 11526.35 1668.15 1335.7 428.26 2099.64 9975.96 46458.45 21214.95 1892.22 2337.86 399.4 32559.65 366.35 2709.51 16873.03 44581.12 33091.45 3880.85 892.4 51921.8 4728.76 2123.1 4141.08 3369.93 22796.08 665.07 2779.8 1235.33 9132.74 1559.65 2364.66 22753.88 257.09 12857.96 1282.86 3609.51 1083.44 1872.12 203.62 45939.32 26377.59 9902.08 9429.13 9694.71 9740.53 10036.56 9287.57 9695.38 8157.96 7918.3 3-Oxalomalic acid 6053.62 5947.73 7316.1 10556.88 14207.6 13093.12 19887.49 9620.15 16555.44 2841.05 5278.92 6383.45 4543.27 6571.4 4537.26 9068.81 8978.54 7976.77 5001.2 3675.4 17104.8 2797.1 7359.22 8986.08 2514.59 6287.89 8349.64 4857.32 9569.37 442.24 496.3 2988.11 974.99 3723.57 4696.81 896.69 4391.46 7328.62 4790.77 3998.17 8461.58 4106.69 3114.99 9970.68 2133.2 7194.94 2670.87 4148.61 6381.69 6508.78 5263.36 4349.68 3448.36 6055.51 6324.12 7095.05 40835.72 10505.52 317.22 3638.93 6933.42 5590.73 12727.1 7247.65 411.64 8067.36 12371.52 4825.28 7378.14 4303.1 5381.15 3740.35 8196.95 4603.63 11544.23 10577.84 10580.86 10224.71 10442.93 10218.19 10605.23 10605.67 10252.65 10785.82 4-Carboxymuconolactone 5157.93 18032.85 5636.75 3358.54 8308.12 13389.14 515.26 9132.63 12940.43 5870.37 4916.99 2371.1 12387.88 3571.62 6719.61 6604.57 4951.58 3378.28 8219.29 17290.46 11297.96 16724.03 2769.08 3256.53 3156.8 6078.29 809.52 1117.57 13673.5 2072.13 6420.32 3361.76 2810.66 1796.57 1884.68 2581.92 3606.63 3793.43 1173.69 2293.23 1516.05 1999.09 2282.72 2376.72 7816.77 2059.03 9891.54 7952.6 579.73 6048.27 1215.43 13120.26 3205.72 3425.36 1929.31 19031.6 5319.17 2444.68 4655.2 4782.76 1226.21 1420.66 5853.47 2616.8 5785.52 4189.86 9028.77 3450.96 5060.95 6794.11 5804.06 5647.62 1593.73 2498.1 2705.74 5254.63 5505.02 6251.97 5045.68 5471.24 5010.43 5041.02 5028.91 5212.95 {6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid 1316.61 1206.07 1219.62 420.58 295.95 6771.72 4383.01 943.47 845.94 888.66 642.63 3344.68 3211.7 595.19 1407 1714.8 1247.88 1220.97 728.2 816.91 781.85 2199.26 2573.47 2501.26 767.8 1398.11 2099.21 2367.95 10091.43 8752.73 26960.04 5648.68 7178.37 2060.48 1742.79 9816.7 7542.86 2363.49 2026.81 3874.72 9162.62 12105.93 1499.82 2724.94 7036.17 1424.24 10100.19 4108.61 9754.25 7412.15 5927.58 2233.01 1221.06 989.55 9080.45 7199.22 1652.65 394.21 6408.24 1346.96 1256.93 1062.93 2663.87 820.5 2818.08 5093.52 5685.64 3864.63 5565.68 14336.24 8259.9 6872.52 4557.62 1084.12 1467.55 4724.59 4283.19 4640.63 4956.82 4391.16 4235.3 4400.61 5036.63 4515.95 Hydroxybuprenorphine 956.01 1754.35 10624.27 14281.42 4691.84 13915.7 7388.55 9225.86 5229.87 11028.27 29457.38 42580.87 57581.56 22718.11 4705.8 24624.93 11381.3 5058.57 28735.74 11958.03 10109.63 7200.93 1781.73 32495.77 73838.12 6118.32 22938.3 41481.02 11004.76 17221.83 12703.39 21829.13 3942.29 7905.78 6463.78 8230.07 5731.53 661.02 11595.91 4416.46 14862.66 22986.45 1761.59 17699.37 17095.78 17957.43 11596.74 12830.47 35802.87 56097.21 8560.72 8971.62 39118.86 45918.1 7576.97 6441.36 6824.14 680.62 7770.93 4989.99 12702.59 1137.5 21583.45 3040.41 1593.52 10937.77 12081.03 51384.73 25536.58 9528.76 5562.96 501.34 16499.93 1155.53 4904.4 13098.64 11158.45 13885.14 12329.01 12366.74 13125.36 12360.71 13200.72 12205.69 Gibberellin A34-catabolite 1939.06 42161.88 8478.62 4749.72 7795.59 42841.75 4274.98 868.63 508.97 2334.06 493.54 780.33 1276.53 1291.65 14299.65 1365.29 4305.97 1453.88 6804.05 531.63 2303.61 43536.03 9296.72 4490.11 1164.64 15313.75 4280.61 3564.74 4446.31 2081.26 2790.05 401.51 12682.72 1601.3 1941.01 1679.51 1034.16 31605.31 422.03 1587.19 371.25 1119.96 3650.07 375.67 1758.73 1692.58 3715.18 405.5 647.92 3202.47 2833.84 8720.71 529.92 570.52 515.5 26158.09 3203.63 1261.55 3384.02 19101.24 468.44 1769.1 9221.64 5646.75 4605.94 1229.44 16187.95 2879.83 2637.03 1822.35 11442.46 10046.22 659.38 4602.4 7638.36 5975.9 4281.27 5628.16 5617.05 5676.13 5457.67 6735.93 5577.14 6051.47 (S)-Atpa 2423.56 671.12 1603.2 5875.45 5080.64 6859.45 8159.69 3174.4 1467.04 4239.28 7434.69 7993.27 3024.26 5228.75 381.35 11767.67 3189.46 5070.74 11395.03 6271.66 1922.55 2048.85 4303.45 5976.95 2714.61 2239.25 4593.82 7264.67 3872.09 1773.14 3880.43 11835.64 788.86 491.66 1640.37 1859.78 1685.62 945.59 1484.62 2250.65 2759.44 4695.21 6178.7 3137.85 5492 7805.19 3123.49 6300.76 3170.85 15954.06 1337.23 863.41 4359.05 6714.18 2969.25 1307.06 2533.95 1021 3150.24 1480.4 1645.6 530.54 1588.01 2900.15 6282 2241.47 2952.4 3546.4 5815.62 2399.37 1093.13 4068.33 3703.01 7351.65 6816.88 4728.77 4720.11 4747.5 4503.15 4397.58 4723.36 4535.67 5069.04 4249.69 Desbutyllumefantrine 548.67 21860.66 860.79 16884.35 724.8 1607.85 16007.41 618.53 635.77 13731.12 895.19 10326.54 17499.28 5166.69 2021.58 8010.95 9329.7 1232.47 6161.13 522.95 1731.86 29466.77 4248.48 1439.84 5238.8 2239.7 3362.85 576.68 1080.76 1528.79 1697.42 862.51 53396.13 2366.66 1840.41 566.81 2583.82 24034.39 4660.8 3175.7 1632.5 2544.67 3639.2 654.47 3194.26 14292.83 572.77 602 594.09 6815.41 1932.77 14371.48 742.15 740 4001.35 15243.08 2585.67 2052.57 2956.03 20590.48 2817.42 2146.65 1564.71 2982.39 2791.53 4253.62 2194.37 7375.13 5132.49 6906.88 61214.27 2546.72 5281.61 5873.6 8780.79 3102.62 2804.9 2858.82 3637.69 3186.55 2670.65 2895.19 3163.03 2708.39 4-Oxohex-2-enedioate 16187.92 14761.18 1285.5 1247.53 18726.71 22169.9 28177.54 26192.92 22494.4 7422.39 5776.5 4142.03 1444.01 2304.57 9143.25 3143.96 912.8 9690.73 1784.79 10519.12 18031.78 15679.28 4296.95 1522.25 15758.3 14274.06 2773.08 2046.8 7254.07 1476.05 5663.93 2727.44 2200.08 1486.09 873.26 7697.36 13312.2 4413.18 2314.76 1038.24 3131.12 8399.66 1901.01 1057.2 8477.9 2402.77 8467.36 3267.88 904.56 6695.35 8359.02 5822.81 3383.05 3397.58 7257.55 5418.73 724.31 1549.59 12296.8 3882.19 3079.58 3399.93 6505.09 469.16 4395.85 7567.94 11465.52 1221.42 956.61 8279.41 7180.2 8460.52 1251.48 1200.93 3818.76 4624.23 4804.76 6376.39 5014.07 4711.65 4522.53 5022.02 3795.32 5097.17 Rifamycin W 52367.92 63036.02 97426.27 21657.73 15693.13 98913.23 801.13 88306.7 88051.81 126967.15 163199 190099.28 84975.43 109314.48 80245.32 170098.22 54336.71 92738.27 255178.86 117992.3 102827.38 94914.9 179322.66 151729.1 96518.97 87340.92 85083.55 186379.49 123705.51 101830.3 103819.04 264479.45 67994.17 134835.48 99405.56 61646.26 97553.48 63546.23 129033.71 76651.09 84045.09 116727.39 173604.75 103908.43 114392.05 62736.8 94395.25 157274.12 128358.63 206071.51 62283.83 90131.73 129295.08 92427.08 40248.9 70367.93 57811.91 66465.44 75627.74 4267.7 81235 95896.01 55061.46 140070.54 122113.18 57391.93 120247.57 112001.25 102166 67781.3 60344.67 178904.64 140140.03 136171.77 83326.93 120977.02 119355.99 120980.09 118101.95 118561.01 120980.76 118089.43 120350.1 118105.37 (2R)-trihomocitric acid 4908.45 767.56 12992.04 9588.57 16318.86 2490.29 1506 18738.03 35346.67 1520.27 709.11 2703.68 445.44 152.44 22479.89 2257.58 1940.43 41589.87 1540.86 311724.69 4278.23 1319.92 209.93 713.2 15612.46 32350.28 1275.5 4218.44 4109.92 6410.44 4460.14 1273.09 161.08 8595.74 9380.61 3819.26 19727.21 1684.95 548.67 1177.23 23870.18 1697.14 5526.72 6449.97 717.36 1537.38 1139.18 5368.6 4695.37 763.7 4975.59 118.31 7632.97 68.92 940.09 499.5 16331.2 14721.53 6403.99 10608.09 108.89 5249.78 108.15 83.32 622.05 1570.31 1446.34 427.7 876.95 15689.31 79453.1 1503.22 1444.74 692.41 1005.5 29606.5 30239.2 28967.43 29630.19 29085.2 29223.25 29628.42 29533.73 29234.14 L-Galactonic acid 4212.51 3695.58 2701.8 3561.57 2483.88 2356.67 2269.3 1750.52 3797.19 3856.45 4435.53 2678.53 1097.59 1591.71 3142.14 2023.74 3128.65 1727.36 1503.41 5399.09 1435.85 1675.36 1829.29 1133.07 2950.07 1979.61 948.16 768.5 487.56 1692.16 920.38 661.62 2308.7 1632.62 1961.78 774.83 1591.6 2140.35 2112.09 2413.23 2550.29 2097.41 1865.37 3331.61 2288.65 2604.85 1537.84 2054.49 3998.85 2512.17 4995.39 2982.03 1915.09 3088.13 3450.37 4026.85 8644.57 4457.49 4856.44 6035.89 4210.8 3731.75 5078.77 5255.66 6726.41 3974.79 5819.18 3241.23 3475.07 3117.84 7611.34 5204.48 8445.68 5674.77 5859.42 2327.96 3960.67 2362.21 2195.03 2319.02 1941.53 2260.94 1546.36 2089.67 2269.82 2009.95 2136.56 1838.79 1999.35 2882.32 2126.29 2147.27 1975.84 2467.92 917.83 2098.86 1980.32 2268.79 1412.6 1352.2 5547.21 5592.73 5777.28 5594.02 5507.15 5543.17 5506.57 5280.58 5553.8 Bis(glutathionyl)spermine disulfide 2579.78 320.61 6240.42 19305.08 2086.25 1491.56 10209.3 520.41 370.24 488.78 2077.75 2419.29 33749.23 408.81 502.68 9408.17 4725.82 1197.87 6286.56 385.32 746.72 475.17 593.11 719.01 769.64 631.55 392.26 2071.91 424.31 3734.77 3318.75 1053.22 486.29 8172.85 971.6 517.28 3890.5 2945.2 1588.69 1638.7 1051.74 5826.82 4246.54 6975.43 2531.38 18482.38 476.88 4179.37 2663.77 930.17 737.26 744.5 931.21 41661.47 10547.3 4756.41 12056.21 4469.99 5501.21 15633.21 6057 2063.79 3972.55 12924.63 347.4 10011.31 1011.57 498.78 5023.57 335.18 813.66 1369.33 3103.26 11848.87 9163.66 3918.04 3785.11 4653.53 4188.11 4093.83 3620.67 4181.1 3544.04 4095.43 (1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol 8667.81 22546.79 88280.86 42770.5 25557.27 96546.68 77479.46 20954.02 40454.87 149159.08 86975.39 27117.17 13621.45 13903.47 31376.45 8458.18 6274.43 15161.64 56204.08 24616.2 27083.86 113487.78 168037.6 97858.39 24558.66 52514.08 117786.29 55679 22356.28 2644.21 15076.88 11093.7 14455.41 69858.76 68192.56 10920.38 11345.32 61523.87 68949.44 54821.46 3860.55 8198.57 9198.44 5566.4 7070.21 10671.71 17587.84 36506.19 10022.78 15209.95 9432.65 5370.2 14191.58 25446.79 1637.05 6805.67 94852.02 38913.79 6940.25 23294.76 72446.14 57812.49 14463.17 6324.87 55568.65 8392.12 18842.86 7389.29 16130.41 20044.98 22099.87 102943.68 104265.66 45140.03 3191.72 35239.45 35314.85 34729.93 32782.34 33787.92 34102.39 34345.42 35328.55 37676.73 {4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid 29170.44 1258.2 2701.39 2103.84 19820.75 2309.49 4468.94 19766.99 24848.83 11480.58 5159.27 4710.82 995.48 3535.22 12383.69 10598.08 4236.54 16111.72 8471.25 27071.41 16667.82 7663.95 3883.1 499.96 17492.92 9349.62 3763.61 9594.48 23459.08 11481.96 24324.44 8006.95 15296.69 4215.21 718.47 16305.17 28025.4 1612.07 2551.91 4923.89 14056.82 12147.66 2209.21 1301.36 13230.04 7540.82 19496.66 727.85 6674.87 9990.24 5254.45 1347.8 2470.54 706.79 8546.7 1500.69 1452.28 2092.05 20690.07 745.18 1444.86 1487.86 2230.37 1561.83 6838.38 6162.52 8643.86 6177.72 9122.03 25955.07 20643.08 2696.23 12339.54 685.97 599.93 7172.03 6473.81 6381.09 4957.82 6360.47 5821.04 4921.66 5499.36 6605.75 Morellinol 1876.19 1427.45 3695.75 9931.05 24172.54 2068.61 6436.96 5457.03 4278.6 5758.18 14971.68 8829.34 9869.3 1056.69 1057.34 10498.53 10874.23 3618.33 6656.43 6738.57 4041.24 635.91 2332.84 7626.48 2896.05 10447.16 17599.26 14174.46 2492.19 2116.86 2145.55 3292.4 1553.74 5888 10435.54 1490.1 2582.58 1128.29 1068.72 1540.2 1794.85 1553.7 4199.95 526.53 846.88 12194.24 3301.08 2977.51 863.6 2041.46 3419.8 2402.48 18248.63 18701.51 11149.44 1127.45 2520.4 12319.63 3778.66 1191.76 922.58 348.13 2057.85 34406.58 11343.5 7685.42 1316.29 2392.27 931.73 1756.59 1843.34 1105.88 4799.15 25423.13 3491.26 6719.56 6127.69 5357.52 5496.59 5516.21 5522.33 6273.67 4634.26 5037.79 dTDP-N-hydroxy-beta-L-evernosamine 130.85 177.21 1583.14 661.58 340.64 860.99 291.84 245.91 151.39 283.07 213.09 416.48 834.55 348.23 241.65 495.16 432.2 255.82 255.63 194.4 289.58 4502.46 434.94 335.42 121.36 233.31 517.64 331.51 174.83 174.22 197.47 100.18 286.77 967.55 158.65 347.09 270.91 4876.01 97.9 159.94 276.85 124.29 350.85 348.15 137.79 483.68 241.96 727.91 221.9 211.44 175.49 233.35 320.48 297.09 235.87 558.14 913.75 388.98 299.94 2394.81 165.98 227.06 210.06 335.93 477.31 215.76 372.03 169.63 184.83 214.32 123.21 225.86 410.69 465.92 597.89 1774.03 1479.83 1326.12 1457.69 1469.01 1227.84 1302.28 1546.15 1163.41 Rifamycin W-hemiacetal 2484.58 1578.79 1696.7 18748.44 9156.09 14179.31 44278.75 5931.22 8795.78 4550.56 19311.96 11013.24 32121.87 11640.03 1991.43 29170.92 28258.08 1399.26 9956.34 4057.62 6218.91 6025.74 14665.18 9957.17 2425.32 1469.13 22027.54 15636.36 9845.95 6894.08 3649.87 11575.12 337.9 31588.66 21994.55 1703.89 9979.13 4956.28 2921.72 10644.77 1569.76 2718.6 7794.73 3836.14 2524.5 22547.58 1849.72 3038.92 13468.17 11587.41 2276.09 1502.21 3613.33 39189.91 6241.01 658.6 10856.09 2094.17 1676.92 1152.93 4314.05 10953.64 2585.22 4721.89 502.35 6195.22 1921.48 20797.51 14644.72 1814.58 11239.65 10298.45 4221.65 13112.53 68567.53 9632.85 9600.2 9735.16 11047.21 8147.18 9653.01 9702.74 8811.21 7742.67 Streptomycin 6-phosphate 293267.22 28235.48 952.31 17639.81 75160.98 8458.53 2321.81 230398.7 607374.67 113348.47 56179.13 81174.85 5806.45 14880.33 71046.61 93509.74 10954.39 222362.23 89963.38 372079.64 336496.68 4931.6 5845 31563.24 420723.56 144948.71 22486.19 102089.41 164213.36 84590.05 549988.16 33951.01 42634.44 1975.88 3451.65 146553.06 95614.5 1567.6 9162.74 9928.22 379167.64 202448.33 4561.99 4854.87 77784.36 16670.26 205192.92 26679.52 72202.6 80007.86 62518.05 14212.05 8352.53 12862 73749.17 15272.74 1402.83 675.79 191413.73 3984.61 1848.92 2053.13 16500.41 9515.53 44565.68 144415.53 132238.5 41047.73 89296.54 189457.46 310401.34 43103.98 98582.88 7069.5 11543.62 107592.84 108182.56 125725.62 109222.71 99411.37 117650.88 107413.9 112530.11 107449.03 Queuosineueuosine 1219.98 14693.82 997.94 45896.47 46260.79 19453.82 90367.95 8371.73 10016.38 3360.16 10950.18 19510.43 47524.64 7897.88 7719.83 18506.35 10070.13 6934.9 2643.61 3082.72 7837.61 486.91 9317.25 11937.88 5827.23 4678.53 11141.8 14558.42 1685.76 1339.09 12389.35 10631.08 4056.83 14734.26 8161.47 594.92 2406.67 3550.89 5081.74 7850.68 1760.26 12914.63 5857.9 1899.73 5498.23 58077.67 5844.13 5209.72 3052.74 13870.99 8893.69 2589.83 6522.72 51949.97 16845.62 8722.37 3562.51 336.16 1428.43 16192.24 5698.94 7030.35 1976.7 17569.31 2645.2 23216.44 9742.32 3844.46 6094.26 491.49 5760.42 4766.04 2337.82 15667.75 21927.92 15780.69 15739.9 15245.26 15783.37 15043.2 15583.24 15782.08 15792.26 15792.87 2-hydroxy-2H-pyran-4,6-dicarboxylic acid 4786.26 11217.88 3625.77 1785.29 1325.24 17090.96 22901.03 4740.29 8278.78 18726.65 5772.96 7148.9 2031.88 2183.01 14038.81 6135.77 2869.63 5145.56 13703.73 21618.87 21119.34 62402.08 25352.5 7298.01 7704.5 13321.91 9021.01 2772.41 2847.93 4666.04 7970.58 3071.51 7159.1 11399.17 2748.32 3990.86 5394.94 13841.42 11462.62 3261.45 864.18 4107.58 5150.48 5095.45 3664.16 2366.88 9170.9 10235.46 1847.18 2589.24 1675.65 3396.64 3709.01 1304.78 1713.89 6651.4 8876.71 4095.86 3878.28 4042.84 1654.21 2763.03 5399.78 2662.01 6669.04 4114.14 14205.38 2750.45 5349.79 6126.92 10888.66 15985.84 5659.56 4015.46 2132.44 6668.61 6551.51 7239.67 6778.95 6637.44 5998.76 5575.54 7051.77 7079.34 6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 4875.85 5132.73 1103.79 52149.77 14081 1581.56 9998.3 1254.04 1817.71 2179.77 11307.54 7941.42 824.34 2159.94 7193.47 3728.55 6886.22 3164.06 6128 14906.52 1909.99 811.4 1622.33 1262.37 1157.91 4562.41 1030.53 5364.94 1550.77 5458.52 3132.25 2676.76 5045.12 78385.05 15169.22 6383.81 21371.73 18330.65 60083.52 18358.43 736.11 8298.73 2673.24 4225.18 2441.92 17670.08 5511.62 5010.74 7084.74 1048.87 6305.87 1645.43 50892.04 38761.73 1194.63 823.24 1389.56 1018.2 22950.38 38856.12 8392.05 26851.45 9837.53 30298.08 79099.65 8749.36 1231.53 4477.8 12367.93 9868.26 7693.01 1705.15 4995.25 97496.12 39270.67 4177.16 3381.73 3454.25 3735 3315.75 2849.03 3594.6 4155.32 2803.65 (Z)-(4-hydroxyphenyl)acetaldehyde oxime 6259.89 6726.35 7457.29 5474.25 10592.2 10884.6 15954.96 8450.66 10427.94 5810.09 8387.73 9249.03 11313.83 5863.54 7248.77 8795.41 4885.51 10753.29 8127.94 14346.44 10340.51 8592.2 6658.94 6209.17 6456.34 6068.28 4047.53 5640.56 8139.86 457.8 5116.6 5743.77 1286.03 4759.33 4487.29 5050.79 1930.94 2679.77 1849.32 943.68 8486.56 6630.45 3520.97 3854.72 7124.32 8529.04 4288.02 5506.88 6104.28 7193.94 3905.12 5284.89 1461.36 7347.6 4869.11 5153.64 8217.45 3351.5 2493.04 1351.64 2715.31 3365.37 2293.19 1368.28 2202.91 7388.07 9095.51 6453.14 5050.21 2941.58 4252.06 1845.28 1566.85 5214.39 6991.23 7520.86 7647.18 7663.93 7269.09 7645.12 7406.79 7644.88 7385.42 7633.49 Acetyl citrate 1341.15 11533 9180.08 13418.79 6061.42 13144.19 4451.37 5654.32 8977.61 3278.79 806.18 3513.12 6676.22 558.49 10081.96 5352.43 8145.06 10572.39 833.77 30402.98 6462.36 6723.72 353.01 650.31 405.02 2462.8 2017.51 1869.32 10958.61 1970.29 17714.46 2162.95 829.27 2523.8 425.14 421.81 400.8 1279.7 1885.07 345.13 1974.69 5948.75 520.14 745.22 3576.71 6542.62 9116.28 2121.98 460.99 2684.39 640.18 2159.09 422.5 690.53 1037.7 8281.99 12103.99 8544.52 1309.8 2298.91 2024.44 1921.36 4710.65 2455.19 5831.47 3203.74 35867.65 2445.11 2314.68 1074.09 1307.72 421.2 663.45 2714.11 3015.08 4565.1 4469.44 3961.83 4292.22 4300.67 4455.13 4454.89 4426.4 4195.36 Hydroxy-beta-cyclocitral 4321.17 6638 3143.35 2048.84 4031.68 1001.18 2486.28 4958.77 5179.3 1693.52 1719.15 3791.93 6738.98 3075.26 7159.82 4919.87 5010.97 5111.53 3749.45 8914.24 5498.06 1010.84 1411.23 1336.85 4083.1 5308.26 1543.06 1223.81 6654.47 2966.6 6843.56 3504.74 5067.47 2347.3 1334.29 3092.93 3450.96 970.9 1057.88 2139.11 3454.97 3751.17 3072.82 1147.58 1121.21 1977.55 7415.35 4739 1377.68 2315.58 3274.23 1459.03 982.95 2771.04 2820.41 3801.38 2298.81 1771.77 4024.88 1246.41 1545.97 2782.45 2783.25 2608.64 4566.68 3256.08 3045.84 2101.96 3341.73 3360.08 5296.52 1257.74 1330.02 6336.51 2283.41 1766.82 1711.19 1709.76 1773.08 1372.35 1759.46 1772.19 1766.78 1715.61 (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate 14214.83 10222.56 1901.18 2899.04 20576.25 12504.22 10355.07 26887.91 32287.6 10567.43 1005.9 5345.75 1545.85 1256.05 11387.08 1891.37 835.57 2857.34 3881.76 13933.49 19969.78 7322.7 6327.53 1565.79 24819.5 18809.01 3454.6 2309.59 5211.67 5918.48 7416.45 2371.24 5948.18 3472.67 3634.78 3459.19 10194.61 6746.68 1389.27 5081.22 2119.38 11073.25 4788.71 3705.75 4959.46 897.72 3123.31 1035.33 622.88 1579.61 5167.41 3941.67 4904.97 1631.96 4051.12 2614.68 553.2 5039.37 10870.16 542.14 915.68 1935.93 2314.24 3367.09 5528.67 9050.24 8952.56 925.81 853.53 13318.7 5829.41 8104.25 4002.67 4135.66 575.29 4754.73 4753.31 4744.24 4581.94 3816.93 4594.33 4770.25 4580.94 4736.21 Lolicine B 1147.25 5095.53 17957.24 9126.71 4330.16 975.23 8989.42 3304.82 2827.37 5892.37 9383.74 5411.52 8366.88 5288.65 4207.43 13577.36 8267.2 780.18 15355.6 631.44 3122.63 1355.49 15891.13 11971.21 1090.18 3058.75 14402.07 7430.17 2033.27 625.33 1853.57 2938.46 3117.79 8890.32 5132.36 782.64 3048.83 4755.53 8108.46 4181.54 2687.95 1669.13 11311.59 4771.83 2877.39 7628.13 2182.41 4691.62 4769.71 1953.39 1260.65 3960.47 10887.72 12358.37 3554.42 3755.87 8793.21 3010.76 623.4 1905.03 4826.19 7592.82 4454.98 11956.65 2217.2 1945.84 542.43 12503.77 5026.46 1125.26 2050.63 5283.83 6720.77 6606.27 11591.74 5885.68 5643.11 5890.39 5884.59 5868.59 5786.71 5884.96 5846.74 5822.09 4-Chlorophenol 4974.99 4142.72 9982.69 17464.16 10571.24 13312.41 18011.31 1761.72 1044.71 5198.26 6492.19 7509.05 21250.51 9290.97 4028.27 7194.65 10760.39 4720.49 10892.61 3609.77 4112.1 12394.69 9614.97 8018.6 4994.79 4687.15 7462.13 5972.16 5458.19 8209.97 748 18756.03 1037.36 9453.46 9880.02 2121.75 2156.07 4837.12 8792.52 7111.32 9761.51 8265.14 8377.8 9227.81 5010.62 13492.48 3982.53 5240.59 3682.63 8989.09 2732.74 470.07 10263.3 15148.01 12563.5 4858.48 16368.46 14756.09 4520.9 9230.53 4769.61 7778.99 493.58 11442.64 4509.57 6495.76 896.51 5432.7 5554.11 746.49 1002.16 9935.97 6398.78 13450.12 12055.97 8488.27 8966.67 8546.2 8540.52 8692.69 8692.26 8279.7 8569.96 8639.83 FD And C Green No. 1 207.59 299.9 923.65 218.74 921.8 909.51 2858.15 79.72 349.82 136.73 254.73 170.81 748.01 97.56 747.04 1701.91 233.94 124.26 423.85 354.97 548.93 15707.62 565.56 84.07 226.4 235.69 212.99 659.38 210.01 393.95 328.19 905.16 399.61 837.01 117.44 487.82 119.81 408.46 476.82 254.74 137.99 902.79 85.12 92 314.7 315.38 213.24 246.75 603.74 1187.76 181.01 465.33 317.22 810 231.01 184.61 2024.02 973.15 304.25 607.07 107.95 145.44 338.03 490.83 355.42 314.87 84.08 920.12 87.5 163.41 310.48 535.03 126.41 1261.77 237.74 4325.74 3659.67 4288.59 1582.62 3445.29 4551.35 5515.72 3732.77 4468.88 4523.41 4104.28 4889.46 4470.33 3050.12 4979.32 2503.33 4363.01 4366.59 2957.15 4358.08 5567.9 4343.23 4114.35 4734.71 4272.72 2153.9 2450.7 2449.16 2450.78 2458.1 2280.26 2392.51 2384.65 2457.37 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one 242040.23 227291.39 283299.62 217006.36 150513.46 15795.76 146462.07 268027.5 267657.65 283019.06 240810.67 274769.65 349357.73 156202.55 221350 257208.88 169972.29 142259.19 258585.58 244560.59 321966.51 302031.91 290812.64 312331.03 254739.38 146713.19 209226.47 284218.86 373246.47 222153.26 103190.82 170494.64 245991.74 263778.25 215755.65 332941.14 341098.49 389881.59 263037.49 228622.8 195633.01 191990.95 184275.08 277800.03 166574.05 302662.89 367312.43 341069.53 157954.34 197103.14 129380 343009.89 183647.68 235200.53 204846.06 325620.39 215003.8 185239.63 235228.71 208727.02 246391.68 208695.52 293558.82 301956.03 157407.81 249856.97 234274.96 210020.43 209857.62 237930.98 344281.3 313391.66 243441.63 211595.89 169393.83 62137.63 158093.07 43560.17 64369.56 67001.86 67686.59 62657.39 64948.7 69410.43 43044.83 58790.37 64972.89 63418.82 64180.95 63243.55 51985.5 64456.25 65099.68 64791.19 65246.01 64779.08 62945.16 64760.68 61684.19 66507.45 284361.6 288214.38 288269.17 280179.8 281149.3 288713.33 287199.39 280284 289994.47 [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate 71497.03 115618.61 34449.18 6377.42 72268.58 12013.23 37253.5 117596.49 13871.71 12708.86 95799.09 132742.66 54961.04 41105.22 93093.13 87733.3 27962.47 38377.61 103147.73 103044.24 91355.93 26805.28 92350.17 92158.65 105918.29 82646.12 106088.97 128445.1 120283.48 41439.14 19632.95 86138.4 19780.48 94927.72 48867.1 73215.35 32701.16 58858.09 36716.6 93017.91 49011.58 93760.91 59202.98 65317.74 90630.27 39028.83 105223.9 100726.42 72708.79 140518.75 51001.93 31771.82 79153.89 108466.11 61684.16 23017.52 39034.2 56344.5 56438.41 44118.72 24556 29436.65 10039.18 63375.5 42469.52 49783.44 99103.26 111515.97 61466.46 11726.67 80204.15 51605.65 60831.06 63131.68 51250.78 59285.57 65848.09 63517.66 63607.11 60365.13 63861.06 63564.89 59436.12 60737.36 6-Methoxy-3-methyl-2-all-trans-heptaprenylhydroquinone 4507.89 1262.91 1121.2 11782.3 36468.35 21892.05 40693.05 3106.96 3236.41 2930.01 3407.65 4114.55 1246.15 1072.95 3390.93 29739.74 4118.86 385.87 7963.85 3661.01 3751.07 4934.98 3123.05 2159.12 2114.97 2713.57 429.38 1220.87 2624.39 1681.39 4741.42 3640.96 8457.21 2445.68 2099.73 6703.59 1985.18 28549.29 4193.32 9028.81 9598.8 1963.51 804.02 912.83 6141.8 2355.53 7693.45 1789.51 1636.5 10886.85 3143.51 5142.6 977.5 3382.04 773.46 9014.38 10817.13 2969.63 1090.35 12610.43 6090 3847.32 2038.78 11232.7 2290.34 3344.67 3488.39 1130.24 2642.88 2000.36 664.44 1897.22 3791.39 10093.24 832.52 2536.62 5770.95 5887.51 7985.76 5279.66 6053.8 6152.14 6122.11 5564.03 PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 5785.45 12479.12 4330.72 7550.83 6803.84 16737.82 10179.65 5864.79 10163.44 9427.14 16888.39 3103.34 1016.38 11948.07 91102.76 9698.1 138230.17 18781.98 11851.59 21061.48 23266.69 675.46 12182.05 2872.05 27764.11 6443.82 9701.5 11284.2 6307.93 17295.94 45081.04 35587.14 20719 9810.98 3835.59 7920.43 35923.31 11602.3 4795.62 2413.04 9732.04 71371.03 11967.6 574.45 10977.4 4613.17 21392.18 56601.16 38216.36 8656.64 11998.82 76297.3 15880.24 14515.76 31856.55 12891.59 88398.53 31179.87 32541.47 6328.24 7900.13 5742.18 4313.92 14013.6 10664.28 25479.16 4616.92 14200.71 1116.41 68347.69 4457.29 16591.93 695.04 7215.91 7629.9 7518.61 12755.82 13447.12 14964.71 13552.65 14780.67 15603.93 15481.76 14792.97 PA(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) 60915.45 32765.21 5681.05 12511.85 107878.19 16186.33 3160.55 24065.16 20668.05 3350.14 6053.56 72670.18 3686.61 8831.49 17993.12 11927.58 9420.51 11376.08 8244.27 36661.12 79139.94 22611 4773.14 3730.25 20366.32 12515.58 1078.68 715.76 10100.47 17769.96 43598.82 26449.81 7375.09 887.5 5026.54 31317.54 24478.63 43054.43 5544.68 5064.44 28057.21 40981.98 677.25 7688.56 43721.01 4408.54 33034.95 14718.99 8463.7 7077.89 51847.3 23235.93 1601.38 8697.86 54372.91 13657.91 3074.63 5936.14 6330.78 9187.59 5840.78 12583.86 50033 1186.49 656.08 85883.5 22274.19 4848.05 2819.74 55790.57 3803.07 3222.55 2927.37 5449.71 5971.6 23615 23981.74 27158.92 24326.94 23108.35 24475.93 23817.16 18745.57 24343.08 3-Isobutanoyl-3',4-di(isovaleryl)sucrose 1537.19 592.8 22588.88 21490.59 24838.67 33048.03 32812.95 13913.64 29422.07 24321.98 7926.39 7977.4 84953.45 4814.56 12488.95 44368.74 8013.35 9213.74 3538.94 1331.64 11832.98 24297.1 25967.99 16156.66 58136.5 9883.55 24117.53 32164.73 19526.84 20897.93 7520.2 3380.95 24746.28 131446.74 32372.73 13908.13 18031.98 9592.27 13362.58 7904.8 1868.47 8033.84 18484.71 16009.22 8996.77 136650.86 43707.85 12948.97 23874.06 19798.03 21925.65 2144.54 15380.56 16955.76 6002.57 6211.47 10788.06 15482.18 24043.97 104488.04 16730.68 17947.06 17153 26431.18 9258.8 4434.52 5981.55 12882.54 10602.82 7891.56 12823.67 21532.4 6839.24 11286.22 16266.45 18704.2 19288.07 19880.4 19918.7 19772.79 17937.4 18672.18 19767.35 20018.17 N-(Adamant-1-yl)-6-isopropyl-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide 50907.56 17139.81 11033.08 17226.91 95721.23 31249.53 9913.78 151635.18 40353.87 2144.29 24889.16 72505.4 25312.66 7508.88 35115.49 44540.89 35879.37 35835.9 66311.32 50877.13 79920.28 17612.81 61961.3 33067.05 171283.37 103182.23 38748.74 30719.28 266401.95 21853.09 30917.64 78354.15 126341.53 2454.81 12135.05 217322.38 43230.44 5698.79 15948.76 14609.54 48170.44 32586.14 37470.99 5729.52 31731.59 23829.2 69028.48 68722.78 24435.97 67272.45 48049.8 12768.04 14713.41 38012.58 71525.2 28102.97 15172.84 7750.7 49881.74 8945.1 3134.69 16005.98 150888.65 40403.33 47501.13 20596.43 29142.86 5076.54 32579.86 174793.41 34784.17 2544.85 47689.63 28432.44 2574.36 49823.67 52036.15 51831.88 53825.25 53672.81 46508.75 54509.69 55579.85 52114.4 Phenylalanylglycylarginine 379569.41 407914.43 489223.29 295256.16 582884.02 1071937.59 51404.78 414421.46 439660.37 234016.31 356554.6 540633.96 592670.28 544094.19 351606.78 396893.9 218510.64 318687.42 1058673.36 658508.18 327166.38 418587.86 315561.69 323783.33 261938.77 734375.97 203292.69 206935.05 858544.43 324995.15 722318.31 1587038.23 206115.75 479212.08 373958.84 419130.17 164808.65 436081.99 172765.24 158259.5 373079.12 555546.67 233168.58 250223.26 669693.33 793808.3 397397.95 369059.25 490141.51 686347.08 366942.5 342005.21 285046.48 435111.1 253712.61 390281.77 186909.36 141471.31 196324.9 135101.28 158671.75 128413.93 269942.22 273292.43 218124.43 309264.34 546594.97 237971.05 332667.13 295445.41 198129.39 162455.52 251178.74 560753.82 376580.44 474466.06 512907.76 530509.26 473954.09 529994.16 537558.13 432128.7 515112.44 554203.52 {[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid 109891.25 45202.24 88471.45 7220.07 49758.21 70424.56 20381.61 47537.42 78895.46 46214.93 78715.28 185505.9 77427.72 118803.21 41416.56 71544.06 29438.6 21901.46 119225.65 65126.23 128684.67 44340.99 171240.65 169404.55 37767.37 80412.88 41098.02 94313.18 55081.55 45286.6 76590.18 98436.2 41641.94 105063.87 96192.37 28233.49 47075.74 69912.46 37856.9 43472.1 42600.63 91314.76 100416.04 61910.32 103844.16 119455.97 65165.91 137713.28 68287.63 57840.71 65023.66 40558.46 77282.19 96546.49 47300.54 29694.11 3024.57 13761.86 28708.61 16521.84 37924.11 1807.91 37623.28 83939.84 76705.2 41882.83 21980.28 73697.79 69005.96 65617.42 50920.16 62660.29 88393.5 49020.91 40024.95 70055.8 70285.7 69952.95 61332.64 68737.81 70200.08 66493.33 61244.14 70271.2 Leu-Arg-Leu 23776.7 41753.14 639735.07 32696.23 12106.22 53799.95 47026.09 6559.78 65772.88 43120.39 59908.06 35632.78 35818.79 34885.17 41725.08 528249.81 116800.7 40510.31 88785.03 40142.75 9353.17 57665.33 47027 36162.36 22429.32 47493.84 56194.18 22020.97 15909.44 24089.97 8414.57 45385.52 26853.95 68753.78 11983.81 12353.31 4912.26 69323.52 50798.31 55739.9 10823.84 19383.46 51706.8 27833.5 35115.01 35152.69 10129.16 29529.72 57267.37 24786.97 16608.65 9143.39 39899.82 15631.56 20968.81 33713.43 797030.16 112218.76 17285.62 14505.61 116484.62 47487.03 58845.46 95398.11 24864.64 19803.47 11829.63 30126.44 4196.4 18590.57 45384.47 21966.52 66255.23 120667.08 35392.41 4404.28 4399.1 3400.48 4126.94 3424.53 2564.47 2547.18 4786.4 4749.47 2696.98 4253.9 5139.3 4957.47 4676.26 4455.69 4401.27 4645.9 4545.18 4693.4 1478.86 3772.08 3567.49 4319.83 3045.19 3298.95 61824.26 61926.29 61421.6 63849.6 61416.88 61975.13 62061.22 61421.89 61417.36 Siphonol B 3213.5 13394.68 41660.75 722.22 8692.34 5978.26 38560.16 1883.61 2573.26 42070.44 40536.74 3521.52 9450.15 1588.12 12295.48 45034.71 120660.4 8401.43 8726 13994.97 18015.8 24476.69 1363.44 2467.26 929.32 4863.47 19746.83 13017.2 33659.13 4968.15 2641.72 6203.96 37907.96 9120.38 33079.73 5952.95 1360.72 13230.43 435.59 4691.45 14962.64 18652.91 1641.17 12807.17 14012.8 7608.38 34464.75 1053.1 22584.47 11395.24 12927.45 10030.98 10512.42 11565.97 6273.55 30072.52 18980.13 588.99 51430.67 18057.13 7667.51 2786.23 1253.65 15930.35 4328.87 17140.14 9678.39 13511.61 15811.86 448.49 5873.78 24057.75 690.77 23052.46 6965.43 17297.02 14816.52 16672.03 16681.05 16686.16 16679.12 16528.21 16355.43 16345.26 Avermectin B2b aglycone 48730.5 20417.58 68410.98 39571.38 85052.7 116758.19 61711.02 68537.96 62901.05 80033.47 20618.82 87833.58 69027.45 40652.9 33082.87 98941.38 25404.16 30573.94 89932.1 88872.66 70367.57 90340.01 96844.99 50420.96 55114.38 67776.21 30146.22 52695.63 50624.36 56719.2 71956.55 93648.58 27455.09 106109.11 51370.33 29318.93 28737.62 63119.5 17239.19 15284.23 81698.54 74375.21 13321.69 13112.18 77443.15 18602.34 86207.72 27263.88 93906.49 86662.59 41094.38 61781.8 56457.68 55599.37 91139.31 24280.75 20962.8 56905.92 50533.52 47554.49 48284.26 46946.1 79161.18 38751.09 35081.54 77973.01 54458.51 25310.6 19612.78 65932.58 38954.67 92528.65 47015.76 32703.12 21113.45 59422.48 66803.23 66646.03 66121.29 63517.32 73550.03 62915.36 63488 62285.9 Leu-Ala-Arg 5991.41 9131.52 3780.83 78264.09 346535.56 45548.49 72417.74 6203.02 9086.4 4429.96 6150.2 11524.36 19449.76 6980.32 10680.17 25810.61 9442.31 12057.92 18525.47 6332.05 7361.44 11486.31 5886.83 4886.04 7677.12 5369.56 9349.5 6383.54 9819.28 3426.71 7786.8 16785.74 4238.54 1760.44 3524.86 3499.07 4574.99 1803.59 3741.74 4125.07 137096.98 17517.22 4924.2 16665.41 11812.57 29241.74 9471.36 11572.19 4632.34 12868.9 6372.59 6437.82 4385.94 8193.92 15169.09 7456.37 7193.23 5846.92 7790.98 10008.68 6069.05 3559.18 5106.28 7839.32 3141.8 13747.99 19492.1 24121.94 7139.68 5876.11 4696.65 4952.57 4027.38 3213.59 12110.49 18639.62 18014.92 17997.9 18634.43 17969.35 19382.92 18009.34 18886.79 14069.91 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 34914.66 28820.95 65152.17 5420.07 54588.91 152723.17 6975.63 27191.52 39373.53 11892.13 25306.42 7018.29 48999.39 13535.14 54447.27 9953.77 44375.81 88563.45 33610.84 3213.59 34531.83 43594.96 2674.63 25851.93 47409.82 8935.64 3100.78 19296.1 55974.47 21552.92 44215.7 38368.39 17299.75 16887.96 2950.61 16130.98 31903.81 9704.42 10272.91 15767.31 7409.41 52281.28 6545.29 5835.78 10449.02 8799.45 31275.6 9516.72 9908.16 97520.69 32927.34 33462.23 11787.91 23913.75 208656.04 165855.97 111831.9 80788.29 54648.99 1433.63 5909.78 4844.11 52911.16 13360.32 27904.28 21875.97 36012.6 2270.85 23270.25 22625.33 5165.4 3882.95 6309.52 30157.09 3265.39 43680.83 48952.06 48116.12 46912.41 54802 44889.91 44962.08 48511.49 44982.43 PG(18:0/22:4(7Z,10Z,13Z,16Z)) 49644.46 13027.46 13222.43 4059.72 33433.07 9277.16 15301.13 39984.76 5166.81 13131.61 27497.86 23143.78 33079.79 4080.08 16731.21 6533.42 18831.84 15806.75 5860.66 34273.24 16275.72 9912.42 17094.32 12269.17 17564.22 36600.49 8174.57 15660.73 19325.41 20945.6 22692.94 34236.4 29214.36 7065.14 13439.23 35493.08 43223.91 22538.23 11503.24 2688.38 40863.9 1474.97 6531.71 13651.77 32009.05 21752.3 32382.18 37938.67 16530.81 31640.47 18717.12 11400.51 8525.53 18885.36 33075.18 20331.13 17318.76 13147.94 19093.84 8026.09 37602.93 7070.84 43714.68 15309 7582.29 38599.02 46933.58 7111.43 18382.12 12745.25 13419.45 18367.3 11231.13 17947.06 7845.56 27190.56 22121.54 20890.63 22053.48 21013.31 22637.86 22336.35 11733.27 20452.16 (2S)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid 27615.36 27540.77 20674.49 24611.4 93934.07 37239.87 15083.25 48436.85 62435.91 7329.2 2778.32 73608.02 32621.57 72562.36 45688.83 17850.2 6660.18 29883.24 11998.37 59873.52 62878.83 61860.37 15430.37 6948.8 71088.27 29405.94 12073.64 14381.49 44739.85 17064.39 21389.12 46668.89 36112.81 15903.84 5394.58 49483.97 18538.67 7183.1 12831.34 6213.88 24385.47 53762.18 23766.38 17356.92 59762.79 29586.73 55959.57 68544.08 27470.65 11393.46 56463.19 53879.28 18310.18 29380.43 62346.33 54313.3 8316.18 15012.63 39771.86 20573.22 13293.19 5999.04 59131.04 10508.13 8740.31 55130.3 43250.12 5320.93 14438.57 48602.26 30308.75 9663.43 10993.3 7178.11 21602.48 40826.24 40074.71 41367.54 40143.9 37262.33 39933.92 41325.06 41460.45 45666.54 1-[18-Hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol 3-phosphate 17896.6 49521.68 5991.92 39567.83 87327.92 13631.05 12500.64 48687.77 44460.3 30549.39 11480.97 57397.69 59063.12 68591.84 74671.71 77764.93 43245.2 102577.51 88464.69 137522.58 53056.8 27463.98 8737.34 23953.99 22153.59 33571.56 19750.86 9715.46 51176.69 34496 165705.52 125697.96 11330.22 10430.31 20626.44 36322.32 26982.29 15411.61 4902.91 10714.18 117447.92 79932.92 31597.44 19005.07 90872.21 8132.57 48965.3 43976.59 20988.75 202825.84 10198.18 37452 28377.16 42459.95 51040.12 74646.1 48852.2 28553.02 1923.97 20580.63 18233.29 7278.02 53980.26 35839.01 17350.17 76335.2 126506.2 4478.16 49536.62 29276.29 22956.77 30309.88 15365.92 38088.24 30205.81 7437.8 11954.67 8702.26 11738.22 7763.79 20246.76 20883.94 14216.99 11273.11 9123.0 12946.63 11513.01 15375.49 11649.39 9914.03 11407.85 12190.86 11638.8 8797.21 8431.73 12725.39 10111.85 14523.12 13136.01 10434.87 41616.59 39506.21 39761.5 40178.18 40073.98 39513.79 41128.83 39818.6 39879.27 2-Methylbacteriohopane-32,33,34,35-tetrol 8123.95 2716.64 182158.85 60861.13 37088.3 33914.35 23632.95 2889.08 7761.63 15943.68 20428.85 19371.05 60590.48 13880.17 5615.43 227234.29 18296.8 4973.95 16172.81 1776.06 7013.38 25436.91 59475.2 18853.31 4847.09 2226.33 8732.25 12012.77 7137.59 1197.43 8535.16 3472.44 6973.04 25727.79 38466.81 990.06 1943.37 16998.24 38501.51 13807.1 1042.46 2293.16 69935.64 11965.59 2032.31 4327.45 1831.08 9713.54 15812.12 86214.73 3315.99 16300.79 30718.84 76382.77 3520.9 13297.64 43170.82 24318.44 1185.89 10379.66 29730.01 76421.88 8013.16 30567.98 7835.2 25507.36 8630.07 16978.51 13126.36 1968.52 2131.58 8234.81 36108.89 19924.62 37009.06 18734.23 15786.93 20216.78 19030.67 19136.34 18454.36 18461.05 18497.47 19003.83 Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester 2109.67 4238.77 1376.5 1281.45 609.99 707.08 2034.94 2545.17 3528.37 2093.74 942.17 1001.48 2165.05 1929.97 5549.69 2942.59 1962.29 4525.12 3944.52 4327.1 1564.88 1057.48 1660.22 2146.04 2474.15 2908.13 2600.54 4280.28 9801.24 3043.1 6314.15 2673.03 9969.82 1450.82 1395.42 1930.72 892.04 864.73 1564.6 1995.59 3168.21 3523.52 1294.23 1687.32 4015.36 3830.91 14585.56 4697.71 1409.98 1280.59 2394.98 3314.58 383 2119.13 1819.7 3890.31 4399.3 1409.99 4586.02 1424.82 993.89 569.53 3100.41 952.36 2621.79 1968.41 754.58 1494.28 2071.67 2271.79 1911.48 3727.29 1901.44 658.75 2603.21 5328.39 4839.95 4600.19 4876.22 5181.2 4727.46 4689.84 5185.75 2082.23 Labd-13-en-8alpha-,15 diol 95780.75 57077.53 86889.51 122586.97 91694.85 200192.79 238390.45 81916.55 78864.66 98234.2 222790.35 149289.31 173215.46 143199.28 44880.26 86899.74 71173.05 71890.73 85711.12 17814.01 69456.26 159344.22 153157.63 142781.42 61648.63 90273.22 160141.3 179309.36 55174.8 98514.8 37135.53 139543.89 50495.84 160861.14 130670.26 46319.4 67053.23 131796.17 189201.51 163449.42 85376.84 146009.04 145661.62 109402.15 78867.85 197596.72 37298.82 70688.71 98259.16 138834.84 127519.76 90750.72 176400.6 232908.22 78099.55 49665.38 72029.29 53189.44 35829.05 42619.32 128295.74 125422.59 92678.65 106301.42 54124.47 117840.89 72997.72 155965.67 145661.47 60499.32 39635.5 111847.04 99456.25 118418.08 180738.03 107115.03 107956.99 107947.84 106353.61 107953.91 107388.15 107972.21 107980.1 107133.04 1-Oleoyl-sn-glycero-3-phosphate(2-) 21297.15 24783.33 15716.29 9971.97 15925.71 86577.12 9462.33 4722.97 28716.61 17654.14 24919.15 12701.23 6412.26 11152.66 30318.76 20499.47 8353.32 14820.13 2878.49 33794.73 36519.53 30356.95 49914.24 42932.91 17292.79 36777.53 26669.29 24115.54 14438.24 9708.43 23647.46 7360.12 26598.37 30687.39 28364.14 10529.6 27061.32 9255.92 21097.72 8976.05 28729.24 21104.24 3934.03 11204.79 57549.23 11393.81 5445.61 17048.09 3468.77 5063.48 12019.89 22625.12 2735.58 16167.72 16869.08 14412.05 897.41 4028.09 15852.66 8236.21 12270.17 11200.62 24818.05 9039.65 12074.2 42729.41 55068.95 9910.38 10915.1 22163.33 29286.64 26419.97 20713.05 3301.55 1290.86 23314.2 21899.29 25112.58 23476.14 21939.55 21984.37 23381.88 21961.8 11611.4 2-[[(E,2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium 1770.11 1062 4207.77 6022.97 6681.27 321.51 7353.71 882.87 652.83 1276.59 803.99 244.47 12119.65 3028.33 547.69 1869.75 1781.7 682.28 2458.17 1041.39 1260.5 1462.39 4478.89 3815.96 983.44 273.56 6983.12 2177.72 507.76 2305.24 533.85 3704.33 1709.42 6187.51 3319.24 1079.47 3120.1 1706.07 4676.03 472.75 501.68 6694.37 2792.24 2632.84 1194.62 10389.2 1400.12 883.51 8528.22 2160.74 620.88 3008.58 7272.01 7757.32 4616.77 3728.29 4585.54 4658.91 2339.39 2855.25 269.53 2113.86 1140.15 5640.08 1844.19 3154.24 1654.05 3268.1 2607.33 742.5 4279.53 2464.52 7691.5 2314.78 19475.74 5490.8 4547.32 4604.41 3945.86 4176.37 1909.32 5280.11 4712.41 2617.66 Crenulatoside A 75853.73 46946.33 6694.54 17480.62 305674.5 137070 7752.38 152837.86 151688.52 7535.71 6108.77 246943.75 57605.61 2246.73 42885.77 83026.65 10114.06 74305.05 89587.9 111521.2 287527.75 19797.5 89784.83 4841.93 113065.46 103845.65 82135.73 3626.4 110807.08 68217.73 142266.09 142907.22 120167.75 11017.04 3439.78 108379.08 104169.08 62061.79 13695.95 2269.42 100548.28 127575.02 31765.93 20285.99 132144.91 45557.24 125979.83 154359.06 87247.39 38462.76 148239.74 116941.87 89376.96 61679.76 121945.16 75906.46 57942.26 21029.87 94738.64 33864.03 21047.43 65063.24 114924.85 13158.04 2646.85 99170.17 54396.59 3307.44 2718.16 133681.51 118168.49 51154.48 42846.84 10675.54 10191.29 113365.8 111379.66 112191.13 110158.66 109461.09 113660.34 112343.28 106368.02 118354.18 LPC(0:0/22:5) 29550.98 14641.68 4112.87 4748.53 14515.22 26991.66 18976.58 26037.97 35379.19 33384.86 20430.44 19610.02 9651.68 127322.7 12156.48 31412.83 19856.76 13914.96 68296.19 20231.17 26258.57 31582.69 2174.88 36718.18 11136.4 3154.49 2445.98 29590.42 57422.83 7386.4 22831.71 38548.24 9817.9 3368.07 7614.58 9831.61 14931.06 553.99 2622.68 228826.59 15638.56 5139.81 39837.28 97137.54 17519.99 14505.47 17058.35 95570.06 9468.62 35181.58 26211.87 7536.44 20479.52 108831 24324.99 19431.82 9007.99 1864.49 17242.73 29508.91 32500.29 1764.22 4477.82 33500.14 35177.12 3186.96 15720.08 19174.3 23444 23393.85 177885.18 3226.27 37719.11 96539.54 19294.81 26208.19 25345.61 26844.27 26242.67 27385.91 26573.11 27448.53 27386.78 26378.91 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-) 8855.59 11311.19 4720.65 11690.68 20696.66 30476.19 9826.04 27579.45 25867.71 13244.45 33127.78 8177.18 23396.81 13749.34 7031.82 10628.78 6901.77 11075.73 13704.1 13547.73 17573.42 16385 24356.43 16300 23690.12 13999.49 14018.3 18768.26 16662.9 2676.02 4646.64 23238.32 6733.98 20408.03 14503.2 12224.61 3784.19 12330.3 13436.88 9712.28 5344.38 22038.63 17448.41 7365.02 12440.15 10263.43 12090.27 12612.04 10543.48 23450.8 9508.07 11211.45 13541.19 30370.02 8613.94 10226.12 11441.88 8006.91 10085.73 3308.07 2565.49 10443.34 13600.78 16749.58 10368.62 17886.52 21871.88 17692.54 15542.02 10684.15 14154.12 12671.39 10021.31 10433.59 19488.43 13602.18 12730.33 12749.66 13777.07 12992.84 13489.81 12736.33 14015.67 13613.33 PC(22:2(13Z,16Z)/24:1(15Z)) 4860.54 734.22 2549.88 3111.06 8177.53 6865.06 6232.4 7323.65 2098.62 8666.02 9755.92 10043.46 2190.57 8084.64 7336.9 990.06 5947.1 2749.12 5285.82 3668.21 6513.24 9564.57 6907.56 8275.77 6941.74 4030.83 8586.97 9140.46 4113.24 6695.99 14027.06 7920.31 6332.28 5209.83 5901.02 4434.22 10793.95 13827.7 4280.2 9199.24 1334.43 8708.58 7877.42 19606.2 6689.29 5838.79 2394.85 5495.08 9624.99 4167.35 4128.61 19778.11 16091.54 7412.86 7556.28 11659.7 8987.49 5698.31 5859.51 11442.93 8880.35 7485.46 7624.37 6671.14 6082.7 18090.03 4604.27 7617.44 8643.14 7887.78 13706.33 3755.22 6504.16 7046.79 6456.86 8907.1 9055.33 6183.37 8701.24 9468.31 10088.25 9344.68 9339.32 9363.96 Phe-Asp-Arg 10466.59 21880.51 5771.81 14410.36 25018.06 19463.15 7057.43 8751.34 9022.23 555.75 11760.07 11603.65 30740.32 36726.04 48597.83 16560.04 40475.23 84488.95 23079.79 29614.66 18485.69 7812.57 7808.1 1554.29 3984.58 7672.75 12842.22 7299.26 40638.6 11115.04 31553.97 48660 8849.21 6072.7 4684.82 14197.46 7933.35 6610.97 18268.37 2943.93 20522.41 17033.74 6996.41 23270.23 39741.7 17757.94 22859.73 16895.27 34389.3 33056.77 10566.06 31606.95 11633.04 16949.9 36425.13 65335.21 7529.94 7029.4 4460.84 10289.76 6190.95 5570.11 27454.35 9608.38 7726.61 47976.9 69952.9 12876.55 13312.47 3813.87 7696.11 9621.98 10239.4 17350.78 4403.16 22363.22 22790.12 18278.32 23228.61 23322.54 27807.71 22056.77 22120.94 21993.93 Phosphatidylinositol(18:1/18:1) 26496.16 11108.47 25493.06 7602.37 13370.67 106177.76 16105.14 21072.95 11720.82 15373.11 7470.29 7927.48 37059.82 28055.74 16363.12 22549.66 2259.4 17065.03 29391.06 22484.23 24877.89 17038.26 7201 2867.27 5513.46 37864.06 5576.09 17415.89 13669.22 18231.01 29177.21 47009.3 7975.74 37842.73 8662.12 14406.61 17888.71 1404.1 3956.58 9690.88 33655.01 49010.76 13529.56 21364.4 26434.33 11230.35 19163.03 23941.38 16191.06 93444.18 18080.85 10568.68 18595.78 26291.07 14230.24 20779.83 24833.79 17711.25 15836.85 5904.09 10126.8 6568.46 5476.2 15693.7 21911.72 11941.16 11594.49 25187.11 18474.86 6237.92 7061.29 9814.01 16642.25 33836.43 62946.91 16701.21 13800.45 19192.28 20291.05 18727.21 15235.23 18700.06 16781.47 15186.7 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) 189080.81 109391.18 330831.94 301296.06 94218.17 131822.4 150550.35 60338.62 147786.63 115081.22 108434.81 90507.95 528537.96 134181.83 4509.3 99328.58 164167.12 56113.76 22959.23 75627.35 111798.19 17673.74 104388.13 110972.64 43112.17 89667.82 63209.42 111510.12 77047 49424.75 73754.71 102206.11 1793.14 125470.74 83197.79 51789.38 80255.35 78841.7 50607.03 74129.1 18912.96 43538.79 88696.37 379817.79 74744.62 103736.52 41983.01 11980.95 17972.39 24565.64 91377.86 28781.4 14107.53 22542.5 239180.64 89377.96 454410.83 246671.35 15391.5 10991.68 91149.16 8529.55 162945.26 10773.6 2849.92 189107 57180.02 161764.79 152234.21 135075.7 28843.15 32190.05 100185.36 85597.77 150189.39 97340.93 69578.91 101466.23 92334.72 88366.92 97533.53 95629.51 93064.6 96769.33 Arg-Ile-Tyr 32014.33 15274.43 2271.03 9840.9 357631.07 19130.26 19664.84 198033.69 16674.66 14301.96 13001.06 22278.37 30955.5 9550.61 15421.88 27029.43 3740.05 15746.63 187843.94 34725.15 150076.58 4814.93 16920.9 17053.2 9049.26 12494.69 18546.2 12776.29 156153.22 24233.49 17684.95 44780.84 5010.49 7892.78 6111.27 44073.63 7716.32 3688.9 8551.83 5976.27 42284.46 26263.03 6807.1 5352.03 33941.84 16516.28 14511.75 13827.05 16601.74 22819.04 9509.35 5326.75 8704.27 24243.37 17810.62 8445.9 17301.01 3767.05 7141 3075.27 12281.75 8630.51 11665.64 5690.17 9946.72 16932.78 28651.23 21337.27 29142.18 210044.26 6067.61 12038.54 9294.73 10980.86 78289.67 8303.79 16926.52 16386.88 14287.11 18200.89 18193.02 18075.11 18086.79 18251.62 Bis[1-[(1E,3E,5Z)-1,3,5-heptatrienyl]-8-(2,3-dihydroxyphenyl)octyl] peroxide 223308.02 456725.29 327588.06 205000.76 230438.21 360470.37 198340.8 242102.72 171743.68 316710.97 239725.96 185791.76 238682.08 159870.51 328683.82 257916.8 429537.09 198826.41 403682.86 168059.59 281514.2 187180 313069.54 359522.17 288399.49 316182.75 388291.41 369430.03 557546.09 68799.71 131089.37 161497.26 812300.31 213109.5 346455.64 368373.81 259172.1 375802.36 420057.73 363647.48 144767.26 181143.13 339882.51 322798.8 217275.88 141709.88 367271.57 373673.66 247026.55 217893.09 180942.53 429814.49 338005.76 276939.55 198956.97 640533.87 261781.41 242617.14 543012.97 370380.89 404440.83 267846.94 341089.59 352065.09 284627.05 203467.82 429282.92 329260.19 359990.61 393582.19 408940.22 344827.43 273771.05 336322.09 128003.58 319851.28 325476.73 308694.38 327470.56 327158.83 327952.07 327894.84 330710.59 319800.46 7-Hydroxymethyl-12-methylbenz[a]anthracene 2668.58 949.1 2739.78 3387.76 8233.23 21742.15 2096.47 2490.66 913.51 1967.17 6253.87 1083.14 23265.98 3432.6 549.13 2799.01 3131.28 582.07 1700.16 1630.92 1339.4 31392.15 2670.95 1736.11 3069.78 2660.73 2338.99 1750.09 492.74 2083.56 2376.4 4117.33 2813.16 4278.12 12722.64 2955.51 2168.55 2597.16 2041.52 514.39 2897.22 4483.48 2724.57 5814.83 1138.09 22476.42 926.04 3832.74 6259.44 11634.27 4846.71 4236.06 4912.97 2266.78 2001.28 2918.77 5418.25 1476.57 394.27 4567.27 1139.95 3820.37 457.06 5555.37 3484.88 475.87 2274.34 382.21 3174.28 1656.96 2431.17 3319.45 440.97 2782.12 4948.73 3096.18 2794.8 2547.6 4572.41 4519.94 4169.81 4704.06 4862.56 4493.45 Dimethylthiambutene 2605.69 6252.3 3154 3319.19 992.72 17907.15 4003.32 4976.76 1443.71 8246.55 3557.58 3050.19 4776.04 4943.59 5658.03 3699.76 5503.5 3856.54 2972.4 2584.16 1293.17 25331.13 4437.76 1958.73 8925.4 8346.32 7439.57 3489.86 4507.31 758.92 4751.72 2607.98 6278.53 6345.49 4802.2 5935.36 6010.5 9390.34 7463.55 4777.09 8736.89 7655.41 4696.1 6786.61 4498.14 5396.22 1319.84 3602.36 375.18 4867.89 5083.78 6840.23 8949.86 8575.15 2434.5 10965.53 4168.64 2318.01 8880.9 9976.01 5270.65 9706.49 7970.41 6196 4086.95 9038.01 414.05 8628.7 8038.95 6527.05 3868.09 10551.44 4773.18 2648.41 4126.49 7827.69 7540.45 7831.02 8082.88 8191.6 8270.07 7921.59 7580.2 8667.48 2-hydroxy-2-(4-hydroxyphenyl)ethyl 3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylate 16175.41 37079.34 14281.72 6243.02 4725.17 9068.48 5138.28 29821.6 20587.62 28137.86 41577.61 25372.54 23144.01 21268.91 35034.78 19612.32 29424.41 33139.79 39768.85 25934.74 16273.72 8439.86 20673.5 27886.45 41521.64 57712.35 42230.03 24928.05 66441.57 26244.63 26105.33 18557.12 64104.77 16122.88 34444.86 39063.64 29028.84 16503.26 22448.29 41772.97 39392.42 35427.74 50183.18 17178.32 34802.53 15983.27 58483.3 31162.02 27494.69 53860.8 14553.95 32243.81 27280.84 38378.85 37007.43 51812.53 15870.93 15334.76 54250.6 20795.09 14798.37 8682.58 32092.3 27134.52 54348.56 20465.34 11371.59 23247.97 44497.89 22497.39 77075.57 43137.57 46298.26 35279.72 21904.48 43870.66 39532.08 36530.77 40543.25 37883.18 37972.11 40440.39 40537.91 39625.48 1-(1Z-octadecenyl)-2-docosanoyl-glycero-3-phosphoethanolamine 2925.75 2634.85 899.01 2398.95 2443.51 4253.27 998.4 1077.42 770.32 2700.41 1461.9 1387.96 1882.54 1452.42 2017.7 1536.79 2068.5 1954.28 1161.68 1414.7 555.04 394.48 1149.58 935.36 2400.33 2203.47 2246.33 1454.57 2381.17 948.12 515.08 687.29 1776.67 791.01 398.44 588.04 345.39 3369.78 879.82 2716.61 449.42 3399.19 993.09 847.18 1434.89 840.49 1108.74 2580 1005.26 4344.07 4201.54 1834.46 2945.67 4050.4 1700.75 2487.44 818.44 768.2 1542.86 1356.57 2622.13 1060.7 1937.53 701.56 681.11 2303.65 1194.22 1025.27 942.48 727.23 1146.88 460.78 1267.22 2071.97 1311.04 2157.58 2108.72 2119.85 2059.29 1917.96 1909.78 2208.06 1896.55 1914.06 1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one 9574.74 12719.08 20415.6 16883.55 18491.3 24723.64 14257.65 5335.96 27438.71 30230.02 33109.13 19070.48 16854.39 30338.48 15467.04 16822.5 20914.5 10279.79 56928.2 13245.89 17140.06 19859.72 45707.13 45827.83 11380.43 21572.21 36854.49 57592.75 27547.8 23296.56 21907.56 37893.24 23446.02 21206.2 52925.66 22973.23 11351.65 18338.99 37857.47 20438.23 26178.11 36458.41 47192.41 22910.9 28700.89 41552.09 21546.36 45049.17 26453.71 21293.49 22066.84 17119.67 40225.34 42442.17 12857.97 18718.16 40691.98 23202.77 13238.95 7161.97 20451.75 20227.64 12544.61 33898.25 30526.29 19520.17 14319.9 33952.75 24688.5 11893.3 22180.64 24740.98 24193.24 25653.64 17924.55 25158.59 25473.1 25188.95 26384.61 25080.1 26542.89 26399.45 27231.89 21386.98 Indole-5-carboxylic acid 8873.47 17153.28 56345.47 31354.38 16423.11 8393.58 10411.58 947.89 18585.17 23401.99 1744.64 847.92 15319.8 1580.41 11526.35 12635.58 3925.44 8268.95 7590.15 22058.29 19427.1 11135.49 24114.62 1212.94 10986.98 1755.36 15039.06 3380.87 12517.71 3141 12192.83 10704.96 15627.01 72745.49 21704.21 8654.1 8682.61 4267.89 4044.21 811.02 4934.83 1149.18 4773.33 2584.73 16557.02 1702.05 9728.15 12642.53 5708.36 7384.64 3150.65 56189.57 6627.56 4611.87 3817.84 15648.1 24084.23 41620.36 7489.01 1220.04 15902.18 110783.53 1942.15 2020.61 3732.81 880.11 12777.76 3399.02 846.63 10697.05 9582.66 29877.08 3533.99 8494.61 1541.6 6407.48 6785.45 3018.64 6577.49 6378.52 6809.54 6373.15 6790.65 6792.02 RA-Xix 4909.61 11930.7 31628.1 2673.97 14569.43 14187.29 32067.66 9041.66 6465.88 52439.57 44092.61 4973.37 7698.85 11646.26 19975.7 32321.2 94457.2 11052.56 10220.59 10162.25 46621.41 51387.7 1193.24 604.39 5291.23 20460.91 8396.18 15842.42 13960.15 2501.78 22734.04 3358.34 167134.47 9955.3 10012 8349.68 7399.17 46114.81 1087.13 5220.36 14960.18 30415.32 11316.98 41332.07 21062.14 18061.37 12257.68 13821.89 11106.91 41892.39 29868.96 21624.36 12564.64 4960.09 4193.96 20112.03 51276.06 1866.8 59650.84 11173.6 13486.61 1874.16 18417.98 3624.16 9176.76 23994.08 31186.57 21684.87 37467.5 9296.93 9425.02 30773 2946.49 8269.01 4977.56 31298.18 30596.5 30778.19 30754.47 29734.16 31699.99 31840.26 32350.11 31759.52 Nostocyclopeptide A1 45324.85 158140.02 58142.75 69271.21 56760.19 98849.4 58845.95 136031.15 41929.57 74682.52 120881.79 71548.11 56267.98 5190.97 64306.05 56986.79 90769.05 42756.2 111633.74 29304.58 49640.81 54789.58 79555.37 87180.16 56809.79 55394.91 77327.51 88736.14 91913.04 10222.51 16066.25 34517.79 215258.55 44607.99 65669.66 121466.44 82309.16 9456.67 66278.09 69035.54 27721.52 41822.21 92079.66 81339.59 69739.56 62519.36 87851.76 9190.36 51709.69 30089.06 48167.65 164713.48 80066.01 72781.58 56864.66 115927.62 55770.28 66875.56 82691.94 82968.7 135780.1 59313.36 80612.35 66369.79 44182.9 74165.92 99638.56 91176.53 77474.26 59364.8 78416.26 82498.63 92232.91 55845.95 35353.54 80235.8 76617.09 75453.37 80164.71 88387.09 76794.15 77821.17 84273.11 70307.47 1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine 3178.55 1295.64 4814.33 9544.15 11288.33 7864.97 12202.65 15413.38 10861.28 4003.59 10287.78 16986.75 32440.68 11258.98 12155.76 22928.23 1884.25 4948.53 18354.85 12975.61 11152.03 4223.66 7220.41 18949.62 5386.91 3837.61 5637.56 11849.82 11271.52 10583.27 3576.3 37794.1 805.26 14993.78 8115.51 9530.86 2650.81 1848.79 6026.58 2615.1 16532.85 6801.31 5194.36 1391.49 3506.36 17547.24 9374.56 7155.27 13925.43 39576.52 4073.41 1049.42 5430.76 15719 1615.29 3102.82 9907.59 1424.83 2080.34 862.2 9771.89 10316.8 7187.37 5410.64 4051.24 8095.23 5461.07 8604.74 12191.8 9265.62 5788.95 17885.89 2311.75 9342.87 5829.88 14053.78 13045.99 13639.5 12871.34 12719.89 14172.42 14272.6 8566.84 14104.89 (2-iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone 755.8 1567.05 1801.02 2561.47 751.27 5419.11 666.97 636.6 438.1 596.08 1473.94 3567.29 3775.12 3152.97 1372.15 1509.18 783.63 546.11 2164.36 2111.49 1578.82 2347.93 571.19 680.78 829.37 532.37 2312.41 5616.92 837.46 11210.73 2233.99 1136.03 678.89 11985.56 5085.47 1090.84 3648.04 3958.72 5868.37 13210.65 1850.73 1522.6 4108.96 4875.87 2363.46 7622.75 5255.26 4195.38 3706.88 4337.26 3198.65 1773.08 6954.91 7376.73 2815 4105.17 523.15 3730.38 3849.38 10309.01 6324.83 6397.58 3368.95 15178.79 8497.9 2594.78 3739.25 12486.6 12472.45 3764.48 2558.94 2849.76 4490.82 6322.24 7014.44 3814.63 3808.62 3514.64 3883.87 3346.35 3848.98 3863.09 3810.34 3268.24 (2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid 11506.66 5179.2 13629.92 19186.79 27487.55 7293.56 9237.04 14664.57 12154.86 11540.93 23032.61 26400.27 24191.94 1909.14 9413.23 2624.56 19755.37 14987.4 17758.58 15337.86 14094.54 10758.2 7262.96 13830.55 31027.56 4770.29 12242.77 18758.67 8248.52 19780.76 2966.67 39764.74 5091.96 16377.59 29567.22 8660.72 35494.37 20160.46 23038.54 7835.72 13924.52 35137.12 10702.58 54053.01 16023 13584.36 10258.01 21286.21 25813.68 8707.46 16370.84 43378.33 16237.76 30404.01 21630.22 6297.12 7755.99 6327.6 21948.37 28745.69 5289.32 5298.6 16856.18 16237.1 17792.52 19667.63 4036.82 8862.52 1099.78 14902.22 21143.01 16407.53 23411.78 11543.51 15555.52 15006.69 15424.05 17102.89 10508.62 15980.43 15174.02 12115.29 10516.07 14865.52 Phe-Trp-Leu 12237.02 13929.86 3904.07 6307.94 10503.53 7593.53 3474.06 8893.73 7445.02 8735.24 8361.71 12952.53 12965.94 44267.32 15734.39 10516.93 8878.71 16424.71 38015.25 29312.92 5214.93 2587.92 5573.19 17368.53 8071.54 6743.8 6062.52 4548.77 17185.55 9886.12 25217.23 37354.84 2706.8 6435.76 1410.25 10956.79 6731.61 1359.59 1627.06 2859.9 19114.11 26694.19 10927.05 10684.19 13250.73 1647.18 14004.36 6572.16 11770.74 42019.4 20901.1 7994.01 4614.94 21943.08 5903.26 13711.73 5006.24 6812.66 2802.41 2853.99 2445.52 4584.61 10509.54 7453.28 4043.78 5582.34 37628.23 6711.28 3782.3 2319.36 6479.15 7281.78 5020.14 18108.1 2881.36 11199.03 10387.41 11087.35 9418.87 11561.52 10505.59 10400.03 10597.13 11077.92 5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3,6-dihydroxy-2-methoxy-4-methylcyclohexa-1,4-dien-1-olate 11860.82 14157.27 10342.34 15438.4 7367.78 24436.48 2187.6 14302.56 7880.54 6861.12 5360.38 5784.19 5575.41 8456.31 10311.04 11882.46 12972.8 3562.42 13060.15 9218.82 8003.39 21380.45 19892.1 15535.65 5195.63 7597.21 7846.49 14268.23 7800.92 42074.16 2024.16 12558.04 10374.18 7238.32 19339.09 3074.58 9901.08 20442.57 17766.45 12864.39 5779.24 9169.84 17009.04 15194 756.81 4424.17 7838.61 26168.35 11360.3 3507.28 3328.34 4577.73 7826.65 4066.79 2005.97 7278.33 3541.87 12130.25 12825.62 17597.26 15929.93 17552.86 2550.33 20934.85 14883.58 13174.16 6620.28 7194.41 4052.75 8262.56 13400.25 10184.68 8299.11 14884.21 11912.93 8782.66 9177.45 10419.8 9545.08 8889.83 9463.41 10113.53 10080.78 10755.47 PC(P-18:0/22:4(7Z,10Z,13Z,16Z)) 1622.99 1954.42 3112 6238.43 9589.49 10738.01 4745.62 4449.39 2050.53 10327.33 4493.05 1848.46 1242.16 5487.2 5973.53 2855.8 3493.82 2338.93 3606.78 1602.67 2271.42 2531.81 2368.63 4750.21 2969.8 7999.87 5269.58 3694.35 7399.57 1680.85 3452.46 3189.65 6715.88 5567.19 1697.39 4458.03 3067.71 8791.87 3086.64 5781.77 2749.11 10300.36 4033.61 1731.17 6300.28 5271.05 5166.82 4624.08 4545.04 15329.06 7779.84 9504.19 5618.19 8435.41 7821.08 9584.17 1812.66 1341.52 8119.13 6838.56 11319.93 2352.61 5702.12 7376.97 4461.93 9131.17 1600.76 2912.09 2980.28 2713.63 8018.49 2558.12 7416.23 6034.46 5199.02 4324.53 4326.45 4443.07 4502.98 4165.5 4304.37 4862.35 4556.3 4151.65 7-Methylthioheptanonitrile oxide 1748.19 2798.29 438.84 1369.79 388.18 4986.41 943.02 4278.1 3195.81 1598.4 363.1 3704.04 4146.64 3013.19 2031.89 739.94 545.34 2869.83 1856.57 6711.46 5575.48 3079.19 1588.11 825.62 5040.62 3789.96 2010.25 1560.9 5539.32 865.43 5226.15 3110.05 1232.61 1057 685.01 4217.58 2297.41 2556.89 789.66 911.01 5270.3 3512.05 604.26 573.42 8924 1580.76 4360.11 1964.51 1456.17 2525.73 1601.14 4536.56 1073.59 1139.87 3233.26 2589.77 319.83 656.5 1249.01 1936.23 880.85 411.71 1311.9 1669.3 601.54 3379.29 4270.86 566.08 784.21 2826.05 1560.42 1585.49 756.65 1106.01 610.49 3101.76 2919.35 2808.97 2262.42 2818.42 2927.89 2979.41 3162.96 2950.59 1-Octadecanoyl-2-hexadecanoyl-glycero-3-phospho-(1'-myo-inositol) 37578.36 10108.82 22485.26 19709.65 24944.83 12653.63 55335.64 4291.24 15190.91 14398.8 23330.82 62766.83 11270.53 45140.14 30233.83 31190.11 4756.86 11158.96 20453.66 12729.92 10603.13 16761.58 26880.11 37317.14 10702.81 8167.19 9162.87 24778.96 16751.72 859.75 10720.27 16042.84 1639.95 3665.53 22870.31 9618.36 10202.72 2717.01 5621.66 11647.01 10785.94 11715.8 5964.43 9077.98 14345.8 7496.19 6343.23 27288.72 565.95 15296.86 10266.53 6323.93 22036.32 12900.16 3369.98 6935.54 7063.24 7796.49 9359.95 12714.13 10642.89 6032.62 7260.74 14315.82 36958.08 9898.63 13759.16 7671.45 10263.18 6353.21 7875.87 25927.59 16092.12 20169.23 28931.48 16478.89 22734.88 26219.1 23854.25 21194.82 21018.17 30540.42 23203.83 20729.94 14-Methyldelphinifoline 11060.33 19027.95 12153.56 11363.63 24785.24 26110 14201.01 26511.03 13899.53 71656.89 13498.96 34640.82 58722.19 28587.67 16693.26 23141.31 8645.23 56249.47 48720.18 74937.77 20688.13 28430.39 19477.96 11356.27 25523.57 27818.45 4719.86 1958.35 72288.67 13596.29 55927.25 50329.77 14206.29 25218.02 10663.87 39577.19 12909.55 16785.15 6247.25 3724.09 135631.71 25804.04 6985.94 19989.25 103605.98 29047.28 40125.64 30452.5 34383.56 38125.28 10184.72 20253.41 18078.16 28483.38 9465.42 20797.25 18922.39 4202.71 20206.95 13970.13 17816.63 22698.65 10914.94 17248.92 9897.77 17477.98 14183.3 13420.55 28776.08 17121.95 17400.97 4935.55 6367.08 17291.52 18930.57 30666.58 30639.64 30149.66 30472.9 31259.3 30551.76 31106 29824.19 27995.85 PA(22:0/22:4(7Z,10Z,13Z,16Z)) 9473.56 9263.6 1695.81 1902.48 4179.41 34800.88 9006.87 4527.49 13325.99 2353.76 6825.53 3133.03 685.15 477.63 5885.6 11731.54 15217.5 6749.76 4723.28 26274.85 4475.08 5592.96 5148.59 22126.18 7119.2 5299.86 31370.71 7340.32 20539.81 5608.4 4244.14 8526.79 7426.08 3218.17 4050.52 2404.73 3757.07 2444.88 5425.32 3656.68 11045.73 8638.06 3363.45 4840.83 10580.95 2462.54 5417.78 4570.63 25978.05 9778.59 3467.93 2972.91 3019.52 9148.06 13978.34 7357.14 1849.52 2988.94 2842.61 5437.66 3560.15 5522.61 9017.21 3973.9 4660.84 18088.92 10853.37 20257.94 10638.92 2700.25 10706.49 3656.04 14358.67 3773.92 22525.93 42808.53 5885.09 37893.84 29176.51 37716.18 36386.9 43396.44 52276.46 42413.82 8586.23 8129.35 8468.95 8631.59 10254.22 9449.73 12090.08 7724.42 7498.59 5-Methoxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one 4027.95 15208.33 19603.7 23817.32 17120.7 8470.23 15088.89 11398.48 11322.24 15487.28 18800.39 9614.01 14540.22 17560.32 4457.31 13387.86 7866.34 5482.64 2652.16 7489.74 13005.97 16536.7 26865.48 8851.18 5617.93 11454.66 12056.88 13955.97 8651.99 22575.76 7854.81 9448.81 26087.53 16663.1 21086.08 7329.48 32936.91 6466.82 13626.24 7774.15 3019.43 4606.21 16036.55 7913.13 2750.06 3418.14 40923.09 28251.46 71776.93 9243.43 7021.89 11663.76 13264.45 11657.86 7902.65 9674.16 18960.41 9880.09 17984.71 6160.48 15234.57 13237.5 23156.17 5869.03 9133.89 9385 3566.55 11551.18 7319.02 6265.3 27632.69 3312.49 3392.91 17723.66 12678.26 11104.43 9652.51 9752.51 11341.53 10598.71 10566.29 10738.95 8816.52 5059.46 Bis(7-hydroxyheptyl) icosanedioate 6080.41 4207.09 4367.17 2774.37 22865.73 29378.01 10997.57 5546.04 3781.58 4210.04 9701.82 8947.83 9682.76 10792.62 3638.11 65079.16 6330.29 3787.92 8916.88 3962.01 4929.25 6539.61 3159.93 13522.97 4265.29 4016.83 4415.83 5388.59 8207.77 3175.32 3757.86 7209.88 1874.02 2243.95 4978.36 3122.88 1829.34 2158.54 2635.89 1082.44 2463.59 10173.26 4130.82 695.57 5713.71 2484.12 1234.87 5750.37 5456.34 17295.52 6334.89 3623.14 3365.71 7153.94 5397.75 4601.83 15457.41 546.25 774.41 5085.03 7196.03 4699.69 2612.71 5004.3 2266.91 13364.46 5844.96 6040.33 9796.25 1934.14 1764.76 3939.33 8247.36 22709.37 4422.67 9605.93 9695.15 10868.39 5872.81 10866.65 12486.77 9621.13 8154.39 11329.6 Gln-Gln-Glu 22033.52 5377.15 1534.96 20302.37 45527.23 7632.46 19697.13 29175.79 40196.32 2148.13 2999.04 112821.24 112560.28 23245.71 41148.21 8456.68 926.22 3727.33 15957.88 1952.35 45733.9 620.65 30460.18 1516.48 55242.28 25693.93 13237.87 7652.68 52027.33 32321.17 51699.39 8263.13 790.39 27450.79 5323.7 10922.37 28102.26 1340.26 10381.51 69339.99 37252.29 70158.62 1229.4 1825.36 8370.29 3799.88 2513.84 4099.57 7560.22 18113.11 39240.66 14998.44 5879.42 7535.18 26821.64 17149.84 1268.51 458.6 15384.32 778.05 2814.9 301.34 3134.75 1713.56 686.1 50011.35 23001.45 7923.22 2114.11 32743.29 12609.96 25725.94 15271.77 2056.73 5414.34 30389.69 32087.35 24672.16 28958.12 26513.01 26688.3 26445.19 26510.62 28061.63 2-Aminoacridone 23098.28 37474.33 69792.72 102997.02 29914 13822.51 24477.85 11079.38 15613.71 6644.71 18309.92 28684.02 47606.19 24415.23 27199.98 43982.87 83919.36 17433.69 9914.79 2726.66 15140.09 5701.68 8858.84 28351.51 16708.91 4271.25 5342.12 7483.41 1207.76 1843.12 2613.63 2408.39 970.16 4569.14 5107.83 7756.25 11556.18 469.42 6099.33 7130.31 9479.38 2861.67 10858.17 16589 3900.81 11724.55 3084.29 2367.65 3219.27 4156.5 7213.16 9331.67 9942.66 9721.57 24693.68 13337.46 162572.84 36780.95 2386.68 8043.77 17041.95 2704.73 14694.07 24292.78 11659.08 21742.27 9174.65 15019.59 57315.77 8966.46 2627.07 4120.43 11115.19 23055.84 24037.63 15185.01 14482.49 13750.81 13861.87 13977.97 14513.15 14720.47 14509.72 14202.98 Avenanthramide C 4343.97 18484.81 6170.99 4323.31 15855.83 25477.25 3243.33 8616.66 9891.1 9648.75 5967.17 4681.74 6772.99 1632.47 33768.99 8601.72 16103.62 13530.58 8433.39 12474.58 17251.9 12295.33 5008.76 3471.95 18132.89 12372.74 2964.65 2088.48 5938.34 656.81 12110.45 3559.04 13790.89 4823.58 6901.35 10855.4 17690.15 12095.76 3564.96 6646.45 15293.81 13109.21 9120.42 9309.63 20464.2 6078.66 16078.56 2738.56 1718.21 7310.46 5294.12 19668.68 3967.91 13680.74 14663.85 32375.99 8629.14 8812.3 12163.78 30030.04 3140.32 5417.45 23023.2 18643.82 5867.08 22618 26205.92 7017.41 8157.34 20235.79 20661.6 5030.17 6283.31 5312.61 6749.99 10161.09 14042.81 13387.83 13231.47 13175.83 13315.14 14585.08 13694.83 14304.11 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[4-(2,6-dihydroxyphenyl)-3-hydroxy-2-methylbutan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1111.83 778.08 3876.33 2204.08 447.26 53534.48 835.89 5270.58 8408.68 1572.53 133.65 308.08 195.36 955.25 6343.92 2486.42 2137.55 420.03 775.4 4183.54 6320.96 56945.8 197.82 657.9 3906.76 2721.12 619.74 907.25 6566.01 1104.91 6141.05 455.3 2279.44 4861.43 94.54 952.51 1080.78 46563.31 305.89 7815.93 2282.29 4347.48 3924.02 392.46 3629.58 132.66 4787.88 3092 2655.62 1645.46 1270.06 2085.41 78.77 6944.76 2730.44 1769.23 3585.42 3950.26 1528.13 29505.74 542.09 1399.14 1113.56 4936.55 1888.48 1001.6 3259.54 1921.95 1270.24 3450.77 4280.89 1017.01 761.4 6659.42 191.86 17246.02 16502.84 16499.17 16599 16508.25 16760.49 16756.67 16497.64 16641.96 PC(15:0/20:4(5Z,8Z,11Z,14Z)) 12114.88 4132.36 8438.02 19004.03 10342.28 51110.3 40284.66 6112.63 2876.41 7455.07 10068.12 22830.39 19129.53 9237.12 4085.39 31910.58 5227.2 9765.78 15914.29 6372.82 7261.35 18214.99 13844.37 12352.55 7864.28 4591.63 11073.85 8624.82 4532.87 6604.63 6397.61 10177.84 2028.76 8216.95 5839.7 8575.2 4450.3 2385.5 20563.71 4567.8 2911.37 16022.21 15515.99 982.67 2065.75 7582.73 1528.53 5467.64 14099.03 4921.66 5623.88 3128.93 14935.81 18634.94 6249.75 4191.7 5687.5 3352.61 1932.52 5526.54 7179.12 11089.8 8215.97 14042.63 4464.59 15551.02 5635.96 8840.26 3105.58 4295.11 718.71 8107.96 468.49 5200.5 9155.43 5229.98 8233.04 7207.02 7224.34 9544.74 7552.03 6513.94 9775.26 8115.29 [3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate 2946.73 7239.24 3459.25 6737.84 13522.42 29495.21 7562.02 7046.79 21146.99 2255.44 4213.78 5398.1 13942.97 8150.52 15027.72 15230.83 4399.73 11381.85 4708.88 4649.19 14004.16 11706.75 5430.02 2633.61 15927.92 7610.48 5419.36 1120.56 15505.62 3214.9 5875.87 9609.79 7991.22 5657.94 17991.78 11983.45 12131.22 13241.52 2505.98 4902.96 5403.41 27243.97 4690.31 3937.28 12618.18 10354.42 3178.41 1453.97 4176.97 3368.93 3712.25 2913.98 4426.26 6894.59 3847.09 6073.27 2829.07 2271.19 5383.26 4771.94 4661.01 3385.18 7469.7 2825.81 1842.64 15191.03 18229.62 7333.88 6773.93 11566.98 16150.12 5858.18 7139.26 861.13 5666.69 8773.8 7597.82 4644.57 9302.31 7997.21 10309.68 8778.07 7749.97 7911.11 1,2-Didocosanoyl-sn-glycero-3-phosphoserine 15429.43 15637.85 17284.43 17183.33 13938.25 8392.07 3935.65 7455.06 14489.83 10055.09 6594.42 5087.78 5020.78 21961.26 44663.04 31713.46 19980.16 26230.68 20113.77 12368.55 9368.67 13513.64 7977.6 12682.56 7492.64 9443.78 9895.23 11571.33 15899.43 61881.89 20800.93 43571.37 54349.76 11248.91 26042.92 38902.49 13488.23 60195.38 13580.36 56259.69 26440.86 8654.61 23649.62 51545.26 5251.77 16030.87 10899.37 34944.01 18357.62 13535.59 12013.78 9445.66 22965.71 40734.31 12561.91 13135.59 19377.68 20506.5 27854.86 13763.43 27475.66 8149.55 17061.75 42084.06 41301.36 9066.47 9688.9 22965.3 14989.19 13263.43 22239.04 16575.77 16401.95 22705.71 12702.54 14282.04 16707.77 14039.27 15083.82 15297.38 15748.7 16029.51 14767.51 13907.35 (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]-N-ethylhept-5-enamide 1043.21 1869.62 567.1 315.52 3262.47 1295.92 1662.18 585.3 1403.83 923.74 1144.34 808.67 2867.05 574.95 1545.91 1421.71 855.17 2485.56 1878.91 2436.55 1939.67 2113.1 813.53 965.37 2469.19 5057.16 800.64 485.66 1723.71 451.66 1018.21 1298.38 301.63 928.91 303.66 828.91 1589.15 565.38 1043.05 948.27 530.05 908.95 970.34 1306.42 868.87 1814.91 1032.49 1839.42 1026.08 707.18 931.68 979.73 1155.58 1395.6 698.83 1554.02 1561.01 539.95 395.89 1206.36 852.32 295.62 1169.08 1252.63 246.92 990.96 786.45 758.88 657.82 634.34 463.12 763.82 1233.18 1062.25 2947.91 2123.46 2016.98 2667.08 1146.35 1790.7 1674.49 1628.2 2152.97 2289.41 Hexacosanoyl carnitine 18907.59 13797.39 16767.16 31035.72 21251.57 46841.9 36193.69 15953.38 16483.09 17888.77 44948.12 33187.31 39379.19 13773.66 16680.56 27021.62 5696.44 17793.73 28337.54 3544.2 17561.77 17386.99 30754.1 34814.24 9624.62 8280.9 16937.48 28625.36 4683.66 2197.53 3941.45 18094.36 9516.15 22512.78 26392.8 4112.81 13083.36 27802.35 27332.83 21297.75 4435.88 23359.28 22786.26 13989.57 14973.31 31519.69 8860.57 18191.02 17129.02 15768.98 9990.45 10453.67 25329.9 30557.45 14150.93 6542.21 12110.62 17585.09 8988.65 17481.35 13144.73 17215.7 21104.84 24646.83 16663.45 21441.82 16457.95 24580.59 4555.59 13160.97 11602.02 18182.21 27001.86 23161.97 35154.35 19219.05 19772.39 19220.36 18226.47 19229.2 18813.22 19198.59 19139.31 19144.11 Trilinolein 26987.8 20703.14 30738.78 16304.64 14157.67 18844.04 32851.94 16923.46 29665.43 24284.56 8035.73 11974.2 41362.54 3899.07 32699.82 19164.3 9660.74 41145.97 17927.77 4994.92 37749.37 9681.4 15403.92 15097.89 9815.51 29533.52 21167.52 22173.17 26833.14 11160.48 3912.46 26843.01 12447.17 12614.2 29528.48 10953.9 7574.44 16181.89 1317.43 34315.03 32820.65 12056.6 28089.08 17968.32 2512.84 10902.53 25365.84 29416.67 6979.82 72000.94 17526.46 12951.8 20034.19 39606.91 7379.78 27591.48 8200.94 18532.95 20013.03 25517.09 6815.69 9278.66 20848.51 31863.04 27739.27 39000.32 10528.08 26830.27 32937.74 14227.77 23434.97 29375.06 26994.29 28635.66 33371.47 26144.9 17847.6 19202.82 18226.66 21254.07 21024.49 15103.96 15224.64 19555.34 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine 9401.7 5436.19 8209.44 11250.3 14101.22 36148.87 21015.28 6545.93 10843.09 9494.16 6858.3 49240.32 29514.38 24412.69 7644 16501.47 3256.65 5413.95 24440.31 3464.71 8088.39 11190.01 15800.53 12504.71 13434.74 17094.72 17706.55 10976.72 10461.43 9022.92 16144.65 38411.8 7506.47 27283.21 33546.52 15983.08 8599.85 9459.19 18037.85 8311.48 6839.42 12311.39 19234.81 5222.8 16549.82 23774.24 6867.5 12828.71 15317.76 10677.74 11241.36 12997.85 29648.93 20364.74 7922.43 9712.95 12750.08 5847.23 5670.72 8920.39 21765.66 10584.97 6095.02 16349.55 4235.22 26049.02 16052.15 16584.3 9418.41 10359.95 4508.08 10078.74 24896.68 6789.04 17757.7 18246.01 16843.48 18453.54 18256.34 18196.84 17374.32 17955.85 18450.44 18326.82 (E)-S-1-Propenyl thiosulfate 4179.26 531.23 5861.68 15350.92 6269.41 11670.85 14658.8 3772.21 4250.55 997.55 2563.63 4102.9 24494.4 5592.79 404.98 4165.33 7202.01 583.64 8189.37 3859.41 3368.31 11600.41 8306.34 5106.07 2493.31 2103.78 5166.72 2753.43 3361.89 5840.91 3135.09 24228.27 662.23 8841.25 8478.31 670.18 2979.66 2994.57 5842.97 4364.77 9636.08 5737.35 6573.53 6757.53 2295.43 14760.69 3618 2573.82 539.11 6310.65 510.56 2442.27 8462.22 15932.37 13461.67 2169.98 20111.64 17066.71 883.34 8678.62 3718.09 5849.44 4245.87 11132.52 2614.08 3525.62 3973.02 2997.15 3395.2 2257.87 2170.09 8756.68 4225.82 12676.85 12832.31 16231.23 14116.59 15529.24 16066.07 15398.38 16042.31 18344.48 15721.82 16368.01 16415.36 16823.77 15092.54 14046.96 14879.45 14145.36 22805.63 15646.26 16700.59 14427.16 13499.51 18968.16 15367.34 14261.98 13759.14 13820.73 6902.93 6944.23 6824 6908.05 6824.05 6846.14 6904.02 6860.95 6854.49 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 857.82 1195.16 387.91 246.62 4329.06 1672.58 327.36 350.5 274.39 647.92 948 264.33 1637.1 322.24 1398.14 1102.4 762.64 508.27 455.27 750.16 1113.09 420.97 480.59 1095.92 2370.14 708.28 438.14 464.54 536.11 652.98 3611.53 729.89 372.23 520.44 814.12 974.48 2378.23 886.89 444.46 605.36 1981.39 1410.8 605.86 507.77 1910.49 2308.93 1601.29 365.27 299.05 915.84 350.85 1934.52 385.24 1477.01 503.27 592.95 636.15 3766.68 1051.65 579.03 473.96 477.19 1140.69 409.87 295.21 494.25 1588.35 556.94 290.56 380.5 479.92 249.4 403.58 1035.97 819.36 1391.65 1414.73 1182.78 1450.59 1350.89 1243.22 1172.48 1508.27 1640.07 12-Deoxyaklanonic acid 33416.26 25142.41 20316.08 27872.78 37968.78 115631.55 54818.92 40015.19 67185.29 10751.58 17586.54 28027.23 24150.88 15394.15 50246.21 41267.85 7500.69 62991.74 23751.7 133779.17 45453.88 19342.04 23060.37 26769.34 25494.48 36068.92 5577.97 7043.54 30853.77 1537.74 64156.6 9031.53 14160.04 8109.34 2688.88 12695.2 10380.21 19647.49 2534.95 1101.23 23765.6 26836.05 2212.59 860.39 30423.6 7625.29 33640.9 4108.44 4349.26 49805.23 12563.12 17232.89 1059.91 4888.19 8600.76 12866.23 2773.06 2855.73 9494.56 11175.97 4052.53 1213.82 11133.8 6960.74 3833.34 12539.46 28395.52 4815.6 4724.99 17917.58 27532.42 9947.86 3152.27 1109.91 26569.31 19373.43 18645.56 18642.13 18186.94 18633.72 18191.9 18344.35 17452.96 18633.33 Thermozeaxanthin-15 4530.64 4014.49 6990.5 3668.35 2050.42 9368.5 492.5 1711.6 7431.19 452.23 4064.93 4738.74 7329.52 1031.7 6107.46 8847.17 1072.92 7291.59 12036.14 5441.01 10450.91 6217.82 8835.82 6027.35 6448.74 1840.2 2131.17 7520.49 2840.85 2236.1 8698.82 18309.35 5971.61 11114.62 1201.01 10073.37 1839.47 10864.42 16682.79 565.64 6411.94 7851.39 846.22 951.04 3225.2 4439.3 5175.73 1475.26 7644.72 5290.47 5743.89 4379.07 7769.62 6611.44 8758.28 3586.5 7416.2 5283.27 6634.95 3176.9 3015.54 8374.02 4270.85 4099.12 3488.24 8664.94 11578.45 2265.79 1877.19 15523.61 570.88 7359.41 4569.58 485.73 4040.17 16231.3 13364.16 13043.27 12170.41 11270.38 8572.99 13350.43 10437.18 8211.42 4-Nitro-3-(trifluoromethyl)aniline 2508.15 6636.71 3299.79 8254 4176.38 6947.05 565.13 4812.76 13168.35 6074.82 4750.94 7633.56 4106.22 3176.94 5457.88 5843.26 3728.91 4053.29 7354.51 6732.57 10951.3 11563.28 3991.08 7413.02 6318.84 7889.86 1770.73 4425.37 8929.21 3518.21 3977.36 2001.79 3592.31 466.85 1484.32 9578.59 2522.02 3504.98 2525.3 1127.13 5832.82 3218.16 2875.3 1427.31 6709.99 1487.31 5473.92 5178.6 5341.63 4036.19 4699.02 2316.01 3997.26 3496.75 2390.27 4066.36 1010.15 5960.14 3317.12 2936.74 1567.25 2920.23 2302.68 2564.48 4728.27 3041.76 5116.91 3160.92 2886.94 5627.44 6255.06 5136.07 2586.15 2646.17 467.34 3878.34 4315.3 4217.87 4347.46 4387.06 4558.72 3522.91 4482.51 4481.76 Avermectin B2b monosaccharide 6000.33 4744.39 8883.08 4609.38 2791.38 19989.37 1703.43 8409.02 20935.08 15586.71 4649.78 29092.47 11131.67 11410.76 7597.52 11037.8 3850.33 9038.99 30675.53 8999.51 17212.66 5313.4 10750.36 9522.72 19935.4 25731.33 6120.67 9665.17 14046.21 3934.84 7180.94 36057.14 17345.35 1245.12 6487.5 18662.32 11857.62 16863.8 12704.95 17186.78 23594.7 7720.89 21726.81 14857.06 20472.19 7644.93 17221.25 13586.99 3318.12 19663.12 7879.54 7113.85 5920.04 30539.31 18385.69 18468.2 746.75 1308.75 10299.78 3922.52 9789.5 16271.25 15256.72 9324.06 33891.36 14858.41 7404.81 13819.29 14085.83 9322.43 20243.99 9829.39 5145.72 8453.81 495.23 12623.4 10497.72 14948.66 13386.82 15097.2 15678.94 15346.51 13805.17 13773.75 N-phenylbiphenyl-4-carboxamide 32967.59 2276.78 907.76 1986.27 18422.01 3585 1712.31 31878.66 9654.85 1066.79 1162.36 4854.52 1161.5 616.66 16607.51 6428.55 1459.43 6963.87 693.16 9875.28 29345 2690.75 1548.69 1853.37 3472.33 11059.3 1035.76 617.33 9609.8 4442.22 6910.17 1315.48 6809.75 1174.92 1819.46 14857.99 15424.11 1151.64 555.47 576.43 3824.93 4009.77 1155.46 1187.41 17564.4 4601.81 10440.46 820.26 477.25 4925.8 18006.47 687.13 1286.62 2335.17 10571.58 3526.62 300.72 340.28 23574.26 479.68 1076.1 421.38 4749.55 743.89 4818.89 13412.9 12068.3 2623.03 8559.24 16215.58 13479.1 3475.05 1320.86 828.5 1222.32 5779.46 5810.24 6413.06 7189.25 5787.91 5899.02 6404.17 6346.47 5103.6 Hydroxychlorobactene glucoside 130218.52 291920.5 124511.6 163368.12 277253.8 152454.47 89816.14 144800.62 203692.56 61021.36 139506.4 379440.86 358711.49 308986.89 337553.8 405996.64 164952.29 601618.24 497014.17 719984.14 239340.55 75069.21 25622.19 239034.37 171381.2 172669.33 78179.85 80696.06 322338.39 183972.7 1108166.86 974751.81 80353.56 62268.49 117245.81 190103.25 87282.16 52185.68 18023.09 115452.52 530522.74 387621.81 156195.58 111955.6 412202.44 100923.98 283008.31 291168.41 94467.49 1579385.6 14689.24 195699.51 132465.02 325873.14 210717.26 357657.08 115901.62 126258.85 95852.26 108660.7 96142.01 7593.38 201253.84 133292.7 161738.33 333992.93 671555.96 101053.89 223418.56 164925.08 111420.5 120702.15 119746.28 293829.22 167466.34 249109.38 251652.14 250861.53 245524.24 246564.75 247364.88 249140.97 247389.93 247402.03 5-Bromo-3-(2,4-dibromo-6-hydroxyphenoxy)benzene-1,2-diol 2991.81 2255.75 1936.59 1617.03 3125.52 5618.72 2375.48 2099.68 2291.19 2061.24 1729.59 1240.76 1023.74 1434.11 1942.73 1340.84 717.85 1930.68 786.23 774.49 630.8 1102.31 2275.02 2320.11 597.55 1366.15 620.62 1113.84 1988.33 2134.15 2589.93 979.36 2878.67 1570.55 1875.07 1109.71 1622.1 2569.01 2794.95 1914.33 2772.87 3562.76 2353.2 2198.04 2163.14 1514.29 1161.8 2950.31 1511.72 5954.94 2686.26 2865.51 1637.08 2125.99 1797.36 2536.14 2525.06 1140.12 1878.35 2515.72 2313.7 2573.72 1766.27 2610.8 2067.39 2834.57 1481 2741.37 2344.34 2385 2099.64 2103.93 2398.59 1751.37 2217.46 2028.05 1880.5 2210.14 1998.11 1930.68 1915.89 2003.14 1805.91 1938.41 All-trans-decaprenyl diphosphate(3-) 5059 12210.31 7109.95 10697.91 8244.47 12716.82 11474.8 8169.67 6825.98 20731.53 2626.14 4424.67 8077.74 7826.13 6217.19 5012.16 4825.62 3597.75 8425.15 3835.14 2052.11 3283.35 7762.24 5003.44 21533.24 19666.44 12294.08 12792.17 6093.42 8294.04 3903.64 6917.74 15987.57 8450.15 11277.5 7379.18 14887.73 37807.5 37649.27 11885.44 5378.39 26345.88 26231.09 16276 2239.16 24071.4 7249.96 7431.19 24634.67 3459.11 12670.92 4423.51 10940.82 5575.8 17004.08 6967.93 10147.8 7555.68 19013.93 10457.79 12734.71 11455.03 8414.07 16055.03 5909.22 7762.86 6734.11 4753.6 14035.85 5817.19 6188.14 31655.87 10338 21589.87 30869.38 9295.3 11214.18 9488.01 11385.91 10038 11826.85 11958.72 10735.29 11498.07 Peniciside 38321.99 80979.65 36518.19 31652.98 62913.81 5404.73 52683.07 48576.75 50021.47 33189.74 40753.28 68664.15 60011.89 79153.63 48718.07 115802.77 37469.46 95796.51 76509.74 91650.77 45869.17 18023.89 28261.67 53591.7 33560.63 72038.91 21603.58 35013.85 35643.38 56896.54 128984.49 133237.65 7571.83 46064.56 28232.84 38702.88 13647.75 24566.82 3046.16 29054.26 76314.72 74954.68 50643.75 52432 41455.76 34772.9 56014.91 46465.66 3455.92 117782.74 16495.76 48887.98 47521.09 54960.37 66278.37 77671.92 58698.67 46879.43 11254.39 28731.41 30819.5 8519.01 25056.38 35405.92 37188.1 64381.35 52767.45 19809.44 72966.18 37019.84 28273.01 38865.93 43623.64 48729.37 65383.45 58792.54 58950.12 58754 56712.72 56617.45 58256.54 58790.52 57922.4 49892.84 Docosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphonooxy)ethyl ester, (R)- 21599.34 18252.31 5166.11 11357.71 21101.12 23356.1 15386.45 6759.38 24062.52 8587.67 18090.63 6417.86 4695.19 3158.56 8338.01 9072.18 1941.69 7111.48 3754.25 9536.42 6804.01 6683.48 2427.92 14340.28 10388.63 11838.5 11540.15 14785.13 22055.74 9095.96 7503.73 26488.79 19900.1 10991.55 9538.08 10316.05 11167.03 8366.13 13067.13 6633.91 3360.54 23159.43 3566.19 5453.05 4468.58 21236.62 8821.67 12565.05 2303.75 23871.7 978.93 11222.37 851.53 2824.19 9086.12 10842.51 2330.67 5443.89 16173.27 1879.67 5887.68 3705.11 14558.41 20367.52 23010.88 11023.78 27998.02 2260.73 5919.27 7883.69 45333.6 2993.11 23991.56 6135.14 1125.44 12740.54 12667.44 12773.13 13634.19 10745.16 14802.78 12809.34 13685.88 13533.35 PS(22:0/22:4(7Z,10Z,13Z,16Z)) 5986.31 4448.05 11404.36 2079.57 979.19 6521.11 15050.79 15918.77 6792.91 11689.41 7028.51 3062.86 26898.56 16394.1 9854.57 8842.3 8455.58 23279.11 24189.08 14595.69 15165.74 6147.27 20865.89 17094.73 28488.9 8008.45 20033.99 8847.05 4500.97 26565.15 10928.02 12622.2 4818.81 10681.2 21143.7 49087.38 14660.06 35408.58 18783.28 19157.86 20318.06 22288.35 47085.25 5784.67 14650.48 14593.45 5535.65 15905.36 15299.74 19641.32 17332.77 11376.61 49206.25 3322.99 13679.39 5222.57 8767.1 21510.3 7588.11 4241.34 13792.39 13771.87 8696.43 15047.56 30368.52 9792.75 22065.33 16766.28 30944.82 28776.28 10327.55 19865.64 7940.73 5481.3 18609.18 15399.5 15232.29 16122.64 17430 16339.85 14354.47 13617.44 8767.68 16584.85 Benzquinamide 30820.1 62147.3 4179.34 23102.37 51928.62 8743.08 45472.23 18531.89 9620.44 121165.75 4499.27 49209.04 58784.09 48898.6 64678.98 17743.13 1606719.07 128786.23 63189.81 91527.4 29807.78 12660.01 4499.29 23556.56 17020.04 13174.73 25462.75 17915.7 28266.68 47095.07 122763.2 117664.99 148163.82 274.91 2147.24 52632.52 18423.63 166291.63 1185.16 10389.14 195452.15 76108.3 30297.29 18479.03 126180.76 13461.68 53350.2 36462.36 7829.84 115830.49 86077.76 37693.16 49752.98 36844.58 116451.01 89293.22 8274.46 34478.63 9469.3 20962.62 10978.47 7637.3 48365.2 4769.36 24410.66 90342.81 129372.63 19124.37 66215.28 13239.93 7037.67 23565.14 5545.24 55477.43 16812.36 53991.69 59733.35 31595.19 50569.42 48077.49 47111.95 54685.99 56970.54 61316.94 Tyr-Tyr-Arg 6546 794.68 5244.37 846.29 10462.77 6306.98 4236.42 1195.6 4746.75 3600.81 452.03 2323.12 20142.57 2359.25 4558.66 6635.21 1716.37 4695.9 9593.24 5050.06 6311.59 2293.24 3460.68 3380.27 9860.6 8198.19 4300.61 3448.33 4102.29 1138.99 13874.85 12095.76 3369.96 4774.34 1649.76 8199.4 4718.72 6359.41 1678.1 2318.24 4647.52 4244.49 3739.18 3113.56 14294.43 7788.12 3488.86 7124.26 8354.98 5049.59 6352.02 556.52 924.43 4602.37 2431.71 3331.17 1556.18 1673.55 4360.65 3687.81 2397.32 4340.94 2667.8 2514.97 3556.23 3593.91 13637.34 344.06 2179.39 7807.64 7609.1 2819.53 8973.31 1812.13 4168.66 7640.43 6907.06 7836.74 7748.4 6490.58 4944.38 6993.75 7688.51 9869.34 1-Eicosanoyl-2-tetradecanoyl-glycero-3-phosphoserine 22472.7 8645.5 28959.33 21549.9 43656.88 135495.27 52393.49 50998.81 38344.82 91587.05 118359.81 80176.06 81396.05 21145.94 24182.79 104406.33 11710.91 41872.85 56200.24 89616.36 23738.83 55687.62 58828.7 62608.25 13031.39 54334.23 169905.79 72928.05 59500.6 26822.99 41384.39 141590.65 32085.18 67716.46 64309.75 65648.49 16737.22 80894.71 73114.61 52237.83 14377.11 36258.45 61052.22 44436.01 59550.67 27229.65 39368.21 76296.3 184393.82 113364.68 73396.37 53379.41 57919.69 70573.43 36890.85 46283.53 46215.32 9309.05 23909.83 27828.57 55047.65 43075.56 28558.79 64539.52 38673.42 36388.02 48349.07 34536.08 49480.84 54112.13 26247.56 104680.61 57520.03 32503.57 95882.26 64023.63 64380.29 63294.17 66720.32 70714.01 64152.95 67461.9 70459.62 63539.46 Bisacutifolone C 390224.09 312385.2 287235.24 294848.35 395963.94 57325.8 293927.83 360210.72 454504.22 348797.92 368652.87 438294.48 574393.96 350483.4 122299.18 391433.71 177471.79 41932.48 626384.12 518065.57 349804.92 268235.44 431023.27 377673.77 69920.17 404591.25 265630.94 520004 192522.18 56178.31 267793.4 474912.76 344622.39 374662.65 29944.85 119182.31 62167.64 274641.07 17575.86 349092.63 133444.29 109105.55 335776.32 233774.4 392025.04 14346.34 319237.75 463787.68 469929.42 66923.81 418623.79 62113.27 21822.77 481401.02 122357.79 322266.14 264392.91 347769.07 84418.87 259148.29 226292.56 267077.16 366656.44 417852.53 404718.14 121531.15 115522.06 483026.5 289479.85 217175.41 60322.28 95508.59 278677.22 422180.97 380672.69 379596.23 379474.69 374379.06 379599.07 377695.5 372855.66 379314.12 388493.75 374480.23 Asn-Glu-Lys 2626.18 15927.87 9212.05 20296.19 16993.58 21908.57 95200.23 13889.13 5172.91 13260.78 1775.33 72124.02 20754.01 31270.46 1868.69 30826.58 19936.97 30902.19 16681.47 48473.84 5514.67 14778.67 14511.9 25582.73 10676.89 17682.15 19520.41 11157.28 15500.67 30129.2 11859.46 9149.11 3525.72 29567.78 12787.51 22307.3 2571.91 13238.95 3420.78 13137.06 7128.12 11853.24 16441.46 1042.71 14758.18 12368.31 5262.35 32229.78 5983.66 52709.15 2860.07 7661.07 20067.81 7965.27 32792.18 21423.18 32380.6 21444.82 2189.85 17958.66 15038.05 16002.72 26862.38 16409.5 30047.58 15399.35 16649.4 3781.59 26195.48 8410.71 11088.41 11271.75 18971.94 16172.46 17577.4 17334.41 7379.41 19530.94 18475.39 18123.72 16976.11 20623.96 19085.09 17788.02 PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) 5366.31 2990.91 5317.95 3693.87 7353.89 5884.77 3146.18 8439.84 16194.72 5042.4 4695.74 10914.82 8507.94 2481.15 5195.37 4601.66 1510.89 10592.1 2686.62 11226.15 4052.24 4297.54 5216.57 3238.34 13445.79 13433.8 2196.93 3954.33 1839.96 7439.03 12020.26 7942.95 5761.22 3095.46 3969.73 5393.55 9168.95 7636.47 4551.45 4962.57 6152.94 8791.41 7536.58 2693.76 7737.81 6362.21 7902.66 9275.9 3901.55 11516.82 6240.64 5630.26 3280.51 2703.24 3009.57 7549.9 4624.75 3051.49 8543.25 5724.18 8109.33 2665.74 10145.95 5261.26 8458.13 12556.15 6962.94 1496.72 3867.49 11814.95 6608.17 5055.29 7110.31 1646.21 3457.21 9214.01 8742.06 7843.72 5415.77 7087.15 8746.01 10604.99 6889.46 7192.21 1-Docosanoyl-2-eicosanoyl-glycero-3-phosphoserine 8111.82 7375.9 16436.25 11805.23 6882.52 21962.38 3859.2 12419.77 5851.82 11551.11 18655.26 4416.88 5975.81 7484.69 12218.7 20562.43 19305.31 13302.21 23134.6 12271.41 24678.44 8424.74 6153.68 7593.11 35819.83 24048.44 6997.67 20758.33 20534.82 26233.25 8649.93 16703.68 17368.51 8428.13 21283.94 12168.7 42283.09 20365.35 18758.82 36079.75 15226.95 1151.73 22773.7 16036.06 17098.17 25391.81 11900.22 15239.54 4245.56 10326.56 10287.69 20325.31 17720.89 12388.36 14558.39 13711.91 22688.29 18043.49 21210.3 11501.63 11635.04 13582.43 10494.67 10056.28 8490.83 11644.09 18868.85 8587.5 4419.89 7915.22 11972.13 17368.71 9620.6 19724.88 22479.51 15098.1 15271.34 19610.92 15422.12 16837.59 17301.79 16979.86 16196.71 17291.03 [(2S,4R,5R,5aS,6S,8S,9aR,10aS)-6-acetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate 11341.54 6451.08 5381.52 3919.61 20782.24 18120.85 3598.08 5121.73 5859.68 37497.95 4582.39 4783.36 9843.57 6539.54 9223.73 11654.33 4516.75 2454.78 3586 14980.58 8338.37 11175.49 3962.63 2894.99 9985.28 17743 11952.53 5673.91 16574.36 8042.98 12626.45 39222.43 8239.06 15952.04 8197.47 8339.23 6336.33 16626.01 5381.46 4573.74 13825.45 26507.81 6454.23 3610.51 20182.48 7811.48 13678.54 12029.19 8197.72 24942.36 14446.09 5409.78 20392.37 8207.58 9821.24 5411.38 12107.11 4533.16 11564.99 7601.11 19394.94 25651.13 8770.24 13967.89 2548.14 4073.07 3871.33 20666.36 2913.75 15514.29 5234.35 8954.44 6095.22 4780.74 8014.41 11661.84 11621.6 11130.09 7148.05 6420.09 13175.34 11829.06 10628.41 11691.55 PS(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) 9539.95 5647.8 32677.82 25395.1 64984.91 27106.09 7048.41 7000.24 10551.9 6324.55 24739.63 14479.07 8622.19 11837.34 7581.99 16186.96 14491.9 7990.7 20941.59 11498.93 51474.58 10735.67 15498.41 13363.09 58411.19 13687.48 22997.08 32491.74 9912.89 26626.98 2521.7 8619.85 5494.06 44560.32 12025.49 17780.06 24289.25 14937.29 11917.08 26757.38 10557.58 4594.97 5322.4 13925.26 7130.95 7469.44 7897.49 5976.56 9300.19 1714.69 7216.32 13148.78 18099.08 16749.75 26639.36 3482.38 5028.55 8205.77 11081.66 5733.49 20010.92 11022.92 18784.26 26414.69 8121.79 17319.42 14138.19 21213.85 12241.77 35687.73 6886.32 22897.03 10296.83 18960.76 29971.84 13326.93 15747.21 15352.91 5239.22 13911.49 15308.74 13478.95 17191.39 14352.35 3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate 5253.58 6416.27 1343.76 3658.19 7355.78 10182.22 5390.16 2183.05 751.88 1962 4008.64 3326.55 4471.45 2266.57 6163.27 5136.27 4964.39 4838.13 4853.92 3658.84 79646.12 1350.88 1563.51 1448.61 2714.78 4946.23 2429.49 2418.73 4366.22 842.93 981.41 1767.66 2591.07 716.25 926.2 1719.26 1251.5 3168.19 1078.07 655.62 865.58 6842.65 2266.01 1005.04 2151.11 1165.57 1766.85 1187.14 2481.46 8246.55 4109.6 2211.41 2479.47 5978.3 1505.46 5190.73 686.72 629.84 5164.4 1906.2 2276.91 1818.68 4170.24 992.34 1575.97 3807.56 1210.84 1380.09 1374.72 1070.49 4021.22 1829.3 2073.78 2730.99 2161.22 1988 1842.35 2017.63 1994.16 2092.1 2023.86 1912.14 1887.08 1201.33 1,2-Dierucoyl-sn-glycero-3-phosphocholine 33173.48 12847.62 8240.63 16704.45 7495.35 5169.25 2845.12 7495.96 7054.38 18873.81 5492.5 7842.7 5521.52 18443.7 5091.45 12499.25 16704.73 14007.79 9759.57 3161.27 5511.17 14664.31 8788.49 6707.84 7395.92 30930.59 6359.14 11681.7 17789.83 37249.6 9162.72 21779.02 47268.66 21298.64 30246.76 14148.34 15174.34 26637.48 15242.69 35545.65 38834.45 9520.33 16846.75 39249.16 20408.04 7918.54 7530.54 30809.24 17968.21 5357.92 17455.04 41451.08 14518.35 25390 7275.09 27499.9 43556.65 10489.46 41128.32 37390.27 15065.6 23823.4 10057.45 45142.97 12800.25 7157.37 9999.46 11794.02 9948.56 12477.21 39534.11 12461.53 14579 14843.84 11298.73 12374.85 13666.73 12975.26 13030.9 12393.9 14199.19 13384.99 12114.11 6182.69 1-(1Z-hexadecenyl)-2-docosanoyl-glycero-3-phosphocholine 5990.85 6696.32 819.89 2780.98 14062.57 36718.93 5214.47 1513.55 690.61 1986.44 3567.65 3642.77 3292 1335.83 8057.01 5869.43 3480.92 6049.99 5202.76 3201.59 476.76 730.96 1071.21 967.25 4192.6 6488.24 1222.55 599.67 6440.19 51212.92 699.16 690.86 6074.91 614.27 852.38 1263.2 1364.79 12292.69 1163.92 2157.48 983.75 15252.94 2482.29 847.12 4721.93 1323 2462.75 598.5 5050.31 32051.36 6632 7944.9 3211.74 9772.45 4929.34 9003.39 54313.57 42183.62 5604.13 3718.69 3151.16 478.02 4398.01 586.77 2138.78 7661.8 796.08 741.08 1067.27 1289.07 5702.05 619.13 3555.24 3560.33 1292.86 2508.65 3560.67 3559.34 3723.08 3582.78 3722.84 3720.21 3716.33 3748.06 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 30075.15 27243.46 26642.59 16573.19 48019.22 4850.02 9627.51 8594.98 17102.01 15842.34 10500.56 13576.71 34356.53 967.18 44477.43 42974.78 9584.64 28053.39 59379.89 46268.6 17997.41 10714.7 37160.71 14330.54 30514.82 40897.26 21312.82 26931.32 19782.13 22744.23 35191.6 20043.76 4544.96 10999.99 24005.49 30227.15 13788.24 1341.64 3281.44 14997.37 13792.75 39050.76 12869 6457.49 20313.79 16822.81 7988.28 19420.27 9417.44 40039.84 20414.67 18098.06 5253.67 19336.23 6730.59 42460.74 21216.12 9831.75 5796.95 11443.12 25698.02 7045.4 9676.19 27605.52 12413.85 52491.47 24399.23 32100.72 18560.27 61350.86 17400.1 11481.16 3345.01 18179.29 5989.73 19213.16 17956.48 19300.98 17881.01 19066.8 19631.49 17872.4 18148.32 17882.87 Arg-Lys-Arg-Ser-Arg-Lys-Glu 3540.01 1291.85 1421.8 2426.41 4418.27 8853.46 317.2 1566.39 2417.9 1256.2 3297.89 4619.98 1215.58 10141.79 7449.68 2625.85 3405.87 3958.11 9889.76 5820.31 7328.13 1119.14 2307.52 4790.37 3041.32 268.92 1608.43 1934.6 3685.51 697.35 6870 9116.29 2175.45 1673.43 2836.15 2336.26 5875.21 1344.16 2475.89 2716.75 5095.99 4405.01 1086.34 2048.17 6419.6 1744.86 4186.6 6442.05 2093.86 6846.54 2078.28 2914.7 2652.44 3187.06 2911.11 8096.22 3677.07 675.49 2923.64 1747.14 3444.56 3563.27 1263.29 2639.72 4186.46 7880.38 555.86 3548.16 2449.16 5406.41 3625.54 7191.2 5271.45 774.67 1037.6 5564.11 6118.85 7435.54 4734.76 6822.65 7776.81 9049.33 7383.76 8385.41 1-Docosanoyl-2-octadecanoyl-glycero-3-phosphoserine 2402.16 5822.48 9567.09 4011.31 4475.65 4953.27 6025.23 5612.13 8087.79 3235.85 3254.69 5253.05 6997.64 524.99 8125.26 4738.79 4077.41 2103.15 9220.66 2234.33 4388.26 1589.33 10168.31 7692.28 6029.23 1122.57 3070.52 10678.08 4388.7 15024.35 4774.19 7185.57 5840.95 7993.23 7551.63 3569.48 4507.46 1716.46 4886.84 1918.32 3603.66 4172.64 15394.71 13575.13 2472.25 1746.57 7170.77 7131.72 1160.88 1426.79 7223.02 1856.82 6312.88 4792.43 1520.31 5059.27 7189.24 5066.27 20897.89 7266.68 12608.55 7672.47 9456.73 10109.3 5871.57 2321.7 6505.35 3365.01 5110.77 13092.17 3320.02 8451.54 15531.79 3238.34 8640.88 7513.7 6780.53 4784.57 6131.34 7573.93 7744.15 4969.62 6582.77 8866.33 PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4355.14 618.44 4456.47 5028.73 3767.52 19495.13 5066.46 7242.34 13426.35 6770.43 18464.42 10064.8 10657.23 2351.07 10368.85 1924.94 7457.46 9377.36 11683.41 21474.96 4559.84 2621.63 13071.11 9774.86 11714.81 23071.76 6374.19 2464.05 1451.62 5395.65 751.24 12091.96 9405.23 569.09 7260.14 12194.39 12085.56 13739.71 4070.54 2391.58 8591.06 22585.72 1454.45 4557.83 8544.61 872.81 4966.07 9577.7 3253.21 18590.58 3944.93 2996.09 533.87 5581.71 2791.33 2527.24 751.84 3042.07 6070.64 3182.72 8022.93 21135.78 2545.51 16523.91 4240.94 3815.39 11892.38 11100.95 4781.18 25527.52 2572.48 3637.01 4996.3 7413.96 17657.04 6366.78 6642.87 6271.55 7854.32 6714.3 5873.65 4525.85 6198.21 6682.36 N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine 21310.34 7702.54 7953.26 7361.6 25123.09 115413.02 18525.62 41014.57 54534.26 17072.22 13010.69 19218.01 8196.08 5098.76 35254.38 17296.06 9388.11 6955.83 15642.4 6585.19 48465.95 55200.65 10337.89 24429.49 83671.36 48747.94 4148.65 13102.32 14519.91 2265.12 4663.57 2722.26 20306.18 2200.09 6665.54 8920.19 27986.4 15073.63 4310.62 17843.05 19140.64 34503.9 7656.37 9462.34 152669.8 4717.93 18806.77 15394.81 12046.1 15692.45 22356.74 32897.05 5750.31 48072.85 19284.58 30322.77 8963.83 6284.55 28414.91 16098.05 5335.72 7754.02 14203.65 3629.19 4460.08 25907.32 26418.1 12787.27 3813.14 47234.14 11530.44 9720.4 7317.11 4492.5 7248.25 14175.75 16157.4 16690.3 6394.85 15011.28 14880.72 20083.22 15041.56 16957.07 Arginylasparagine 11861.99 12183.7 33787.09 55674.11 36666.9 62760.83 5400.97 34797.24 16612.57 42522.75 17661.05 19274.3 34641.66 16159.16 21708.51 29043.75 29450.77 19686.29 31771 32497.72 48517.42 21372.7 24813.34 16372.37 40030.21 12693.59 30075.57 27482.92 62374.84 13586.06 57335.61 40056.01 42759.66 30279.36 44213.52 28110.74 37846.52 67981.36 26254.07 18855.23 54791.14 46520.07 32773.6 20677.57 39771.61 25761.2 46189.73 33380.31 34173.5 59468.21 43461.66 33161.56 27519.99 20834.86 40151.91 24290.73 24360.02 29255.73 38252.57 41730.79 15072.19 14367.97 25878.39 58272.05 43353.03 27195.72 47682.62 27104.25 18309.13 42317.85 43694.73 20164.63 29461.11 53715.02 40946.23 36998 37412.91 37393.82 40122.6 39767.89 40829.33 39682.11 36683.54 29870.29 L-Tyrosyl-L-Threonine 301174.05 285854.43 305666.56 299571.18 326493.5 288620.08 300092.65 352009.56 325379.73 390787.55 385324.61 214516.55 242461.84 219242.53 345530.16 279058.03 345104.27 361424.72 208950.38 244697.18 308616.77 157442.31 326959.19 244785.25 370973.91 359678.99 332759.46 284760.19 271347.66 187891.53 192309.63 127396.32 268895.33 201183.2 231606.3 203211.57 263978.6 245062.43 186973.74 233316.65 221820.94 199470.62 220161.22 176618.75 216741.61 202062.83 253768.03 207726.13 270872.64 157324.84 246900.78 213682.02 225489.41 249621.42 247842.71 174224.54 339582.52 284475.04 326050.53 254656.84 178207.53 193585.62 254797.9 302333.18 286684.39 239723.87 267227.75 224381.48 224418.31 270431.84 287979.69 188057.87 268997.63 289150.78 242588.97 20297.38 25674.67 19279.85 16110.01 9351.17 23688.14 22202.68 19327.85 26698.8 26549.65 23858.14 27042.82 19646.66 16007.87 21113.32 19799.74 22135.42 23347.59 13151.91 30737.83 38881.9 40471.61 34994.04 53013.71 39937.14 280417.04 286876.77 280598.83 277140.15 274280.36 279248.71 276950.73 277403.64 280178.39 (14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol 348.26 2755.94 5540.63 390.7 613.5 240.92 704.55 514.1 54404.48 2567.27 6014.19 2486.17 1013.92 426.88 3796.64 994.62 564.77 4798 595.58 3874.34 285.13 728.96 360.67 327.49 3238.43 261.49 562.46 3095.12 1866.11 1736.17 1114.21 669.61 255.91 7127.05 7381.9 535.08 4631.59 310.69 3744.65 228240.94 1339.27 222.88 1462.08 3268.97 498.64 6607.37 2455.73 275.02 2673.21 418.36 2317.67 3280.18 11543.08 15894.29 542.13 2922.85 6744.59 10431.63 2912.44 3684.42 3496 257.73 4921.6 18402.64 204.11 3655.76 213.6 412.67 2728.67 260.52 2460.3 235.6 230.06 17531.11 288.35 5992.24 6140.02 6257.21 6155.37 6287.57 5939.09 6258.8 5125.47 6572.45 Ser-Ile-Asn-Lys 2034.87 5572.83 8475.45 5419.42 1535.39 3097.6 3014.71 4699.65 481.06 1011.77 728.53 712 702.49 2454.42 6009.01 4470.07 9792.57 9032.34 769.28 2941.45 493.78 2887.46 2159.38 1027.55 805.49 2725.49 736.83 1410.64 847.03 3284.33 453.98 2429.28 528.81 2442.79 1233.32 2421.7 436.19 1966.3 2144.07 951.07 3420.78 2984.62 3091.34 1022.44 1809.23 2423.11 1527.29 2897.6 2353.73 2036.41 2591.14 1814.85 1585.87 3120.11 2894.99 9190.99 19340.67 5639.74 1131.04 1116.17 3928.77 1057.15 7241.82 6679.88 3695.94 2323.67 2544.6 763.54 2930.28 1099.67 1449.29 2834.32 1202.61 8687.01 7158.26 2739.54 3023.36 3024.06 2948.42 2952.17 3036.74 2969.39 3060.95 3021.7 Thr-Asn-Ile-Asp 1221.27 4298.33 5288.08 7086.28 7375.63 1907.81 8883.76 1499.62 1111.33 2568.38 2084.82 40055.88 1501.48 493.17 3131.95 4267.47 9677.61 9895.55 1468.55 7294.92 1049.52 32943.13 392.51 821.79 640.96 2835.72 953.38 424.9 972.4 1398.84 733.67 442.12 992.46 527.32 497.2 893.95 564.79 1201.76 2602.99 869.82 1226.18 823.54 436.8 825.14 565.57 1252.02 1189.03 3342.06 1008.79 998.67 427.81 715.89 488.69 686.62 813.45 6256.31 10241.92 3475.78 987.19 4061.77 757.25 2500.34 829.55 464.4 2691.91 1436.73 488.32 1740.48 1308.16 1984.54 889.16 683.31 992.73 6274.12 5733.39 1985.83 1875.99 1880.94 1886.66 1980.95 2211.77 1941.43 1982.11 1352.63 Ala-Val-Lys-Arg 584488.36 276421.24 58921.48 283774.43 461027.4 235192.77 176398.41 136117.52 150844.44 140407.98 460977.71 440190.52 680689.65 401306.86 185036.89 444387.65 162698.65 206638.73 511979.43 77360.69 201952.81 23445.98 181129.34 344256.08 368051.32 106419.61 130901.89 610464.08 347929.88 383090.66 330156.7 345188.96 121906.17 225045.75 195132.04 459430 194451.94 91207.24 370227.36 336630.4 375525.61 918091.03 160340.91 137056.76 162790.12 645456.68 136519.8 144229.96 263036.37 782765.44 1313257.09 258180.74 263124.54 355265.76 722250.18 123228.19 153360.34 55262.8 389767.15 214365.51 166697.15 216815.52 346730.08 317632.97 161980.35 743854.55 214241.65 138344.05 377086.5 572467.87 77542.11 50866.16 478378.98 147997.43 208629.89 2223.07 2061.18 2421.69 6091.36 3852.28 1549.94 2294.82 3527.59 3175.81 2237.05 1790.25 7242.54 1219.75 7560.84 4936.94 3174.22 3844.05 4689.66 3973.89 3586.8 3426.23 9213.58 7684.77 5518.95 3602.51 322526.13 340330.19 351112.86 336658.62 351832.1 333557.83 323622.16 326349.99 348950.01 Lys-Nap-OH 3886.16 4443.59 368.3 3234.98 35674 2693.08 3769.42 24948.68 28098.12 1814.35 1189.34 6611.97 15208.11 2524.94 2948.46 6579.41 1377.23 2588.72 7260.05 846.85 12187.61 542.58 1951.99 2342.61 34964.46 27674.99 2359.49 691.44 1693.14 525.53 1165.13 1839.32 1010.98 2274.31 2453.18 2307.45 3125.49 314.57 3433.95 1407.22 2226.75 3020.87 1319.35 1310.82 2530.1 14785.26 4867.82 3874.64 2938.26 16383.03 3591.22 2609.05 3287.62 12500.14 3103.56 2299.68 1529.88 1156.91 993.79 3525.42 1722.07 2010.51 1645.08 3494.8 1120.22 6962.52 13051.13 1369.61 1471.77 15092.95 997.95 929.27 3184.29 1914.18 9319.21 5088.46 4620.38 4674.74 3963.02 4275.62 4698.68 4338.6 4498.08 4352.67 (2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 79514.35 15209.8 14224.72 8788.41 90489.07 87031.28 23997.55 82857.16 77185.32 20820.99 18798.15 99192.47 9034.11 12092.59 45784.33 33161.66 23258.54 66317.44 17030.29 77876.11 66257.96 58212.37 63579.5 23604.03 107721.7 95951.06 28448.28 42044.92 104673.28 55440.56 68498.25 278129.79 47350.57 118497.15 6836.37 144968.5 68068.49 162493.58 10155.69 11560.64 106833.42 168755.81 6823.31 14439.06 82631.82 6518.17 86172.59 55815.89 135235.45 19177.57 132106.46 33356.38 4616.02 10416.66 170321.56 38903.21 2004.26 3245.31 115454.64 32760.45 12560.86 5250.49 70129.81 20837.4 13382.77 95952.49 15437.49 7684.83 18740.99 78107.94 77550.42 11962.51 11959.8 20157.09 12593.08 92779.22 89038.87 86495.88 87298.89 79230.45 80692.26 80769.19 87081.42 86633.61 HoPhe-Abu-OH 29691.93 12576.74 13847.81 17583.09 10435.18 10985.26 8153.37 35501.9 35252.29 27873.23 87640.81 90135.01 48141.94 54546.9 25141.29 61478.38 19543.55 31720.53 42528.58 9617.61 11699.18 1610.68 1086.91 53751.81 34696.34 6930.75 39269.11 46370.03 23479.95 12110.17 28354.12 62210.21 2041.55 10639.91 6119.38 16581.18 22268.78 8210.58 27623.67 3645.51 39475.03 32400.59 2639.44 20863.99 28666.08 14984.67 25644.65 44449.07 32068.49 49868.15 15481.07 4674.18 38287.16 49300.41 10301.49 11009.05 683.03 736.92 22803.38 5324.53 17782.55 12422.92 1408.31 23530.11 19772.96 23512.45 8846.64 34575.89 41245.72 12691.53 1794.7 23875.07 25503.31 2239.32 7695.97 11812.29 16965.12 8736.16 12883.86 12305.43 6761.79 9964.97 11286.26 8228.47 2292.18 6637.6 7274.4 11782.48 10870.16 6139.36 23359.16 6356.14 11382.32 19145.06 11705.43 14190.86 7505.59 21220.94 11208.93 16275.27 16722.71 16625.04 17719.36 16900.16 17589.85 17683.69 16385.05 14532.45 17668.41 Val-Ala-Ser-Asp 1767.75 42928.4 48953.43 28407.75 22450.58 6921.19 25617.77 6635.15 6082.82 3066.64 1838.89 461.97 14753.35 3629.03 34011.84 23710.47 27112.96 36626.09 4385.6 22320.41 842.87 2474.97 1142.58 6383.03 6997.21 3938.14 6590.47 8656.09 7266.7 4315.47 749.44 771.81 7159.87 1347.19 10231.85 2452 8924.22 1112.78 874.14 12000.24 486.47 7977.35 13711.44 7741.99 8202.66 2070.7 16967.01 406.03 798.41 6267.94 2880.87 9621.98 9473.75 18614.16 9840.11 26088.6 35292.12 27856.25 11070.16 19628.15 15416.54 1232.54 27569.62 33967 30941.81 13714.37 6922.08 5427.84 13185.47 10303.27 13231.73 1875.91 12645.27 53530.6 31685.04 13918.03 14501.74 14121.05 13980.19 13728.43 13965.05 14114.01 13910.82 14067.32 Asn-Val-Glu-Glu 13073.79 15705.79 26864.72 9675.01 11472.69 18322.38 6464.85 11768.52 9589.62 8253.44 9157.96 23345.21 37674.15 8169.16 15116.18 18316.51 6907.87 24577.51 51481.36 28768.35 13092.52 17842.85 47208.81 11916.01 15239.65 16500.53 4570.67 7204.82 10443.42 42069.31 4484.53 12663.36 13672.17 9413.97 28388.25 13363.42 3087.19 1396 6362.16 20248.25 5652.49 7483.8 73968.38 6387.31 12457.88 7644.73 10461.05 11527.91 11579.9 13046.25 10658.32 16253.85 45743.49 83670 84393.84 3560.07 11837.27 28368.01 6318.65 12704.03 35871.61 17724.16 7088.37 70944.65 7099.41 10538.25 10225.85 10436.69 4067.04 6981.16 3633.37 4690.25 18624.1 17278.83 11448.73 13489.9 14222.35 14007.71 14056.3 13312.28 12830.9 13210.07 12875.61 15227.23 Ser-Tyr-Asp-Glu 28155.6 4204.79 377540.38 111738.37 53115.31 6325.3 1533.37 6482.15 3209.31 20405.21 30538.33 1561.86 45305.88 74167.69 27380.34 5378.63 15490.52 1520.68 4310.64 648.29 11076.89 18664.75 59648.08 50888.42 34634.21 7259.72 19243.66 21932.18 3429.81 578.89 1157.43 4176.36 1229.39 141578.22 67864.65 3054.52 32864.11 30223.64 58207.39 38318.85 6524.64 2882.65 46278.34 22237.72 11462.17 62709.41 4290.88 1433.21 2991.05 31721.21 64507.63 26844.5 61723.57 170590.21 32225.89 41611.26 32679.62 77544.42 2696.39 1943.05 51437.69 25237.55 38736.96 90375.31 30399.31 42021.55 12295.47 12278.94 11397.93 27821 2924.91 2847.85 24657.83 143503.39 89392 44194.93 44521.76 43899.72 43873.81 44359.59 42783.18 44247.6 46456.31 44541.58 Undeca-2-ene-8,10-diynoic acid isobutylamide 111473.77 111061.34 85542.89 87693.26 35395.2 204870.38 22800.75 171984.68 193978.28 70117.08 149350.5 155876.95 174336.24 47628.11 128592.14 137092.64 89095.37 150021.59 185714.48 197130.74 163826.38 142015.1 154515.99 130702.56 173186.96 199520.08 65320.78 164665.31 213007.76 58237.35 211565.3 228853.45 141722.93 95561.11 145159.77 180665.12 146397.43 140558.94 128100.27 57930.78 170156.3 239603.83 144863.49 70351.9 177290.26 76371.37 184098.86 169846.32 131007.78 223089.78 85448.54 149283.79 157905.67 94644.77 79164.09 128608.72 72319.28 69777.24 127673.42 89884.36 79657.95 90260.6 94153.46 120052.63 117211.54 152373.65 158092.35 112415.02 109419.74 137211.96 143794.98 143678.58 125399.5 128631.23 122266.74 145217.13 144881.52 145830.56 145444.52 145808.69 145840.95 146484.33 145833.71 145220.94 Asp-TyrMe-OH 11494.56 10652.44 63370.36 55272.27 56158.5 74116.45 89340.11 61320.09 11420.55 29142.22 116448.84 135796.31 101313.18 102315.79 28625.36 133639.25 86107.57 15139.32 115091.58 4931.26 20863.11 14030.53 70903.3 93838.01 33846.22 67086.89 63733.02 82336.4 89476.14 54595.91 24466.18 139196.33 68820.92 87440.87 76853.34 18845.59 13849.32 52531.48 65730.78 63420.01 56994.34 89187.45 97910.55 75284.06 49189.52 70805.36 15132.05 94375.11 73473.42 164152.37 50839.7 35010.45 94674.23 106320.95 31657.93 51450.14 67827.34 61090.78 31992.32 12804.65 62217.36 47807.81 43799.73 62763.39 78883.32 57996 14970.34 98605.88 116486.46 53347.07 25412.59 67288.73 74739.43 90835.98 103682.64 79684.96 80981.41 82893.43 79512.31 80410.85 72663.33 79377.68 82753.51 79626.12 (2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol 8015.21 16296.02 1699.64 3288.59 17142.24 34108.82 2499.29 56937.15 5294.63 10643.48 8932.27 90195.78 13568 10576.76 89906.78 11345.97 17833.76 128699.81 47938.71 18923.21 36768.14 1187.06 902.15 3948.59 24895.08 26080.5 3377.38 14942.47 80293.93 17805.65 15058.15 10562.68 3616.69 3139.05 1116.18 69099.92 11638.72 2369.55 7558.15 11885.92 122184.79 108200.41 9197.64 12478.82 58453.04 35407.74 20070.33 11799.58 5944.53 38659.01 14573.36 21752.25 11321.05 24552.14 21605.41 65383.58 7873.35 7091.35 19150.2 1032.86 3344.24 41271.76 16882.77 8396.87 53257.86 92466.74 45545.81 47259.21 13861.89 6124.05 8579.98 27548.76 14334.99 12490.38 3740.11 21069.54 19592.04 21544.9 21562.31 21951.04 21041.76 20100.24 14464.48 18522.85 (8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic Acid 4861.12 1377.81 8932.6 171663.13 250267.24 517697.76 280749.6 25195.6 10785.29 1799.61 3103.39 17677.74 141048.6 2552.6 1012.73 14122.81 17084.75 2171.58 3701.07 4647.71 11165.33 48271.88 3612 2969.31 4636.51 2403.05 9233.36 5492.71 17126.95 7211.48 881.78 17348.36 7615.24 16572.73 8355.71 9611.89 7219.78 6202.13 10170.49 2309.45 189253.28 19918.84 1535.68 1929.85 11325.66 90800.62 8142.62 6051.84 2974.73 12118.93 9102.13 9497.5 18270.78 14806.58 32746.17 4870.55 2966.24 1509.54 14405.65 4580.18 2091.33 7777.84 5822.01 10055.37 3173.04 14490.86 3636.26 2199.5 2783.56 5858.54 994.73 16147.63 5150.05 9928.97 14476.95 70614.31 63766.04 71956.59 73163.8 100773.66 64049.98 73657.34 69012.33 65510.87 Ser-Glu-Tyr-Glu 874.66 272.31 1270.84 1790.7 12439.85 5756.97 3823.21 1779.01 1102.21 752.93 1844.32 1801.35 2250.45 312.26 335 389.46 1315.86 693.29 444.15 1296.35 10975.59 1023.36 1007.05 503.09 7294.49 4509.56 1624.22 348.96 632.02 767.77 379.82 39028.72 637.3 1229.95 1031.42 852.22 627.84 1864.67 770.72 1748.48 355.54 1010.09 307.25 905.2 486.69 524.6 1564.89 1286.89 1436.25 3220.64 320.41 881.79 402.53 6155.37 468.06 322.36 1503.83 1029.06 1289.07 1928.83 1136.43 1057.55 1424.24 9352.83 5879.51 860.02 3773.49 1461.64 622.1 1040.14 462.99 845.77 414.86 1699.67 1561.79 2377.75 2412.23 2308.14 2513.62 2481.03 2068.73 2242.36 2502.86 2504.76 Val-HoPhe-OH 631197.82 238498.51 105008.21 6492.98 794124.33 435589.33 395815.16 1087682.8 624012.54 409088.5 355933.73 675838.14 634178.91 254177.15 1043634.78 707301.01 171466.38 714381.77 675659.79 1115555.81 980758.82 444729.6 241390.97 210129.37 700372.81 743672.61 268438.44 189818.45 1028021.98 405728.97 1188877.64 1955965.33 862709.87 304897.19 208537.24 665740.97 585097.54 399381.24 310249.52 111614.81 424060.14 1167302.12 247450.3 155755.37 992501.04 179848 596094.91 393636.76 1025191.08 1050121.73 1024233.71 426488.75 227257.97 169487.78 467080.41 273428.84 117783.67 71805.38 710278.73 232845.67 158948.69 152874.62 393869.68 254877.41 310526.55 678251.15 448729.34 268317.7 254417.83 805588.15 495388.55 455567.9 375421.61 202752.21 226489.73 527639.87 530980.05 542131.51 531015.1 529527.7 528837.72 521837.68 527732.02 529305.08 (1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate 6933.13 106740.77 3259.92 13242.65 1594.62 2449.29 1860.24 1578.12 2724.32 6223 1532.86 3506.02 12459.43 32336.68 8674.28 5641.63 8835.69 29617.7 9178.1 7629.86 1207.14 11051.29 1156.12 1920.25 1603.51 3574.48 175.88 2718.67 9197.12 2460.57 43694.56 60006.3 2204.94 7847.88 1194.02 3150.03 1241.61 8735.29 330.8 1034.7 35050.78 14723.88 2341.25 3428.38 33133.04 6901.29 5414.11 4636.32 5450.45 160106.23 16994.64 45771.25 7880.51 8568.29 12382.48 41798.45 5063.88 2249.21 1579.56 11395.89 849.33 3290.52 7218.86 3303.43 5742.44 15323.29 54422.41 3063.98 4971.96 2093.48 3028 212.57 2614.48 18840.5 9295.46 9687.15 25236.24 21910.4 14273.4 16163.69 24123.89 28580.71 19176.86 22639.99 PtdIns-(5)-P1(1,2-dioctanoyl) 24955.28 19920.27 9321.76 17279.37 80059.13 852570.1 67869.2 34737.41 1103.37 1783.81 26274.77 834.16 33592.79 27757.34 365.82 628.7 22976.51 1815.44 24938.3 2228.29 572.96 118153.45 642.72 690.15 33377.44 86172.11 20533.53 25674.91 781.22 632.9 36918.89 1292.22 11082.96 2278.17 20330.17 565.02 1254.42 139985.92 1373.72 474.43 19371.57 68437.81 423.51 23133.87 421.83 22539.39 37195.65 479.78 18485.65 712.49 23648.71 530.86 36443.34 32522.87 8840.88 802.23 1068.55 18531.29 627.45 60272.81 17573.98 394.01 817.33 722.34 30088.41 7940.79 1242.91 24204.53 28624.47 1210.02 22930.76 11664.08 29798.33 954 1092.94 26708.28 26166.46 34008.31 28073.9 28031.41 28026.49 26577.02 27771.5 26061.58 Ile-Phe 169679.05 18578.88 6647.21 939.7 212932.1 236482.83 4907.02 316621.08 167257.31 112143.43 33063.11 180491.34 29377.76 93922.07 137409.1 385773.64 22915.32 218503.76 196833.03 290968.05 241286.48 114846.94 24557.99 65095.72 186492.87 158275.66 79427.35 67447.44 266245.54 118922.91 249777.15 459985.66 190951.35 91457.62 61493.56 198440.57 319159.19 105932.47 54160.19 34949.61 144748.6 286893.45 65442.2 15090.63 241565.35 47154.73 176291.67 116312.67 246813.23 274066.35 254945.87 113289.87 78821.74 27212.85 127481.48 33676.83 33082.71 8927.4 187731.61 32300.48 51875.24 42771.26 103159.7 11034.48 81966.3 170248.88 136674.68 82418.71 76991.24 201240.6 127926.39 126437.72 97861.47 49510.83 76505.8 146033.14 144698.79 145639.55 145646.96 144220.42 137255.58 145679.6 142801.66 144226.46 Thr-Lys-Gln-Lys 21873.67 6087.35 11822.07 2033.67 45435.44 19013.05 4163.99 33965.67 23676.89 743.24 3513.54 23140.66 5898.44 1475.38 20488.23 14740.61 1976.2 9750.94 5652.69 4932.17 32519.51 3232.63 22397.7 2812 40111.14 32803.91 9295.99 710.4 20813.94 9671.77 11543.01 43866.14 25651.26 3599.36 7143.38 54102 25274.94 16362.09 2764.26 1785.64 23312 128223.74 6370.19 8940.53 67300.11 2424.52 44646.63 41279.99 20669.61 2759.76 61682.59 18876.75 9202.75 5130.99 131959.57 23688.56 6458.54 6970.9 64620.36 19742.92 4411.54 7931.86 36592.35 6917.09 2030.01 36340.12 1417.26 2201.41 12148.78 37809.62 24660.18 3868.73 6044.37 5803.64 11623.33 12465.71 6428.44 9001.85 8372.61 11074.44 17087.45 7241.6 16176.47 30026.62 5452.79 3783.32 6990.66 8538.67 12958.39 5031.27 7019.25 6842.25 20232.98 12023.43 7933.98 5295.98 5595.58 10570.71 5570.0 7345.93 28533.23 28436.06 27333.58 28447.75 27137.12 25175.75 28433.58 26270.34 28404.88 11b-Prostaglandin F2a-d4 709.65 3043.63 3186.39 2568.34 12991.64 796.32 489.84 16577.49 16309.67 5129.07 3376.52 3271.78 1703.36 982.31 15487.66 3710.56 1804.86 9452.37 4363.99 7911.84 2086.62 2805.12 791.74 998.89 13473.88 19218.94 3695.51 2628.6 10211.2 720.49 3279.22 393.45 11239.93 2152.1 4797.66 6663.2 4795.15 455.47 815.16 13248.61 476.82 501.17 6530.05 2180.08 1335.13 2131.79 4064.11 1041.61 724.44 472.9 2277.57 597.28 9027.38 12271.51 4464.88 1588.64 2235.85 5920.49 6491.11 3964.36 316.19 363.47 8165.12 16260.31 12478.33 5186.43 496.56 2587.02 575 8656.11 15544.67 669.98 4927.93 16768.25 620.8 6051.4 5941.24 5704 5944.65 5942.19 5883.9 5881.5 5911.9 5867.95 Asn-Arg-Gln-Lys 14036.18 5158.46 6819.31 4218.17 8268.87 7601.89 1902.66 11703.98 43073.03 41122.5 13430.06 71825.47 8953.62 15944.52 11215.2 5978.05 1472.05 59372.99 13229.23 4470.41 20437.5 29467.3 14257.21 29077.64 41793.22 13239.88 44999.01 9734.72 15864.7 16753.12 4009.27 54361.9 984.15 46007.8 4604.67 19821.09 14148.14 3214.54 30934.33 4971.34 7565.36 67251.09 4157.32 29618.68 131711.97 18803.99 16030.07 1859.25 10161.45 29039.86 94259.84 14447.83 23424.68 13194.51 57962.57 5306.8 1892.8 1314.69 38728.61 3399.42 4862.99 22334.42 9734.34 8097.85 4788.95 37994.66 65941.73 22741.99 9090.94 15087.49 7813.86 57673.66 27600.39 13497.29 21456.32 27059.75 31328.69 28590.3 29788.97 28414.91 26445.73 28289.86 8879.31 23049.89 Lys-Thr 1505.58 9256.76 1869.5 3259.9 21832.52 6058.68 7404.88 14140.87 17581.85 7087.19 764.71 3954.84 944.63 587.58 13020.9 6890.11 3789.54 9023.12 2008.76 8923.44 1945.54 2465.54 392.77 1780.2 6815.94 5355.59 4359.08 548.64 3128.09 510.13 1314.72 2077.17 4458.57 1240.24 1559.32 3094.2 5427.41 1921.03 2046.54 2383.31 405.58 1723.82 2189.87 1715.08 3565.16 2590.49 4665.07 2578.4 774.25 2737.22 3520 502.36 1489.01 4014.53 5538.27 5172.03 4517.91 3865.87 4409.22 7566.95 1417 496.04 4008.56 2650.48 4318.88 7779.63 3091.06 2015.2 2321.13 7847.05 6042.82 1577.67 1016.23 4827.16 2355.85 5415.73 5560.25 5415.72 5418.55 5347.71 5414.44 5485.4 5540.71 5415.18 Ile-Phe-Gln-Glu 1375.32 752.71 1568.44 780.94 2426.63 27445.53 4019.53 1748.85 614.35 1577.6 2267.8 750.83 2232.38 1152.1 827.8 535.94 848.78 321.84 2531.51 1187.25 238.54 35485.96 394.87 909.33 959.52 1339.32 399.38 1549.14 466.32 1602.08 710.82 351.92 697.28 201.31 1348.46 441.07 839.46 5755.09 210.77 416.91 157.13 1285.81 1340.22 393.95 1427.3 803.61 1652.69 1072.95 2180.59 208.36 1268.57 2081.57 939.78 558.47 497.05 707.37 2253.25 1745.87 1485.21 20037.07 395.94 839.31 734.14 785.47 962.61 694.8 840.15 855.72 342.4 2082.03 490.16 1528.64 261.86 1335.61 730.61 2881.09 2897.81 3166.37 1577.7 3221.93 2787.03 3030.69 3822.04 3197.89 Thr-Ser-Phe-Asp 3834.17 458.29 27851.17 12775.84 9112.41 3386.15 872.59 1243.63 2228.92 3049.23 1061.06 2715.26 609.32 5276.9 1303.42 533.27 19620.75 6077.16 1185.49 2432.4 2006.84 2613.14 8957.72 5680.07 1952.82 1523.05 1138.17 6983.84 1768.85 2077.52 3147.84 2640.63 1169.19 14398.25 8722.59 569.75 1240.34 3121.75 6176.74 2891.99 1939.87 1301.66 6917.04 1428.16 422.29 6731.89 1128.76 776.91 808.4 2003.43 2154.16 1224.92 10375.21 25926.86 3390.62 3107.31 2545.37 8745.94 886.93 1853.25 5034.68 2198.12 4134.61 15407.11 2016.89 3606.1 975.22 757.03 696.38 710.52 1321.26 2871.3 884.84 16736.84 9607.62 3746.88 3583.82 3895.22 3747.25 3641.7 3575.86 3693.96 2910.83 3711.53 Phe-Ser-Tyr-Asp 37009 38635.42 2071.31 95948.76 88266.43 5232.91 187574.93 40550.44 63539.22 15358.08 31748.85 149589.13 134487.81 30334.9 44646.86 224115.76 52509.52 57523.87 14256.27 41610.23 94137.5 3284.97 32526.98 54517.83 31775.12 27592.06 9887.06 54550.27 24438.3 561.83 27286.15 16555.63 37453.9 85788.62 39038.19 784.42 38703.68 20381.96 34165.02 62839.59 2368.01 56611.43 22141.29 3916.58 34803.49 294939.59 78595.39 32479.45 12078.84 26094.91 29585.11 12956.59 65404.23 227888.94 34697.91 927.91 7167.38 9329.59 39043.11 97631.72 12557.38 26587.94 49970.11 186343.08 71325.77 102758.26 62419.36 155645.06 163962.13 58540.42 23865.75 40329.14 41985.99 186611 269407.23 74273.54 81276.61 74404.05 75664.92 74196.03 74993.85 73443.25 75430.61 75629.21 Ala-Glu-Ser-Glu 11252.03 17573.5 35590.61 31464.16 9313.85 3447.44 13547.42 11480.95 9867.3 2153.33 33212.24 7937.86 43051.3 28384.83 70700.42 55106.61 12452.78 5073.12 3277.36 10056.34 13647.09 1992.2 38701.11 36002.21 5178.18 8782.51 7045.55 16462.56 6609.42 1111.76 1045.53 8510.57 2049.72 14766.67 17016.72 5074.78 1933.61 2210.57 3413.55 12024.83 1996.93 4131.62 1253.17 12629.66 6036.36 789.74 8534 6267.47 6866.49 7812.61 9209.84 9496.29 16222.49 3810.66 9373.2 31046.9 78713.79 11007.04 2770.49 4434.12 5767.78 12966.49 5279.24 27686.6 6865.33 4431.67 10316.18 2920.33 35306 10566.05 10226.63 9916.32 13567.2 18312.64 16007.91 7153.57 6584.76 6809.59 6603.76 6092.16 3622.86 7187.01 6074.16 7981.34 Totarol-19-carboxylic acid 7273.31 5393.68 1556.34 4031.16 10298.96 1066.57 6861.15 9902.76 9920.7 6481.59 3423.82 4085.47 8216.32 6279.77 14417.25 4062.31 3241.4 11152.32 2023.41 8000.67 3364.07 611.85 2077.88 1240.62 8295.59 16857.67 6665.28 1467.51 4720.5 1831 636.84 1168.38 11084.72 4085.59 3174.86 5747.47 977.99 1048.22 1212.46 5908.9 3087.73 7117.81 6160.67 2684.28 7076.88 11040.71 2293.1 1115.15 628.26 6801.55 696.42 4249.45 1678.65 6413.56 2181.07 6159.58 1159.01 5408.39 5525.05 7919.99 854.09 2531 5311.21 5251.86 9461.32 4388.3 1087.96 1719.78 2452.72 2471.06 8055.63 812.72 1605.32 12891.44 3133.67 3141.79 3351.51 3339.05 3389.79 3311.26 2394.89 3633.22 3433.96 3452.26 Leu-Thr-Ser-Lys 8665.5 281.78 458.98 2063.39 10939.69 1992.09 1180.29 7273.8 7259.55 5566.64 3073.88 10134.13 5634.79 1574.97 1450.58 3558.32 978.74 4665.67 1760.27 4914.01 9303.23 681.18 407.92 2310.18 5460.83 1412.87 1836.91 1945.03 2302.65 696.88 551.41 932.5 1556.98 670.18 475.6 2004.88 642.57 667.97 1261.25 420.79 8147.64 1924.89 252.29 1979.62 6146.06 2000.1 645.55 368.41 1003.86 1118.35 8281.99 1563.73 1930.61 7751.8 2500.15 697.79 1226.12 1349.68 2620.69 1130.45 1466.53 304.92 749.78 1583.59 360.36 6890.29 2499.08 2868.39 2853.79 1892.63 597.94 405.21 518.75 1812.78 3320.46 4092.2 3502.65 3979.64 3991.3 3833.88 3865.87 3850.73 3987.41 3862.56 GW-9662-d5 23851.43 23127.45 16263.27 12859.88 26033.67 32595.31 11251.48 26572.31 26500.33 32082.92 24577.34 18553.88 29413.58 16076.78 32855.86 37041.04 27916.89 26381.64 14121.4 30573.23 12657.25 10634.36 23538.76 19261.4 27860.9 26293.16 15633.15 23254.53 46612.24 2048.74 20114.91 14693.75 17109.96 19079.72 14229.74 15728.36 22922.14 24010.33 14273.36 12460.2 48478.89 17504.15 13550.64 10975.26 28404.72 18321.72 25255.32 8292.53 8265.79 16889.3 24168.74 23631.86 16689.11 21415 32833.81 40512.98 12086.87 10153.82 32946.08 28138.09 10908.26 10582.94 13575.95 14623.42 9861.34 40316.37 20248.38 11474.3 20531.56 27169.92 21749.89 16568.87 15011.06 17780.33 20855.12 21650.91 21460.46 21627.44 20542.86 21246.83 21255.53 21380.09 21633.19 22604.13 DAN-1 EE 21179.63 21397.65 27587.86 33082.79 21992.55 30002.26 46172.07 9021.82 8048.31 21388.54 32663.13 35008.38 32426.45 26966.83 20923.93 45084.83 26796.29 18218.27 53955.35 27757.42 24807.54 15224.25 39554.21 43409.95 25190.68 27134.84 25377.72 31665.05 18319.64 4664.64 18950.39 39503.47 7693.92 24528.89 18138.88 2864.01 14981.86 8633.69 16732.9 18515 16189.15 20594.36 24182.67 13421.59 19188.52 39614.8 17793.55 8624.33 35218.64 42195.71 13070.08 12981.91 21837.23 34020.66 9596.47 12547.97 22380.98 15064.63 15150.04 11281.5 13988.62 14335.64 9196.15 24313.85 23177.56 7278.51 17786.3 26787.06 23215.68 18095 20053.43 19540.56 20003.6 31788.98 28860.54 29133.16 25625.41 24655.23 23598.26 25679.17 24745.36 25715.15 25217.97 25660.88 Tyr-Met-OH 461.75 40165 1892.57 12365.03 693.02 555.53 1080.14 4771.02 5164.37 25565.74 301.79 11733.17 296.71 10463.93 3329.76 19845.11 695.67 10124.66 12506.96 13421.82 8399.53 49585.66 7916.63 805.77 5641.5 10527.08 609.43 331.18 567.99 27806.46 1255.25 272 107173.21 6175.24 3965.08 977.61 4805.68 51134.23 14788.68 1536.41 8425.8 4120.86 6464.8 14090.81 780.93 1300.52 1315.8 1572.53 580.27 1329.19 4610.64 24316.29 1011.64 1497.41 1380.92 20799.51 5021.21 6437.74 13483.9 34571.65 15868.81 2921.11 1730.14 7674.18 9004.58 1757.33 2448.63 8043.99 9577.74 11736.86 143372.61 7344.58 4359.34 11029.42 3458.84 5321.0 5380.43 5411.1 5564.36 5458.7 5515.67 5960.77 5499.4 5681.91 5782.83 5164.38 5773.72 5660.35 5328.94 5184.53 5211.19 5545.05 5109.55 5704.26 5570.37 5584.74 5599.7 5207.28 5664.96 5308.07 12590.58 12130.02 12382.74 12076.02 12331.35 12383.18 12909.21 12221.88 12320.44 Gal1-4Gal1-4GlcNacSp 414363.85 1722.41 49337.19 25821.76 7277.32 52300.95 72457.61 138068.7 93247.82 53346.16 794.09 113788.64 20996.41 20691.4 127373.25 78211.05 34244.61 73408.59 165523.68 644746.98 334552.43 34640.04 1119.1 3172.68 94888.63 70200.22 2372.7 87491.9 29047.14 64749.12 89935.89 103051.34 96863.89 1340.89 23239.2 318371.97 173495.25 3337.81 16598.67 3832.24 408807.3 584406.76 1133.41 2439.5 207634.35 6366.71 493656.4 40618.29 116792.94 216673.65 82225.68 20477.38 21019.12 2398.91 62214.68 8169.2 23839.17 24880.44 33511.91 16121.17 8525.53 1014.25 8001.75 997.42 13234.65 5234.91 3322.87 57833.27 74154.28 193491.26 194096.97 41068.03 46319.98 1520.8 1397.08 55089.7 50219.07 29246.51 42047.77 52432.9 52455.63 48050.02 52081.18 48170.29 Ile-Phe-Val-Lys 4641.06 78247.5 134657.58 85343.61 35298.13 5880.75 9038.82 15769.36 9262.07 89283.55 12911.57 4811.36 119607.77 23041.75 7860.36 6623.99 24568.11 1778.39 37267.33 4262.63 7893.92 1189.2 135848.97 48436.76 14327.55 6281.05 98251.65 7300.5 21643.55 6768.1 1179.26 27932.82 1516.34 342414.21 82785.53 17752.72 9630.21 8889.46 37027.5 18859.28 3413.29 1027.97 45866.15 13145.28 5523.31 19635.74 3679.19 3635.21 81644.87 9807.72 6614.53 158767.09 32209.11 47622.31 21813.42 45421.85 68945.83 84309.64 7698.79 3287.43 65543.38 196209.64 17517.6 26214.07 4034.39 29920.14 13959.69 42997.73 7239.33 9239.65 6980.19 129986.14 2689.77 48009.56 20122.34 5991.15 8394.89 3640.73 5208.99 3694.54 4482.4 3977.19 3526.89 2435.61 4276.41 4746.84 4625.21 3519.07 4736.27 6723.16 1958.62 4857.79 3031.76 3712.96 5925.57 4654.91 4230.0 5006.39 4800.13 4009.85 54780.43 49025.91 46351.34 47083.51 47066.05 47233.95 48862.15 49030.3 47039.46 Asp-Ile-Ala-Lys 71364.42 54119.85 9973.64 35789.7 17479.97 60704.15 27793.32 45461.13 75792.42 78063.85 74962.93 100501.67 48870.66 54194.63 121632.5 66405.57 44456.14 84382.27 93214.18 84203.28 57583.78 72501.05 81013.72 64170.8 150145.67 97277.65 25848.39 45643.36 48276.68 24809.7 65426.22 30340.34 51132.7 40371.55 43974.36 50555.4 64622.32 7092.09 24191.7 9526.73 68177.37 65556.65 49543.14 19728.75 41114.25 18255.04 80312.25 27677.28 77409.48 27522.47 52540.11 19613.62 2190.77 13905.81 46551.41 42120.29 5510.38 2715.14 44774.72 25876.38 3265.38 5848.07 40392.67 43652.78 36488.83 47401.33 95244.29 15028.23 22973.9 48288.72 54425.76 49192.47 3877.07 30336.27 26830.8 53375.96 56263.53 56344.2 51080.15 58320.06 53348.87 56871.13 52666.56 56982.62 Tyr-Nap-OH 330.08 1061.53 68765.46 26390.62 12093.6 2103.32 772.85 14217.33 13315.89 551.51 4985.42 395.6 170.44 1309.34 2291.71 846.77 7494.81 565.25 261.36 13336.02 323.18 27689.96 4663.57 7521.81 13793.44 367.37 428.33 6967.85 253.82 7208.35 15230.55 13127.27 95.24 19769.44 4141.08 348.16 1236.32 33476.92 1983.1 1089.31 14212.72 12307.58 3024.06 3229.55 590.24 378.53 952.65 6693.18 9042.5 277.35 293.79 5919.43 3526.33 3418.43 2285.76 6176.6 128917.98 91056.4 686.34 38133.91 4289.86 6764.21 5208.61 7435.36 5565.18 8545.77 1294.85 3192.62 933.79 505.94 264.44 847.26 5550.81 16823.24 1341.21 26270.73 26622.91 26474.48 26396.94 26448.2 26258.95 26480.79 26184.17 26263.75 Ala-Lys-Leu-Asp 51742.57 28765.34 2234.64 1908.56 3410.43 21084.2 5796.26 41105.01 93815.67 37187.95 30897.07 49483.84 9046.38 14872.42 5965.56 43876.04 9243.96 19034.96 19590.19 46938.06 17838.75 7986.53 18406.64 18974.87 51893.52 13565.52 34538.24 12577.89 32905.98 2561.26 1623.74 36286.07 10822.65 1545.56 5815.19 23047.02 16929.95 12211.86 2150.71 4211.61 6702.2 19574.74 11051.44 9396.58 121949.84 2197.22 11178.54 5634.65 2041.85 3271.4 5614.2 4982.73 1901.81 17082.91 11329.86 9231.44 7761.88 948.33 42682.52 1522.73 1177.89 3638.11 8205.12 14106.98 14549.79 13054.18 5135.88 15036.56 12380.57 29722.56 10099.31 17315.31 5383.55 6973.5 4224.38 22541.53 24454.23 21013.73 21046.77 22185.41 21308.5 22880.11 13825.5 22287.88 Oleic Acid-biotin 152890.84 364571.1 287452.85 295988.41 237688.76 147482.65 174897.47 151258.47 379575.52 95656.87 398256.1 191807.02 213621.96 323002.27 198826.7 455225.37 297103.55 268676.5 223159.75 187116.45 228428.73 133325.89 462512.53 532576.35 311654.41 88254.02 348607.31 116505.81 192644.27 122462.99 157890.04 202133.58 335799.13 135646.9 141084.42 130713.01 169871.68 83085.37 163181.63 251015.9 122289.08 208859.69 176752.9 122213.35 181853.36 375612.16 149961.37 289115.83 233911.45 220969.98 231084.9 193521.13 187512.23 249979.11 470955.11 168727 341312.1 198083.64 131863.59 63125.91 352127.27 114864.06 554798.82 201368.54 179048.6 261354.23 174727.51 147475.62 127431.63 276281.3 158430.27 126307.52 226619.28 160798.71 434526.33 187667.75 190662.38 195332.08 192716.88 191236.82 190616.98 190649.6 193271.74 192760.74 Phe-Ser-Leu-Phe-Asp 10097.8 14064.1 578.49 534.55 19614.38 1082.32 998.2 22692.08 13751.8 12460.79 676.9 584.17 346.79 576.42 15454.88 391.67 274.63 2036.02 2234.26 2082.51 16161.34 10515.65 597.24 468.61 14671.65 16101.07 1090.93 169.31 7464.73 294.45 603.03 3681.03 9051.7 1095.94 522.25 575.83 12107.09 11298.05 1278.22 2125.8 8733.01 20319.56 167.95 550.93 2942.59 7660.55 8310.61 996.83 349.68 414.9 11519.58 13914.4 361.92 2349.29 9987.05 14152.89 428.69 221.56 11027.02 8686.79 1942.37 244.6 10260.04 195.75 490.6 16013.48 19075.32 1993.48 368.31 11744.34 15089.61 5445.47 298.93 162.63 406.34 9017.29 8902.44 9511.58 9032.5 8612.46 8895.77 8995.75 9002.42 9035.27 (2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoic acid) 7954.57 6984.28 3135.86 2463.65 23274.03 9241.2 1496.35 20492.61 797.2 14323.54 9453.61 1196.27 5488.68 1116.13 19330.4 3229.45 4069.48 1040.12 4842.61 2016.71 19566.79 2081.54 3175.6 14749.34 25152.86 10178.11 1555.51 9233.6 1178.41 4245.62 2921.56 1128.92 1041.03 2403.44 9392.35 2967.6 30660.22 1719.66 1754.84 8386.1 15836.37 9970.08 9489.62 921.97 1148.94 988.19 8972.61 9521.5 856.79 3691.17 2934.56 2415.92 10980.23 10219.62 9646.19 7084.88 1842.25 2484.95 7205.63 1576.16 2971.66 804.85 9780.1 2444.99 1416.62 18538.99 5876.41 2423.69 2265.87 21987.14 803.31 7547.08 9584.58 10287.24 2927.89 330422.85 275021.79 326239.79 92052.29 131578.0 441438.67 434761.18 93715.8 972769.01 626221.8 1055518.72 1201527.04 320530.79 81437.57 839269.45 130240.36 469512.53 533360.4 85870.29 316082.68 804918.0 579600.17 150840.55 1031836.22 145020.93 5217.12 4916.08 4393.26 3802.34 5480.64 3162.93 4878.5 4467.27 4848.09 Asp-Gln-Ala-Asp 4142.14 1020.31 8946.26 711.65 27542.25 1712.52 3242.49 14055.68 10567.68 20371.99 13243.97 9033.08 889.58 651.04 1251.8 722.05 31220.81 9066.39 13654.96 6326.89 10401.75 1203.25 18693.4 11096.89 6630.83 13024.83 9256.13 17116.55 7870.75 15486.56 5247.51 2284.2 1385.68 10135.57 15233.47 4139.81 12272.83 14675.79 3605.35 29772.72 11681.04 2467.24 18826.9 969.43 5546.08 66784.54 9046.14 6743.53 15353.62 13528.23 11028.13 3122.92 30853.07 60059.51 48904.55 2198.01 18176.43 21111.3 9693.25 5823.35 10305.52 2280.42 8259.27 37800.38 13662.6 2010.9 7350.07 838.76 800.88 1021.29 10736.06 4741.64 19622.19 50228.81 14821.57 32536.23 32632.29 68921.89 55896.42 26995.06 95594.98 21119.68 13428.75 38426.29 29048.53 147539.58 31779.08 28874.39 10014.02 126475.07 41938.48 76776.99 56849.47 35811.35 31243.68 22123.85 47489.31 46084.31 41050.37 26850.03 14869.2 15148.64 14236.61 14851.2 14173.43 14151.55 15955.26 13921.51 8721.55 Ile-Asp-Lys-Lys 72625.38 37025.12 42514.46 17571.15 190857.86 83246.81 22370.32 137032.81 91447.4 4342.78 5533.81 209589.99 76041.58 5895.87 117128.66 25025.87 6053.27 89936.67 44926.17 25023.41 103191.52 5637.15 54008.87 28553.11 204981.64 189210.34 47644.07 43257.88 74478.08 63603.18 51203.07 277835.91 85511.73 32868.5 25828.36 173832.62 50558.89 64661.39 4175.29 10742.91 187851.59 333150.47 7744.02 2034.09 163277.41 57283.82 153149.21 127128.23 44135.79 114875.49 253564.07 65355.49 6531.04 3531.36 380714.71 103198.12 25694.47 14853.75 242641.49 99897.67 16540.11 10362.55 142890.04 42999.64 10080.22 128266.84 62737.17 3079.81 4187.76 104859.55 84515.28 4515.67 9856.48 35144.97 25539.63 105553.3 103342.96 105632.36 104315.98 103383.58 105316.31 104326.83 109639.98 99204.23 Leu-Tyr-Gln-Glu 10090.08 78871.08 239244.74 104998.15 1384.8 700.12 607.8 4056.25 6333.84 18965.8 66363.36 66392.3 80037.1 112061.86 51840.25 56960.87 54855.61 17851.14 17282.19 6731.2 34301.79 16576.1 103563.55 160111.73 18930.72 10035.1 49140.24 38843.59 58917.34 2504.03 4462.91 31895.23 3347.56 116944.24 170813.83 8857.2 43896.42 32414 40567.48 125040.84 14712.85 2460.52 87392 78893.1 37625.44 16496.55 1890.38 64351.58 4120.9 4749.15 15301.69 59446.06 95640.54 109568.49 55323.14 87894.23 449545.39 150080.41 21671.86 2369.36 51403.45 111054.48 139515.87 216766.17 92624.45 78123.69 9750.47 56646.81 108208.45 12458.11 1325.3 43868.23 95067.32 230484.84 178513.06 48580.97 48902.67 46727.17 49461.64 38952.55 46883.08 48635.43 48620.48 48198.82 Prostaglandin F2 Ethanolamide-d4 4872.53 7267.72 702.66 2035.78 4454.63 5693.92 1560.8 4714.37 6199.83 2329.98 4268.13 7951.44 13469.43 13147.79 6649.37 1220.17 1414.54 21835.41 8004.72 14425.13 400.3 3214.22 349.99 4300.36 3626.31 384.42 1794.65 3088.89 8435.72 7344.77 26049.72 38983.84 3147.88 1807.8 2274.25 6086.67 2721.78 2589.27 1233.87 2718.63 21774.56 8020.89 719.93 966.2 20761.36 5544.81 7777.67 4868.79 5876.03 32061.91 3711.95 8526.67 800.83 4636.6 3924.57 8395.37 3706.59 676.41 1624.71 2255.82 1858.03 1269.92 3111.45 791.61 1528.12 5054.45 13248.61 372.17 1845.22 2747.99 2350.35 437.89 3319.05 1822.56 732.97 5812.59 6322.51 5942.94 5943.96 6041.86 6044.67 5807.2 6040.7 5544.96 Ala-Tyr-Glu-Asp 3577.25 54752.18 93586.75 54957.36 25326.93 60775.3 219672.84 14693.58 75048.18 5831.91 114776.67 126213.37 215694.05 13832.18 307771.99 298930.27 335598.21 177762.64 251165.42 103822.47 45028.83 4878.52 3071.19 36370.12 45819.15 89063.04 82376.78 81400.27 93144.62 18975.46 79791 26220.62 147233.94 200460.69 193120.38 59105.23 43182.03 1159.06 2337.19 150002.07 3599.15 8636.79 159597.89 33494.43 9352.98 347169.49 105616.04 214669.07 4302.57 24705.96 917.18 70480.25 171344.03 492827.46 89291.76 106533.28 122242.58 595783.09 117434.85 259844.39 107517.38 39148.25 168613.62 592710.77 480410.15 134459.23 19077.9 5149.62 64493.83 53559.49 138508.41 26136.87 203352.04 1063068.58 245839.29 164608.41 176601 161490.32 165152.27 159626.94 165212.3 163441.38 164393.75 164056.12 Asn-Glu-Thr-Glu 8468.75 2593.1 13363.38 605.52 11497.48 3882.93 370.18 2713.56 6407.15 13215.88 19827.52 1955.35 2284.01 1226.03 4140.63 6777.2 53701.17 3913.11 14327.26 2043.68 7851.47 2969.18 9811.97 380.48 7199.74 3510.15 6373.68 2661.75 3358.53 1113.8 1993.54 1648.01 2336.68 9497.33 11941.4 864.7 17340.61 7168.66 1761.51 13806.26 4939.6 4236.71 10659.58 1704.96 4232.43 23513.23 4039.73 7112.99 12277.83 4662.66 1173.27 6623.71 19669.08 33452.29 32560.03 3671.88 1840.85 17577.69 8402.13 13364.31 2090.1 2966.69 6302.67 29914.33 11540.02 6130.05 5551.21 398.37 2847.24 6169.47 2677.96 4429.26 15206.48 35812.04 10200.52 7503.9 7505.66 7462.19 7107.1 6880.85 7568.79 3826.42 6674.85 6427.17 Asn-Phe-His-Asp 17337.27 15041.18 2016.12 30881.71 35043.07 1256.9 60670.52 17907.27 28505.79 3229.69 12750.94 48202.33 42156.09 11054.4 16085.87 67491.24 19303.05 21495.14 1754.77 1629.73 35629.75 2223 11704.83 17913.07 7039.04 8068.32 1119.96 18242.05 2206.87 14823.82 7167.36 7817.41 7328.47 25817.93 11997.81 7979.37 15799.34 7648.88 12132.31 19289.66 1656.5 2526.48 8132.07 1521 14536.98 87805.19 28112.42 13032.32 6270.79 8597.93 7237.4 3503.04 21938.83 69159.87 13708.48 11125.73 1989.64 3740.44 15864.03 30375.6 4620.19 9228.08 18750.08 55765.08 23306.6 33124.4 25471.65 44517.07 47168.61 20129.14 10617.1 13352.82 14916.23 57237.56 79679.32 25283.68 26925.12 25509.82 25662.36 25609.84 25236.98 25241.44 25501.36 25737.46 17-phenoxy trinor PGF2 ethyl amide 1043.91 1327.1 2017.17 443.78 1701.21 2986.94 1604.28 3301.29 6921.12 3835.36 6763.31 1366.22 1057.57 496.77 4499.75 23046.5 1758.56 798.07 1444.38 2106.12 2639.36 1168.96 1056.17 685.41 1786.41 4610.81 2324.19 3461.33 2693.05 2789.9 2677.04 6392.95 1458.27 3723.31 3777.9 689.05 551.02 905.22 380.04 2908.44 1319.23 2663.91 1401.59 661.84 3327.42 2359.1 5738.39 1026.29 777.51 2581.98 5921.47 3321.81 1594.07 4496.32 2618.96 1106.34 748.98 1185.94 2680.41 677.58 469.43 863.11 1693.38 2608.25 2609.76 6490.6 3498.37 1016.98 633.99 2515.4 2191.49 2863.57 2582.99 4136.15 809.87 3079.57 2903.32 2930.79 3171.86 2913.3 3009.63 3118.37 2167.8 2809.08 Ala-Asn-Asp-Asp 1888.46 383.94 479.35 2723.94 40543.73 443.99 7771.04 180.17 611.72 545.72 1596.15 892.58 4232.73 220.64 1712.2 246.61 436.46 2770.85 149.29 3506.47 1051 285.67 451.22 455.87 1886.9 147.37 647.28 1184.76 333.06 1185.2 1017.1 286.76 1673.65 1306.45 481.37 661.19 2181.54 1738 487.69 451.04 162.2 1403.77 403.79 535.74 1649.05 1882.8 316.99 215.08 427.35 950.41 3447.06 1091.5 324.52 2062.29 8619.07 2046.2 4512.25 2105.09 216.56 4734.34 1822.06 347.34 1510.21 4060.47 343.63 2616.81 250.3 199.76 416.88 142.74 1808.13 686.53 2208.37 514.5 1982.41 4130.97 4094.34 4079.79 4264.13 3617.71 4185.07 4676.45 4103.81 4253.32 Ser-Val-Asn-Glu 4388.03 15975.46 22240.63 4585.62 45802.41 896.37 12002.71 4252.8 36282.18 10838.81 18048.77 37917.03 8858.58 7620.09 94715.03 18505.61 15856.99 33935.89 44827.29 8372.12 33730.75 812.92 851.9 5632.09 27465.86 4491.17 1917.85 3605.29 25739.24 332.84 2883.8 33828.75 20252.55 10236.37 20071.1 2004.93 29339.34 10241.72 672.36 51999.92 14496.95 4875.95 7929.96 480.39 39382.89 4258.17 63473.27 1966.97 1466.36 44676.36 4104.65 3573.86 19119.18 23651.19 18821.72 20762.66 19103.56 41840.36 27548.56 2057.32 1169.63 774.58 24208.82 48740.54 57644.23 22245.05 6938.31 8538.3 1447.74 36716.37 55123.82 8650.45 43593.72 51941.78 4765.21 28994.51 28971.48 28561.4 29002.99 29267.13 28560.58 28560.62 28363.12 30452.67 TyrMe-Abu-OH 2765.4 1679.02 2196.09 2778.1 2694.34 3337.9 3433.51 3166.5 8960.55 4390.65 1105.34 6359.22 3356.14 3730.57 4484.7 2546.38 2656.67 5898.57 11627.13 1044.56 1307.53 1422.89 1910.28 3340.39 2782.66 4863.73 1740.49 2586.63 5669.23 1193.06 10348.26 6880.58 3079.95 2655.2 3517.23 6143.79 5909.39 1901.92 1072.77 1222.6 6840.8 8164.22 1973.83 1162.59 7888.4 2775.2 9253.21 2343.61 2300.79 2903.09 2957.23 3363.95 2833.5 1615.72 1823.6 4437.65 3841.58 2637.74 4314.22 591.51 647.51 612.66 1962.93 645.74 1687.11 4059.07 6613.19 1789.25 1589.51 5929.58 2904.21 3249.92 2660.95 581.27 1709.82 3631.37 1663.51 3222.08 3267.19 2787.65 3586.41 3633.07 3884.68 3022.33 Arg-Glu-Asp-Arg 31283.85 48920.67 37374.64 4473.87 29469.62 24484.69 12596.86 30195.6 79499.46 59485.78 93040.24 86992.33 38056.02 50948.67 44056.11 96395.77 35717.61 49839.33 127401.95 81030.21 70557.16 35121.13 92045.69 82102.81 56189.68 44108.83 49769.97 74660.16 53012.8 67638.93 31711.21 157938.31 27008.76 60814.56 47424.67 25540.33 27840.03 15703.49 46096.47 38710.23 36599.43 25730.75 60136.36 44940.79 44588.47 31170.82 34183.87 69097 106183.26 97956.43 27803.09 37267.56 72828.54 41075.56 23528.68 46472.45 44931.44 27344.35 35734.35 3363.65 48555.46 34855.23 47904.53 57766.03 70228.82 23116.92 46777.1 59185.2 67852.25 51095.44 40606.49 81356.86 98789.11 75598.59 59896.33 61178.05 59079.85 61837.99 61256.76 59334.37 47023.72 62122.2 58806.23 58794.06 Asn-Tyr-Glu-Asp 1446.57 812.83 855.42 275.2 539.21 10634.95 810.39 2005.94 1169.43 605.59 2102.85 2043.03 434.08 951.81 299.67 797.35 1122.76 362.2 348.58 4105.76 346.89 18421.32 2259.46 1706.85 1504.02 941.71 1254.67 532.93 713.9 301.68 2054.76 2166.74 233.43 634.28 879.89 208.03 1323.57 13512.23 898.99 840.26 1283.93 1193.62 1334.65 758.76 620.05 461.17 1306.67 1942.42 538 925.84 1037.53 1243.17 225.12 701.65 1511.56 285.04 324.68 236.76 285.36 7406.45 772.94 952.89 161.56 2381.16 161.07 407.16 1392.26 980.04 373.06 1366.72 562.48 550.55 1226.63 470.05 399.87 113016.88 134969.04 136334.26 84684.7 136398.37 93148.71 132310.42 107899.46 120941.93 103104.02 110037.45 65420.17 103894.22 102831.05 93795.72 120486.22 121096.41 96096.55 2140.37 103315.17 124530.06 161494.32 114574.6 111380.58 98067.23 3256.23 1773.1 3341.35 2938.1 3432.16 3360.2 3377.3 3023.53 3401.36 Ala-Phe-Ile-Arg 7943.31 6055.74 31646.73 12835.36 4908.39 30837.44 9194 3105.23 1468.73 6109.51 12739.2 8564.93 36079.82 5239.94 3561.13 36371.91 26133.82 46419.71 33866.11 32920.78 457.78 42887.4 12989.32 8983.77 3634.2 28134.2 10312.56 2358.28 35302.5 12989.78 6283.93 17009.62 9516.09 30228.31 26913.62 1904.63 1826.01 3000.77 11814.5 3174.06 23332.06 3910.82 12393.85 7968.15 6272.05 9807.01 16846.04 3010.91 11518.67 31431.99 4075.97 13445.73 27660.07 41953.27 4676.89 23974.47 30053.74 15848.26 7809.05 6885.1 4011.59 1636.64 1707.15 14169.5 11445.76 1751.12 4825.77 2501.09 12422.41 1115.17 2541.29 3028.25 2623.95 25223.78 16508.05 2610.89 4765.9 5595.98 2572.32 4334.97 6346.64 6207.2 2591.42 6039.87 3823.66 1636.64 4780.97 4980.56 4420.21 5585.64 1488.92 3949.9 4523.89 4002.3 2788.46 4462.58 4904.3 5645.13 3588.95 3681.0 15666.5 15993.65 15660.58 15060.97 15148.85 15661.43 14948.81 14944.45 15268.81 Leu-Gln-Ile-Arg 92465.49 2300.41 2956.52 10196.46 21167.85 34548.72 4452.24 44497.19 130415.04 36846.02 94772.52 120296.16 33060.77 87542.42 70673.47 30188.75 9203.86 143637.46 80958.25 92878.55 191794.72 10395.8 32780.65 25339.41 56615.51 59125.87 56949.21 62848.23 111865.36 48808.4 267640.78 87659.4 44106.53 15758.3 16664.57 103241.79 70109.18 47803.5 36491.73 23713.83 244194.91 138470.97 20840.73 4082.86 231227.23 45654.42 174288.12 57168.53 11480.86 105581.59 231747.6 49369.7 51498.83 50013.66 126601.95 104227 47621.89 21598.87 35030.26 36091.4 25270.93 29589.96 126771.42 37568.53 10671.85 157748.98 97329.49 73354.04 35068.17 172171.19 70151.3 55204.55 39543.4 15313.41 40559.85 72136.6 76848.02 70114.28 70739.82 67943.88 68060.16 75955.55 69712.28 72691.02 Lys-Thr-Ser-Asp 1801.95 287.34 1189.1 885.07 3004.75 939.97 1877.78 8577.69 15394.03 2059.27 14447.42 3939.84 647.64 302.54 6690.62 5710.53 499.25 2751.12 3756.12 5014.32 1446.04 256.7 2133.27 430.44 6282.52 4080.87 5006.9 6680.69 1524.31 2704.4 1174.93 624.69 1177.7 6883.65 12100.77 2218.51 1344.19 494.84 4186.91 17074.38 1568.21 774.58 8863.66 2209.35 1040.18 2686.08 599.19 1747.01 1216.27 911.95 8585.37 3214.59 10722.23 18263.75 290.69 2020.18 299.6 1076.72 554.14 331.21 4469.76 1743.88 5361.49 17266.58 5467.56 5189.53 772.96 394.4 1977.48 5106.75 565.36 326.98 8737.57 11576.63 4070.63 4798.6 4964.33 5963 4387.35 4144.34 4929.78 3832.94 3904.53 4306.56 Tyr-Phe4Cl-OH 727.04 496.52 5766.63 5848.85 3363.36 3345.01 517.28 2502.04 2965.4 2995.37 5299.34 4483.73 6227.69 5557.49 2550.76 3398.83 5115.61 380.19 4035.11 2513.42 3139.15 511.95 5743.58 5446.7 741.78 373.88 3245.03 650.55 894.16 1612.01 896.84 2215.19 647.83 3207.64 4349.85 555.9 1592.18 1405.33 7185.61 5353.18 726.41 3474.66 5464.12 9874.56 2838.62 3658.04 1749.11 1892.63 5124.93 4201.42 7095.36 8797.65 6774.84 9287.05 4517.16 8188.51 5127.32 5582.1 2243.04 4321.37 13176.55 11465.65 8022.82 7946.43 5294.25 5792.79 2869.36 8504.06 9136.63 8924.2 1359.4 5721.01 8911.88 7142.28 13457.89 6145.4 6941.2 7093.84 6981.18 7092.03 7228.13 7091.42 7289.99 6939.42 Abu-Ala-OH 25428.98 47020.06 8938.73 17259.12 25046.24 24959.82 15389.56 21781.02 22480.99 15561.61 17650.23 18818.89 1590.79 25258.75 32920.51 23809.25 17980.53 90112.56 23541.93 118127.18 17431.53 9800.01 5950.37 7575.72 13420.78 20590.11 16227.78 7481.11 32712.99 3741.47 65475.46 95887.64 9568.28 1732.94 4201.87 23449.6 11451.6 9878.65 8129.3 4892.15 35982.6 43600.16 6881.16 8186.44 45190.75 15104.46 26345.65 13480.02 10801.68 66613.02 20122.62 31718.82 5863.2 14326.32 17066.59 32745.87 3128.92 3977.5 8378.94 6374.93 2546.19 819.78 14685.31 1274.1 11400.14 23177.28 62334.34 5436.34 11630.59 11664.36 10905.07 7076.41 7419.37 12706.71 9418.52 21918.77 22700.59 22158.49 21734.81 22174.32 21907.85 22062.13 22170.27 22161.18 JWH 007-d9 4184.48 13688.5 21237.33 11656.72 92942.76 30840.62 19761.11 39724.37 7150.51 1854.08 4934.61 46613.75 41195.2 6535.16 29515.43 10289.67 20421.36 36108.65 103964.91 17427.11 30241.55 36196.92 31795.13 20373.98 21359.28 7092.77 2396.54 1263.97 63769.55 18506.61 6654.48 34010.66 55468 33460.03 14968.06 64018.9 21335.93 20089.42 11182.2 4142.16 7354.09 9003.24 19709.22 6406.49 26170.77 8005.93 22182.48 55773.17 65350.32 27601.92 47013.59 56934.8 105352.45 30145.75 34683.57 17214.25 36797.97 686.15 35882.98 4811.91 39756.49 27457.66 24258.41 43060.07 29629.98 38154.79 9039.93 1296.56 1795.2 49637.68 9451.32 4371.33 24543.5 15120.23 17296.59 34463.46 34942.76 33667.54 34063.45 39890.33 35407.91 34521.51 35362.9 32978.27 TyrMe-TyrMe-OH 370994.1 85107.13 21870.8 21568.36 431464.25 97395.35 42842.76 585796.57 577839.11 1498.37 61174.16 123448.99 52631.74 11737.15 322846.63 158388.39 66712.89 408784.61 3531.14 1079827.24 430429.35 30244.37 32485.72 517.37 441737.81 197792.2 32193.86 110996.56 644539.12 126535.39 751420.04 181358.56 185289.26 43480.23 27975.14 326919.14 352643.13 55489.13 25671.91 72948.62 418202.16 460116.15 30045.86 24603.43 360932.28 1353.22 762099.21 39539.6 136301.27 375675.09 191186.89 68834.02 38045.79 25918.48 190991.4 55991.78 16376.86 16224.33 312116.14 1157.93 390.78 20056.51 88763.12 45019.27 127599.83 244082.1 242513.35 8156.05 123028.85 399106.84 445193.45 85429.73 213749.89 1353.23 65986.9 209655.16 210614.42 209373.98 209671.29 207266.7 208677.07 208874.02 209071.21 208673.67 Aspartylasparagine 32338.98 13204.26 1709.3 1641.71 20514.13 6576.96 4016.91 37110.62 58648.18 17515.33 12413.32 34366.19 2761.15 21812.82 51395.53 16019.18 5557.59 43057.51 16969.69 75334.27 55890.89 3036.62 13356.47 24379.7 57154.03 32955.37 31322.19 44049.26 94089.48 39991.91 76899.99 30535.2 31937.19 13678.69 12146.52 60273.42 45494.12 7574.01 13459.84 14628.54 55406.43 53338.14 6267.18 9544.94 45757.25 19861.31 56714.27 20828.81 33071.11 36486.47 28470.43 22657.71 9946.03 9855.93 39778.04 14953.06 7032.05 1300.38 49219.07 4570.69 12629.98 3995.62 12052.07 8785.94 37376.51 27546.26 38396.5 36348.99 35939.37 50247.55 27058.41 30532.55 41723.66 6996.53 21512.29 291370.73 315915.0 157282.63 179227.87 95828.37 150749.48 176182.23 104851.07 68268.05 146032.82 245091.95 237624.03 83688.57 131443.84 258048.07 47942.16 255619.22 250845.17 313020.27 237247.01 193924.26 202465.86 221673.07 201415.02 197875.7 26902.14 25615.99 27801.89 28545.71 27775.91 27869.28 27343.44 25522.16 26301.85 2-Hydroxyoct-1-enoylglycine 53084.5 66646.25 26800.16 22600.9 23732.84 68409.07 22135.09 60430.79 93222.88 52993.72 45952.72 45795.71 32854.72 27222.88 66223.73 36592.35 26468.41 41997.41 41143.02 61748.88 64714.19 41984.52 43473.65 58835.56 59463.8 76210.04 38469.2 80250.04 56004.01 22223.13 41468.79 14739.59 53676.25 34862.61 31096.63 79021.75 43158.66 73549.47 48237.97 25439.85 45685.88 77992.32 30330.54 22709.16 83521.23 14869.88 56287.26 34175.99 61708.32 80029.15 39292.23 49048.92 35331.43 71866.1 32429.71 56750.06 18726.61 18341.84 55061.87 32079.78 26982.89 28690.94 40397.64 30237.36 28409.89 49473.33 59055.64 50314.53 33547.14 66222.29 83234.02 37135.96 31899.12 23993.73 23035.31 54451.25 48845.08 47761.33 47305.76 47211.41 47934.39 48861.4 48841.19 47565.56 3-Hydroxy-8'-apo-epsilon-caroten-8'-al 4651.95 3905.31 7694.49 4001.87 6123.57 3536.54 2772.27 6344.2 5729.36 1640.59 10470.38 3159.56 982.75 3010.64 6503.42 1209.29 1052.95 2060.7 4435 6602.15 5868.51 8281.11 2744.9 1047.9 5428.08 4207.21 2182.95 4648.96 3461.8 4642.48 7112.88 4652.15 7285.93 5267 15698.76 2911.01 4307.96 18029.43 4637.46 15616.45 6563.1 12032.71 11227.88 5195.75 4591.53 10869.57 2956.92 1308.04 2458.41 8377.79 1649.99 5110.25 18333.77 11380.11 8771.57 1665.09 1760.4 2214.02 1342.01 3052.36 4222.74 19235.38 1346.86 14250.46 12852.77 7493.31 6768.58 1407.7 5671.27 4357.5 6529.88 1608.9 24447.28 19825.7 17424.8 2593.97 2825.21 2793.93 2803.13 2745.72 2565.04 2781.67 3002.47 2359.29 (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid 25079.66 24687.27 12266.94 15137.72 44338.3 37271.75 32693.85 31827.55 32503.38 13826.78 14019.22 37066.2 21925.11 10276.02 41516.99 34180.99 23669.57 120568.72 71102.48 413768.66 31178.55 42332.42 12692.37 9883.66 27351.45 29852.6 12107.7 7973.85 44810.43 5232.48 59554.39 72218.29 15476.78 7297.43 6027.17 10089.62 21032.32 13577.07 8705.29 2723.53 75297.39 20691.72 4276.95 4535.17 71174.86 125117.21 22257.82 22506.32 15220.16 25002.82 9604.26 13609.38 11527.22 14683.39 17255.28 16272.26 12489.24 2794.43 16724.22 10542.68 7054.97 8015.24 15113.71 9675.42 5019.57 27529.08 22669.5 12528.18 9471.39 19826.6 20243.11 20935.2 5471.41 10941.28 25573.6 35162.08 33308.15 33069.53 32772.87 33939.14 31053.91 33060.01 33072.41 33556.3 4-(8-Methyl-9H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)benzenamine 22065.92 223309.45 1259179.32 400493.3 136092.61 4616.15 179898.36 160912.91 143509.43 225673.54 277402.91 266990.55 334530.69 519367.56 428857.68 28619.73 350913.81 427132.1 90613.88 43336.09 56598.88 76465.3 480968.35 633468.64 236170.35 233087.2 307556.19 265158.64 181040.56 28056.35 230320.57 86423.43 108784.39 515233.86 605716.57 194443.72 281571.19 97338.6 220102.09 495601.96 33621.98 97185.97 423472.16 348968.82 149217.62 222977.74 241457.3 308841.26 106998.16 166930.2 173770.83 347691.92 409479.77 188009.19 279574.52 595351.08 1871365.52 767342.79 162030 5063.25 141656.88 462334.72 581995.21 268431.11 468421.25 396889.44 213512.51 323356.35 490896.03 254784.34 123940.84 206962.39 183493.24 131797.24 22743 360692.36 357491.35 360103.11 354534.39 288410.9 355505.29 344923.89 351793.73 359931.76 (1S,6S,7R)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid 280.19 956.65 2270.89 472.59 879.63 24812.8 754.45 1004.42 13573.13 612.64 474.58 492.58 384.24 303.59 2501.33 991.54 3950.27 2081.69 1174.35 816.73 992.13 27348.35 149.91 277.96 5016.16 591.05 1059.62 1979.79 972.06 815.49 930.54 2704.79 2265.57 8031.38 2082.67 500.81 4585.83 13984.88 116.32 1919.13 1648.92 2472.64 2337.15 1167.47 469.18 1866.16 161.33 128.29 917.27 1216.68 2302.03 727.25 1677.43 718.22 4150.31 198.82 3620.47 759.08 3298.28 12687.67 1542.21 2771.01 1910.23 247.81 344.9 4094.09 2787.49 743.16 600.1 10190.32 1245.01 3030.3 5542.39 311.31 510.85 3899.23 8822.03 8675.05 9319.84 10032.41 9344.12 9348.65 8582.74 9379.93 (2R,3R,4S,5S)-5-(1-hydroxyethyl)oxolane-2,3,4-triol 15960.15 35436.59 1494.47 13280.92 23971.7 30521.77 17827.97 29959.99 37153.16 34103.43 74512.37 20687.66 15672.93 17976.63 15301.92 37703.37 24451.98 29632.52 28412.15 15599.09 11963.06 6279.59 2303.07 19891.38 17032.72 32436.42 15123.6 17143.19 29228.04 2899.06 50899.8 20982.04 7701.25 5408.4 419.96 10776.18 25847.12 38324.19 6117.4 14667.7 21722.85 11541.18 7585.09 21796 57051.47 13068.07 19091.64 14748.53 5672.01 29210.29 7053.07 17703.29 25156.42 27634.35 9262.96 10083.79 889.95 13427.87 24331.76 2649.31 3112.9 8821.13 6239.03 16790.38 19080.04 17003 18700.08 12006.27 24103.17 17002.28 54445.76 21258.37 31742.01 20200.43 8709.21 25862.1 26859.34 25377.16 26107.82 25812.7 25839.22 25579.1 24978.89 25745.16 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate 1963.33 9192.61 6265.31 7434.33 7756.09 7124.73 8433.59 4939.98 8428.47 1978.25 8350.16 4347.07 884.06 2931.96 5799.36 10517.88 8932.53 7629.1 5380.76 509.51 8668.73 3401.25 2430.03 3184.43 2861.92 2967.95 2598.41 2493.61 9255.9 1278.77 9011.43 3380.97 5917.37 1890.82 4640.48 2157.54 5414.7 4025.32 1773.73 3856.85 4037.68 2258.78 3545.56 2156.81 5453.31 4729.26 5609.17 7229.31 1648.01 5698.87 1285.59 1764.48 4922.93 3249.59 3785.82 5534.32 7371.19 7124.89 7864.71 6002.15 4227.85 2171.5 5251.54 6764.72 8216.52 5216.34 12924.74 6070.93 6487.14 6073.02 4199.48 5737.43 7616.19 5732.72 5856.11 5790.78 5643.12 5749.99 5639.63 4838.56 5644.4 5632.94 5877.41 5786.82 inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine 15267.13 1598.89 23713.72 4611.45 5047.05 607.26 6835.65 14438.19 9192.25 7066.2 19456.65 8978.65 6817.25 13522.3 9591.83 4646.21 2348.11 13617.41 24946.41 4713.53 15008.18 4733.43 11027.1 7738.57 1944.15 8981.19 8998.19 6166.77 23340.18 7633.29 15959.74 13718.55 12372.75 2060.41 8327.67 11081.77 16605.7 2549 10169.23 8343.41 14451.06 16233.69 11961.34 4785.9 8962.35 33581.36 11290.84 15833.51 6800.63 8191.55 10413.8 8524.61 15366.01 5031.56 9738.54 8854.42 621.37 7160.39 14366.98 11798.08 1557.69 10880.46 23068.24 13936.89 6557.39 7084.74 5070.64 6994.05 6772.49 18502.54 4698.25 11067.2 2463.92 4112.15 706.64 16078.32 11973.06 13302.25 13285.44 11859.14 11667.46 12922.92 10227.59 8638.98 Asn-Arg-Glu-Ser-Leu 21302.05 49509.99 15157.63 4875.81 31434.87 25369.36 1417.59 26910.13 61666.58 8210.76 20704.87 20894.48 9236.28 8315.16 65587.55 37427.72 3741.71 43561.92 57019.44 75701.74 95971.21 18631.9 11956.94 30726.14 62857.09 18934.49 9760.76 8921.19 62063.19 2307.23 85526.79 41625.66 31570.21 5429.31 10517.64 28980.21 26390.38 1038.21 481.46 4837.51 51815.24 38496.57 19156.87 10980.87 47817.48 899.41 52057.02 42672.94 3568.83 46440.67 1835.38 31318.23 16493.26 17592.27 22965.45 53616.37 3150.57 6983.79 26163.42 10782.59 5530.62 1575.6 41432.67 19959.35 19756.38 46171.95 109844.78 11141.34 17515.25 57590.79 18812.16 32184.33 12755.64 16528.64 12183.27 26766.94 25772.2 26872.98 26249.74 25897.52 25920.55 26798.75 27470.44 25747.82 TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 18312.02 24345.97 13583.75 19719.16 55221.69 32359.32 6911.14 16347.74 26267.59 24158.39 14868.31 18619.42 11849.73 19756.06 8466.96 7621.67 23799.31 22949.74 23516.75 23863.11 31775.97 11732.85 22491.61 27420.47 38728.74 15698.73 29009.69 24006.99 21494.23 39318.61 13052.37 9995.53 9662.23 29812.32 28373.35 46898.58 35905.58 18431.79 29118.16 27835.02 11303.68 33648.87 25115.15 25302.02 12821.5 17157.71 32589.48 29522 54326.38 31440.38 80322.59 45564.02 15080.29 16593.16 24337.64 27370.58 23402.99 23706.42 23773.91 27401.95 25568.36 40487.02 24274.33 29081.2 48471.78 21846.06 12278.93 35376.4 31357.75 42539.17 30230.81 21946.04 11536.24 26084.9 25490.13 26570.05 26564.48 27587.31 28126.67 20192.68 28061 28069.95 31537.49 26760.35 [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 7119.25 8119.14 12827.48 1753.18 13848.31 13953.49 6736.26 6533.29 10770.47 5446.53 9584.48 4734.94 16403.72 14352.84 10477.91 16847.48 1579.07 22965.18 7788.3 12093.47 17108.48 8803.38 5402.56 7832.17 38796.45 16163.05 8946.19 2934.12 1476.7 3979.75 14812.12 13304.73 27700.52 8582.55 8093.5 9059 8378.91 14362.87 5399.57 741.22 14700.51 2206.39 9800.89 9995.53 26483.37 15514.5 35105.78 12132.17 10924.89 5830.69 13317.84 7767.08 23659.82 2994.91 9390.4 18788.7 5379.7 3011.94 18232.92 10000.92 5599.49 1068.2 33655.36 7314.65 7649.93 30074.02 10263.26 6276.81 6161.96 14222.29 10440.2 8019.83 12174.07 3321.36 1781.04 9831.69 11189.07 12740.6 12616.97 10378.97 11616.39 9033.53 12208.03 11917.13 1-Linoleoyl-3-arachidonoyl-sn-glycerol 74729.84 61690.88 105749.76 79234.79 61537.64 112238.33 83832.4 71770.03 84318.9 68106.52 128427.79 36534.48 64795.95 47913.74 69158.46 140474.49 63370.98 45753.53 82101.06 61733.77 72308.23 54814.63 85025.08 77915.77 41480.72 43282.77 62351.2 65762.73 46482.54 61973.12 50741.99 76858.32 66924.24 166931.7 89372.82 20483.23 59567.13 44612.76 77044.97 66613.83 32543.42 83845.64 104795.65 66009.5 55221.06 75907.83 52069.06 51865.09 74680.49 185377.06 49943.37 49368.57 63202.92 102906.06 59606.18 54099.78 28847.68 50064.04 48817.19 27219.55 74975.5 50311.61 86416.91 102971.89 105681.42 98850.19 60065.29 53936.16 55235.07 110332.41 89069.72 69301.57 123893.52 81349.19 107928.31 78819.19 79724.54 80768.79 79663.15 79741.68 78776.65 76505.73 79760.49 79227.84 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 16418.76 12831.44 26273.5 23684.59 40560.58 4389.96 2500.19 21540.54 22312.35 11503.12 23318.91 6003.96 10862.08 29615.84 19187.2 84984.8 52580.58 25118.82 11980.96 29053.05 32837.22 26135.97 55101.84 42553.44 35957.92 17370.54 44165.99 40493.48 22631.39 48388.03 27413.66 22158.41 62902.58 22778.02 43410.91 21356.7 82966.35 63727.24 56610.76 45359.29 60878.27 28005.91 30028.33 61211.05 33462.53 23186.9 22678.56 30902.2 26379.27 39863.8 41331.62 37770.7 41363.49 40585.65 54929.81 43590.84 41731.37 56767.66 34775.47 58632.33 63400.91 29315.81 28396.79 42793.28 38822.86 49405.08 37245.51 41096.95 39682.49 43298.6 55403.74 64882.22 65044.58 65607.43 40783.86 38143.22 39962.58 40468.19 40083.67 38288.42 40077.42 38437.06 40524.16 29426.52 Leu-Tyr-Ser-Lys-Ser 131271.48 207419.47 196762.09 116254.34 144156.18 208472.64 108239.85 133668.93 122764.5 155198.72 129502.11 141906.74 155458.29 89352.28 123649.5 171537.06 189449.74 96022.57 207026.77 80501.27 176868.55 108961.78 200733.42 309454.02 157294.54 151344.55 259108.21 194475.74 363917.64 61588.35 39850.79 94947.9 367267.93 174201.13 185573.62 124366.42 129121.96 203603.84 152048.03 186556.56 87426.48 113583.34 186136.57 238675.66 217967.29 76966.21 174515.33 191811.75 185534.97 170494.36 105347.5 205956.84 179878.28 157240.17 117329.11 315083.12 140283.75 129383.61 246449.84 170310.91 182516.6 164429.15 170398.06 185412.43 141621.21 99007.63 218684.93 187589.84 189978.16 230180.4 172183.73 177207.32 137764.93 179140.59 105855.37 185315.49 189091.28 179305.53 179659.81 185448.05 179315.45 180034.72 185379.83 176111.84 1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycerol 6159.1 6500.97 16186.28 25159.07 23477.09 34986.32 37621.95 6199.49 5096.49 11504.35 13114.41 13583.04 34163.67 14191.18 4079.9 60284.1 19149 3661.86 18711.99 2920.56 6305.28 27267.61 20774.98 3053.64 8347.88 1310.23 10349.88 18181.39 6067.9 3568.44 1965.19 10541.84 4238.98 12579.6 24561.51 1283.5 2360.26 10093.71 15182.13 9383.26 1421 8257.87 13082.07 18956 6722.42 21042 1554.71 6939.95 15882.62 34148.15 6591.79 8150.51 9595.2 8561.43 9338.81 9683.35 8229.69 3244.07 591.21 10933.72 13812.23 19673.94 1914.52 9818.47 1130.47 8205.11 650.96 20600.77 12156.68 6358.29 697.68 7012.06 8944.27 10522.35 27301.38 13258 13572.21 13042.51 13551.56 13350.44 13610.33 13559.17 11867.79 13615.86 (1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one 9219.93 12260.42 1710.12 3386.83 4624.96 6520.53 1549.13 34230.7 18645.91 19316.35 6633.4 19256.3 2609.46 5262.21 17348.21 11336.13 6243.39 14806.75 11730.4 28083.82 22731.6 12662.66 3955.24 6855.02 15351.08 48334.44 17001.98 10331.89 71854.57 5774.37 9097.96 5817.57 10992.52 2335.94 5632.41 9592.21 13853.89 9730.44 3707.74 13163.3 11106.58 30456.86 9596.65 8171.37 25980.96 1380.83 4742.47 8654.69 5495.54 12678.86 4964.54 7732.91 6752.32 8348.64 11393.74 8362.66 10292.08 4912.67 10807.85 2171.86 11538.31 1322.81 557.41 2137.76 1821.47 3106.06 15012.6 9833.42 22588.05 21463.87 3931.21 17083.28 3708.07 7218.84 2187.54 5863.64 20516.38 16786.21 14709.95 16663.33 20986.43 14535.24 15609.97 15035.42 (2S,3R,4R,4aR,6aR,6bS,8aS,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate 34972 47718.44 50343.03 26519.9 146238.52 106430.25 70381.82 91221.5 62321.56 51575.69 59961.02 93796.95 124665.21 60138.95 32095.68 97023.13 31560.07 22451.25 100232.12 47259.32 52945.27 48138.98 138938.18 104829.48 34810.63 83945.03 51923.79 121304.74 42436.46 74557.17 39034.13 65284.69 31642.79 31975.54 86018.53 63798.47 50513.54 60902.84 70940.3 27025.66 44696.48 105336.89 59935.95 89318.22 48143.52 31636.21 82130.1 104701.45 100272.25 117420.89 178962.29 136547.27 137689.41 129607.21 98014.08 47788.44 36819.76 41611.95 33110.87 48516.02 55614.54 154214.61 35497.27 67048.13 61598.09 109826.41 129775.59 94589.47 69547.98 32409.36 45906.16 44579.6 79757.98 79550.79 64717.2 8934.58 18104.73 8800.94 9912.24 9376.24 9414.92 10241.81 9662.8 9351.95 7748.85 8258.94 9755.94 9649.79 8971.7 9718.59 6935.16 10725.77 9362.38 9649.27 9258.34 9370.04 9908.61 9342.58 9653.79 9987.83 103283.22 101439.01 98170.35 101592.06 98437.62 98407.9 99720.73 101691.62 96905.62 Val-Asn-Leu-Pro-Ile 82530.79 228241.65 207406.21 78654.72 126024.15 34590.78 30116.75 55431.17 36252.58 93971.12 51838.45 76444.94 221869.35 63996.74 62861.63 68159.65 79917.83 111108.05 56735.97 29139.12 37527.69 1628.65 276260.42 29087 81133.34 64651 51163.34 16627.93 81149.03 11755.53 17737.23 132760.64 53549.36 57356.76 67312.67 18806.99 5142.3 23301.37 5586.43 43313.61 39963.42 72311.59 39017.37 3221.85 36495.25 11959.88 118643.11 86621.82 33157.9 117873.47 36717.67 177376.11 32501.4 24522.04 9946.96 68778.47 39696.74 27666.72 36540.28 68241.89 56509.24 53690.08 10603.07 55084.63 44444.74 238925.34 81070.13 35598.08 32531.07 89574.9 20911.39 202438.89 53952.18 84853.2 17129.16 93004.95 61653.98 80146.61 95779.28 116722.79 82168.05 95714.59 115032.68 90206.49 (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2E,4E)-3-methyl-5-[2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]penta-2,4-dienoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol 23778.61 81789.96 9924.79 5827.37 64804.34 47344.63 3695.32 37919.1 10730.75 5639.64 4543.68 29202.02 80116.08 19407.85 73608.26 81126.18 52064.33 64439.42 91798.74 72722.81 91205.8 35039.21 34079.1 104970.75 33560.76 28649.22 22433.57 18853.25 64784.09 6502.42 17972.62 49556.29 13788.23 4291.98 38737.93 44919.25 13961.77 8916.81 3534.2 35427.29 78895.95 71636.43 68882.47 55777.94 64776.63 15528.35 106009.08 48772.57 12249.96 69279.23 7675.37 51836.88 23860.66 68913.24 49733.65 159809.4 23369.08 61813.45 58050 42399.04 39583.01 8733.49 65235.38 42745.29 40577.8 76701.92 161092.55 24668.53 83424.62 37909.45 28124.05 30797.14 42782.23 27420.9 4096.29 70187.8 64593.84 64677.14 69455.1 64141.05 65441.94 77462.22 64868.57 66833.14 1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glycerol 41459.76 31078.85 18725.63 60646.46 81009.2 38295.17 22534.21 23602.44 99959.48 31893.77 24210.62 5174.94 17671.41 84284.04 81212.14 12592.45 22300.7 21237.27 30083.73 24404.54 59748.62 17382.95 65900.88 68968.58 58103.77 34765.98 35094.23 33095.85 54927.81 24014.82 16706.01 41671.65 27113.77 43870.3 39201.5 72729.01 32462.47 33959.33 55662.82 37038.76 26676.13 71458.5 15572.76 16174.59 44980.08 59329.42 47324.02 71544.15 17615.04 23509.78 52504.84 17358.11 55848.42 41655.29 45805.42 36307.01 39901.95 33658.58 16295.4 9936.99 30166.8 22331.97 84355.19 36203.54 34869.58 31190.43 16774.73 36631.07 12628.68 49693.34 48490.34 39488.23 71595.77 50610.46 46133.66 51063.05 52997.94 49918.84 48461.3 44030.64 48937.93 48842.8 51139.2 28260.82 TG(14:0/14:1(9Z)/14:1(9Z)) 14751.31 5655.78 11136.88 4629.01 21778.95 30320.42 6002.43 21977.77 27159.75 9895.72 5236.71 27646.95 21595.64 4255.32 11101.73 15693.54 2558.2 12063.98 11127.21 9544.53 21272.31 21514.98 9200.97 7864.66 12977.3 11375.82 10112.14 2719.49 10916.14 9814 9822.69 17257.8 8800.12 17204.44 9800.29 9566.04 11661.87 11740.06 7627.28 6707.71 7543.19 20631.76 9128.07 4088.31 15784.01 9412.57 13358.95 12990.84 12154.67 13451.02 11586.69 16391.39 11113.58 15009.46 15254.74 13534.05 10017.78 3198.67 2904.24 4221.86 7138.63 8372.09 9730.07 8975.89 5982.61 21919.83 10299.23 7985.84 4605.88 13389.29 13106.1 12822.42 6816.38 8276.05 15201.13 11590.51 11649.66 12194.1 11623.06 11635.58 13861.99 11958.72 12434.97 7646.08 Leu-Ile-Tyr-Thr-Asn 44691.89 138329.9 57535.43 36821.5 58044.14 114949.66 29958.49 58701.43 90529.99 67401.16 38905.52 82189.62 142729.23 49143.97 103519.9 69328.78 70249.96 89097.56 149024.84 122680.37 129656.24 15324.3 69387.14 134435.42 98021.17 87861.21 84050.68 114575.93 222045.79 10166.29 89526.09 81742.24 153047.12 45436.27 62717.45 112421.19 21035.43 54544.52 52249.83 59341.5 116991.42 122523.09 68546.71 54823.51 147065.98 55383.99 142102.8 71229.21 135364.15 229903.42 45585.07 137451.33 93474.42 133844.31 53561.22 116366.1 14331.78 27402.47 86220.39 44640.86 46495.74 17367.68 63339 74801.62 51285.71 103722.25 221063.1 69087.55 78835.71 95836.82 100280.31 71740.89 52090.29 67670.04 17683.7 86006.37 88580.89 89610.23 89704.63 86066.04 89656.68 88717.59 89022.84 89582.47 Met-Leu-Arg-Ala-Ala 15373.29 35850.03 8104.91 8144.17 46612.13 21979.96 14933.46 11067.36 3624.66 24989.73 22792.43 21745.74 25612.58 17590.11 18272.46 18553.39 28665.69 10651.53 29716.51 10829.61 25566.54 7958.81 33849.73 27296.52 25580.83 13660.99 28448.56 29234.86 25524.4 2088.27 18241.14 16494.45 76652.56 14611.39 46007 25277.23 19089.05 34906.46 28363.51 46399.87 15655.82 14678.97 38545.66 20162.07 6340.05 8333.32 25395.77 20117.94 23281.17 33843.14 34837.69 45206.25 27654.09 38206.93 19111.42 39173.15 18296.02 16690.21 59425.06 43953.74 50767.95 28627.57 24786.9 36672.91 36856.25 15067.71 45839.42 18509.2 23116.18 19413.67 16209.95 56558.31 15654.04 5185.31 4653.71 28112.34 28077.45 19579.24 30018.71 30600.16 29808.96 30038.45 26904.82 33433.26 28-Noroleana-11,13(18),17(22)-triene-3,21-dione 16676.85 4286.46 6657.33 4057.47 9156.1 9842.86 3800.94 7225.38 6843.93 1478.94 7118.47 28357.15 5017.08 4922.79 15159.12 19699.5 5850.52 9774.11 10385.26 16661.6 6609.38 27800.03 9728.99 8162.35 1833.19 3088.12 15020.38 4681.03 8958.37 14321.41 4191.03 12615.32 7778.53 12438.19 8106.58 27908.41 11201.26 8179.82 6337.35 16706.22 1936.15 56093.84 14252.53 3578.6 6290.5 16909.6 22679.77 5326.78 11554.1 14371.32 16335.78 918.55 2362 3924.9 4292.11 1940.36 1119.76 1093.5 3455.79 2993.45 3076.08 1548.09 3682.69 4535.78 4658.49 3604.65 4462.35 14822.99 2053.53 7893.4 15477.8 7180.05 3269.1 8015.3 9950.31 5612.1 6726.41 6781.82 6768.59 6747.69 7232.29 7118.32 2044.66 5895.3 TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 41353.84 12758.15 20805.45 17592.63 29358.98 19708.58 3912.66 40784.68 25745.62 47098.51 9981.05 36827.93 14927.4 32283.79 11554.52 28257.27 6632.89 21971.33 15089.17 10950.12 54832.93 28101.19 22744.28 22404.12 36891.46 38562.01 32929.71 36409.56 43187.91 39165.16 37264.17 18177.6 30059.6 26990.55 33402.64 30322.03 5082 39814.84 19948.17 22080.34 29911.98 50176.06 35594.35 34201.6 21803.65 2455.5 32191.77 20266.14 43766.83 12785.3 46407.46 40161.81 22322.17 33667.39 35415.31 30708.87 6548.85 21590.6 27435.42 18696.94 16778.53 23145.17 22900.62 32226.23 19965.26 36237.79 38676.66 30534.64 13335.54 24667.37 43996.08 9574.09 20041.95 10058.77 31739.53 30879.71 28403.38 30195.99 26988.05 27803.03 28230.52 30209.32 28608.09 30250.39 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid 1773.11 4122.57 943.01 1317.34 720.51 3378.69 2515.7 1370.45 3370.07 2067.91 2132.94 4170.04 10687.01 6150.94 4842.12 1522.24 1756.27 24126.37 8717.52 27678.91 5835.92 2455.19 359.1 988.08 813.84 864.25 2430.67 1027.56 5837.69 6999.99 26338.58 28958.66 1127.23 310.07 1083.94 2229.56 5231.47 3783.99 1546.55 554.85 44074.65 9931.14 2792.21 747.89 20532.18 1241.8 3209.63 1725.58 1786.71 10629.74 5307.28 13425.19 1766.05 3965.79 13202.66 7876.94 387.85 696.9 1533.5 2269.33 1817.36 572.75 3563.96 2216.75 1878.17 9285.72 25576.76 514.18 12133.94 2414.08 671.76 1526.84 550.02 2305.7 1902 6523.68 5617.09 6600.97 5980.32 6233.56 6657.67 3551.77 6530.18 6854.14 Ala-Leu-Thr-Asp 699.53 1220.96 579.3 866.43 687.28 495.45 935.1 454.68 2768.41 11651.65 497.41 516.42 59035.82 1280.35 1586.01 1606.23 426.66 7338.72 7638.65 10297.63 601.8 547.97 669.14 477.84 942.3 1896.3 407.87 661.42 1557.98 1513.68 849.84 1538.08 2168.77 2264.74 418.94 1068.83 774.87 634.32 1761.13 702.99 625.51 1341.18 1308.29 1475.64 1022.15 994.25 1005.85 1108.56 1000.32 463.04 1060.71 425.12 786.7 745.3 2411.16 1405.28 728.59 637.8 631.5 1247.13 1593.75 1780.11 1076.54 1202.79 1940.54 1386.97 814.77 1672.16 1518.46 1151.89 3204.78 1020.33 1370.96 728.33 667.77 1211.46 1273.53 1350.58 1306.43 862.44 1247.69 1239.1 1325.71 1420.02 (2Z)-2-(16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid 1716.45 37816.68 43973.08 48822.09 41508.23 116853.64 2687.67 27009.56 13221.7 29784.1 36013.62 47586.07 351179.48 43840.67 50541.54 101019.57 29357.83 46195.7 47014.53 946.64 18229.86 28073.12 37850.49 43815.54 33177.96 27227.34 45448.69 79968.66 48743.77 24141.29 1398.13 55585.24 54329.53 182386.35 59879.75 5943.48 32169.28 38906.81 41852.88 40388.92 26771.7 68579.53 34964 21999.81 34895.79 202181.49 46927.51 33265.35 14771.22 59856.82 27943.89 23915.56 37905.79 65081.44 668.58 16062.11 26439.58 23814 43736.25 88640.44 48104.71 31637.34 25657.32 43679.24 37196.96 39027.91 27911.68 16578.15 29244.02 54860.69 34475.33 50874.26 28384.41 53995.27 29223.43 52679.46 50568.73 52766.85 50432.24 53189.48 51180.1 50763.36 42751.01 56580.05 TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z)) 32810 4911.12 29308.16 26515.56 45893.07 50488.13 9510.32 25884.32 55568.62 59509.01 14751.9 20300.31 22879.83 33416.54 35199.94 17543.37 8943.11 24069.29 42403.84 32140.49 31040.11 38028.13 62482.2 20761.98 46708.17 37064.14 12975.42 29902.02 34201.68 44841.15 31024.57 32468.48 23547.99 37048.67 17466.05 17759.97 6166.7 57651.95 8083.64 21926.23 35654.26 41261.87 22376.75 18301.1 35894.13 1744.9 57681.41 44455 37126.26 26195.16 40181.66 41481.06 21561.67 18759.98 42939.44 22654.88 8386.42 1178.21 26888.01 33989.1 22551.64 27571.44 29437.55 37470.19 30422.36 31174.25 22147.84 30526.66 9886.07 48589.72 38711.27 35158.7 34514.12 21374.28 40252.98 24639.93 23631.6 21131.22 23237.96 23866.3 25213.01 26001.96 20991 25863.59 DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 17403.56 16941.87 6974.16 9922 24968.68 53954.78 31209.27 4487.22 8890.45 6742.72 4127.35 5186.99 6983.53 2630.24 8266.73 7759.4 21151.95 15611.45 5786.95 5512.13 18778.22 25601.26 7127.19 3838.16 2653.74 8054.43 5107.77 20733.32 11224.03 37233.31 11442.1 2790.55 13487.05 17883.57 16922.03 3337.64 17388.91 19143.64 7856.48 9262.68 25766.66 6528.63 7256.49 26283.49 8866.24 18062.83 5578.35 12842.47 4886.17 6205.95 14932.72 14380.18 21802.03 4932.31 11680.68 5070.55 13198.95 4533.62 12446.06 11668.8 19688.61 4213.11 7229.8 7364.82 1444.19 9706.92 12554.46 11700.96 6726.97 11994.11 23432.41 10492.44 4428.05 11100.89 22802.86 16813.38 16583.12 16488.24 17071.5 16217.66 15133.53 15501.49 16578.23 15193.52 Lys-Lys-Leu-Phe-Tyr 5681.37 5534.96 4551.53 14531.59 5583.64 2708.58 9381.55 22829.03 18875.25 2351.78 1296.33 5876.37 4644.31 3868.32 1144.13 8451.76 5218.6 1757.03 12089.85 2264.86 7414.84 2161.93 1209.05 2341.15 4748.03 9241.22 2016.36 3960.96 2679.58 4110.98 5393.28 11436.76 2717.73 772.49 4178.17 3038.83 2730.13 2737.7 1319.63 4050.75 7742.75 3857.31 1454.07 1590.62 4198.25 10312.88 10397.66 1197.88 5955.78 6936.29 4343 2348.46 3692.78 7978.81 6773.5 5811.86 584.63 3655.72 5575.52 1399.53 1187.88 1789.16 1027.67 1894.1 2454.27 25846.55 4592.08 3963.1 634.64 4123.14 16863.01 5427.79 1714.57 11571.33 9768.41 4169.71 4310.41 4375.38 5585.59 4900.18 4045.92 4701.84 4360.94 4369.61 TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z)) 2065.34 5136.73 11979.71 854.01 7176.65 3267.59 4541.72 2170.76 1564.13 3849.74 1231.43 3220.84 1070.08 1635.48 1440.42 2881.84 3451.25 2958.57 4858.59 3228.46 826.21 2659.23 2126.25 1504.87 3231.76 1458.96 2368.7 841.24 1263.53 2226.96 2218.59 2688.8 3754.23 1309.16 2907.65 3126.12 4334.75 4790.02 2472.51 5949.12 3380.64 2865.83 5431.49 6063.64 1074.28 1866.1 3448.21 1570.34 6324.69 7583.81 1981.5 1691.54 4438.21 2701.43 3300.05 1638.1 3690.51 711.91 1736.66 3466.57 3266.78 3699.89 1375.56 5500.86 6307.9 3026.88 2029.95 2694.13 4278.34 2130.6 1680.83 1060.25 10441.38 3029.83 1460.37 4162 5043.2 4985.59 5008.44 4835.94 4348.66 4746.76 3728.64 3976.94 [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 365.04 6447.34 8663.28 14095.42 23103.41 13305.67 9156.78 640.44 1805.21 448.26 4952.22 3461.18 6203.45 5669.55 2432.04 112433.58 9035.18 6028.79 1545.49 2958.83 5274.36 1718.81 1334.78 3722.51 13376.95 7512.46 1831.37 5314.95 2521.95 3165.13 532.77 4148.87 5232.79 851.74 328.08 2416.23 931.21 1848.72 6827.48 7460.17 27542.49 6082.79 7360.36 17000.89 2052.68 28480.58 2933.67 4117.91 2456.52 12514.14 11393.35 4694.63 1018.4 6569.35 8648.98 12081.02 34592.19 4142.46 2858.09 20877.02 14385 11396.58 5152.83 2684.68 4154.99 4293.8 9179.83 1488.13 1951.23 1412.11 730.19 3430.03 8805.15 6216.08 2876.98 13432.56 10868.72 12089.4 10573.26 10980.65 12640.81 12396.2 11230.67 9409.28 PC(DiMe(11,5)/DiMe(13,5)) 4635.14 12479.81 5701.69 1615.72 12861.62 3914.95 16429.93 11671.5 32030.35 5545.85 8084.41 9343.73 13349.44 4335.03 4333.96 34485.71 12046.63 15977.14 52163.24 2923.4 5232.57 5242.39 21371.28 10502.36 10044.27 29048.21 2192.81 14721.19 24640.86 11108.92 6185.36 10172.45 8617.5 7762.52 14305.77 29048.29 36886.19 16193.85 5495.57 14048.23 7732.78 7530.13 3493.85 11876.71 9757.37 4858.11 14124.6 11151.24 87518.51 10580.86 22730.19 7156.38 8391.54 7663.21 22311.69 15978.31 3664.31 9565.85 10882.56 17984.86 4274.95 5529.7 3158.44 10003.54 11702.24 8160.15 1571.33 2249.5 3864.38 14135.07 14091.02 11647.13 12341.85 15600.65 19499.44 12466.3 14229.18 12587.17 14208.45 13364.47 14131.75 12798.8 12740.68 14198.8 NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline 1013.73 2141.66 953.92 2014.91 3054.63 2213.78 3044.73 554.63 2820.97 1098.41 3094.53 5921.43 1513.59 1608.74 2436.83 2430.01 1601.18 1885.57 4576.34 1388.99 3422.25 2226.71 4972.66 8411.82 2487.34 6957.45 1051.9 1460.23 2464.3 4124.7 1629.01 4047.85 857.75 1956.01 1930.14 1690.74 1037.35 1119.81 3245.92 1998.15 2571.53 4646.47 1196.46 1764.4 4654.06 2650.99 4759.68 1570.11 3997.58 3157.52 2002.42 762.22 2501.09 4992.92 857.61 1617.31 1468.77 1310.58 2039.35 1163.79 1488.64 1742.62 852.1 3169.68 2462.37 2080.12 1951.77 2238.41 1654.8 1649.64 1904.85 938.08 2134.79 2638.77 3085.17 3833.52 4199.45 2305.52 3256.08 5872.34 3161.74 4684.61 4843.58 3594.26 PS(DiMe(11,3)/MonoMe(11,5)) 9020.75 11211.86 20459.08 9365.32 18565.48 28263.19 5433.8 18513.73 2832.93 17507.89 12865.62 12054.53 10827.92 6677.99 23069.58 5375.18 8543.2 12950.48 8842.34 40257.72 27950.45 15879.14 13214.13 21682.49 19815.32 22957.56 5702.21 15730.64 20171.15 17077.59 42945.21 63191.37 25323.91 10725.45 30880.42 21643.67 42763.62 11364.85 10433.77 14842.36 27606.76 7151.69 21607.11 10991.74 36060.93 15840.35 19262.81 24101.12 14459.2 28091.98 40940.79 15630.87 19274.5 14771.31 25609.54 29683.58 8469.29 14298.48 18475.93 9528.78 6653.16 22204.28 24032.19 15195.86 6915.02 18218.16 31855.8 9081.31 19861.44 46011.54 27895.21 27304.98 14079.4 13831.73 38615.07 24703.12 23126.96 24142.75 25034.89 21968.95 25143.99 21510.33 22771.4 25514.38 TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) 6733.51 3054.44 1299.33 10117.21 8559.01 6330.75 6856.52 9495.22 6863.64 4633.59 11287.8 16318.11 14267.05 3352.6 3536.33 9448.4 847.09 5519.28 1696.52 7053.72 4150.47 4012.3 4679.44 7724.5 5664.24 2959.49 3867.98 2519.98 4431.89 353.05 2697.17 12576.53 2245.83 6444.6 1190.64 2350.13 4543.04 3378.2 4085.86 8731.09 2230.02 7940.44 8786.25 1269.62 4682.84 7537.32 5742.54 3599.28 2277.37 13294.54 2207.47 3338.43 4614.27 19354.97 2657.92 3587.43 873.05 404.03 1465.49 383.36 1123.95 5911.32 5366.04 8763.39 10721.49 5966.77 8355.91 5783 2238.9 4159.88 6122.4 3024.31 15236.5 4915.1 4526.14 6866.44 6618.82 6927.16 7080.34 6854.02 4645.16 5962.43 6588.23 7016.18 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 10155.59 17529.49 3243.13 4348.85 18274.05 43411.35 7354.17 16775.06 22898.88 3439.79 5244.23 22923.24 9592.46 4288.7 13480.77 4635.72 2735.29 5323.66 18024.33 41246.46 20781.83 15210.5 2896.58 9774.15 13118.02 16815.19 7446.15 9401 20492.43 10031.02 46921.94 17660.8 13866.98 5633.12 1423.07 37425.29 3675.87 2128.17 3222.79 3379.55 16278.53 22711.35 5497.31 1614.4 35575.44 5267.09 27168.56 29043.44 16439.48 2098.54 13496.64 9850.85 5605.16 4392.63 17944.87 6443.31 4380.87 2099.53 11389.41 19379.22 4833.3 5724.71 48065.54 8493.23 9846.15 20841.79 13229.69 6568.22 3101.41 31836.22 6108.18 12206.67 7151.05 1513.62 6794.32 12051.98 10859.44 12298.36 11578.54 11793.72 12326.41 12360.4 12412.82 11401.35 TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 7218.86 5193.73 5671.71 5193.57 6556.06 9679.32 7151.44 4004.69 3581.8 6152.61 5028.83 4180.94 4984.92 3636.21 6847.02 7882.64 4414.37 5456.21 1404.93 3492.7 9580.87 1324.14 3907.86 3404.57 1647.02 6919.91 1723.16 3169.33 4654.67 4279.89 7078.84 3182.38 8484.36 4070.73 5516.75 3638.9 3317.66 2072.68 2864.84 936.66 561.37 4874 7291.69 2704.45 9810.36 3316.98 1848.12 5077.43 2769.92 10051.5 2479.75 3716.4 8862.31 6558.85 646.78 3975.41 3968.61 5715.57 5032.26 1607.97 7670.63 4657.17 4247.16 432.26 2016.72 1175.85 1647.46 7517.18 2056.02 1707.3 1258.86 3363.86 4989.9 3551.69 7842.65 4816.94 5025.16 5261.78 1873.53 6946.81 4657.05 4742.34 6141.09 4262.4 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 2467.9 6707.56 2133.35 1026.63 3656.58 4239.95 8233.96 2349.05 529.67 2048.65 8435.29 5235.83 1371.62 655.38 5276.16 19019.09 1154.7 3683.69 1950.01 591 1970.06 3711.27 3277.4 2421.64 5501.78 7351.21 3148.38 3677.87 2615.37 6384.79 1166.23 5840.92 276.55 2673.96 7289.29 3747.06 2847.52 4005 2881.57 1550.62 1021.9 1751.95 7299.58 1054.7 1566.26 1674.55 741.87 3541.85 1792.71 2317.58 1713.93 1946.08 3192.51 1940.09 6043.71 1616.77 5271.17 1483.18 2099.57 3262.6 5723.9 5040.6 1774.42 4523.82 2327.81 1375.18 6100.45 567.01 1718.18 2923.51 4263.44 6583.31 1383.88 1848.66 2304.83 4854.62 5082.04 5006.57 5656.74 4847.06 4527.59 5068.5 4505.34 5081.97 (5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-9beta-[[(Z)-2-methyl-2-butenoyl]oxy]furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-6(5aalphaH)-one 3864.97 4397.53 1473.18 30585.06 25450.46 5422.64 12222.49 28815.49 13594.74 57572.27 33590.37 31492.37 462549.1 54643.53 11212.54 1625.97 7110.17 15301.41 91042.43 23588.84 1908.1 1837.08 166184.84 67119.94 47494.79 37361.93 64410.58 52207.09 15165.09 5523.94 6569.78 16772.3 5966.43 81271.38 52652.44 29755.92 40901.1 5291.49 67238.29 29963.89 20687.64 49508.26 90066.74 38052.72 8585.01 3452.64 3531.16 8000.61 21078.63 18302.28 3285.01 25906.86 45861.36 84517.8 151717.72 54869.97 38818.91 2577.89 11922.92 7664.63 50619.41 33878.26 48835.72 32661.52 68824.87 6797.87 4946.36 14054.56 15414.22 22230.63 1645.13 7063.84 9646.83 195556.23 58082.47 7615.04 7409.21 9230.69 8495.26 9695.37 5592.94 6396.82 8000.68 3676.58 Pro-Glu-Leu-Ala-Lys 127365.76 276688.73 157923.49 70169.71 153541.39 143487.29 113706.88 175958.78 324087.99 109807.19 391231.18 116315.05 177037.67 60584.49 103955.79 215431.38 485184.24 135298.74 498769.43 629209.39 320128.96 109810.18 195720.84 858921.98 99968.74 105683.02 114697.35 159225.52 645536.41 246081.35 355959.03 797763.11 182789 165449.16 91978.21 113023.72 32545.59 124063.65 116081.65 62129.1 42484.07 53942.65 224347.55 173614.11 164242.04 108908.46 380630.97 336401.47 618288.82 752601.58 57268.21 344850.42 193797.98 88878.41 552989.78 181143.74 63810.22 70442.24 78730.8 142125.62 51608.94 36474.83 288321.03 443649.5 379021.49 80167.16 385984.04 334846.26 206753.79 231463.11 375627.13 165430.76 423929.65 131429.9 480960.32 4214.25 4068.26 4042.01 3605.43 4106.21 4055.93 4434.35 3992.04 4033.23 4521.64 4483.91 4306.78 4299.85 3884.05 4188.04 4318.24 4033.87 4005.7 3968.22 3776.79 3308.46 3925.6 4026.49 3874.81 3696.76 322761.11 322922.4 322942.47 303887.22 322777.51 298843.72 312796.52 322437.78 292286.87 DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) 2145.57 2561.62 1286.14 640.18 6426.06 6221.42 1870.29 2255.63 1571.29 2285.73 976.09 4505.1 2794.98 3930.52 830.9 23796.51 733.6 2549.81 8031.18 3434.69 1883.26 2425.97 741.37 514.18 2822.03 928.81 399.38 1916.55 4706.53 612.31 3647.97 23026.66 1633.79 2867.7 1027.11 2431.08 949.74 5296.38 1841.58 946.75 3045.43 3767.71 315.75 1023.37 4152.77 10585.32 2715.82 3982.48 1063.99 5268.92 7168.16 2168.97 2170.85 1295.81 2127.92 1496.4 1388.03 490.18 732.7 1253.09 2863.91 476.57 1942.16 719.04 2469.27 2840.36 2058.38 971.02 447.01 261.02 337.73 2403.29 3579.13 948.62 2775.37 4387.82 3241.21 4282.99 3851.17 4488.74 4408.46 4482.35 5255.81 3903.24 TG(15:0/20:1(11Z)/20:1(11Z)) 33781.04 6957.23 38195.82 37121.55 25844.44 48452.61 68478.4 11804.6 3942.82 15429.71 40446.84 17063.48 28725.16 24555.42 28123.38 35655.77 24415.99 13008.35 23665.87 14645.61 18535.85 2363.18 35111.69 23872.54 1081.66 12957.08 35426.79 24176.47 1462.75 3052.16 1233.2 18075.65 18145.01 36801.73 15638.46 13975.56 37066.35 24081.76 38669.47 22661.76 50693.53 34110.17 21373.54 17175.09 5386.97 13082.86 11296.54 14354.78 18588.05 34840.87 18103.93 20977.67 38250.25 43447.5 6874.19 14343.01 25256.16 34397.14 13566.01 10184.54 23726.52 2997.43 21788.97 38235.26 17445.83 4489.83 15717.13 3248.8 23100.65 12101.5 21888.23 26190.16 23372.4 5372.98 58992.18 15454.74 15001.56 13928.34 15193.99 14479.81 13576.79 15672.65 6291.47 14714.7 DG(15:0/18:3(9Z,12Z,15Z)/0:0) 5869.47 6879.06 1743.51 2646.65 22441.72 1079.95 19282.23 1675.83 6891.02 2748.02 4463.33 4179.95 5733.8 1125.62 7615.96 5832.32 6678.09 508.79 2116.13 3233.35 8986.86 7615.67 1594.66 5820.87 695.58 4727.6 3415.95 1643.39 2961.24 3607.62 1324.5 3042.56 1873.89 1308.3 1686.8 639.21 2744.7 9620.48 1343.96 3379.63 12240.6 4594.81 3222.57 1944.83 5199.08 6805.25 4489.38 3607.35 1282.98 1833.42 3632.31 1723.28 2260.8 4352.59 5373.99 3922.03 6722.42 2160.87 4116.49 2110.47 1612.18 2885.6 2038.85 2127.6 1072.29 2313.15 1554.11 2125.8 1808.34 1158.82 5184.95 2187.7 4491.86 9591.6 7882.73 4942.58 3854.81 4251.85 4656.46 4905.18 3177.3 3540.03 4260.01 3950.09 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CAS PubChem CID HMDB cpd_ID Valeric acid 109-52-4 7991 HMDB0000892 C00803 Ferulic acid 537-98-4 445858 HMDB0000954 C01494 D-phenylalanine 673-06-3 71567 - C02265 4-Pyridoxic acid 82-82-6 6723 HMDB0000017 C00847 Isobutyric acid 79-31-2 6590 HMDB0001873 C02632 3,4-Dimethylbenzoic acid 619-04-5 12073 HMDB0002237 - FFA(18:2) 60-33-3 5280450 HMDB0000673 C01595 Deoxycholic acid 83-44-3 222528 HMDB0000626 C04483 Allocholic acid 2464-18-8 160636 HMDB0000505 C17737 7-ketolithocholic acid 4651-67-6 444262 - - Hypoxanthine 68-94-0 790 HMDB0000157 C00262 N-ethylene glycol neuraminic acid 1113-83-3 - HMDB00833 C03410 Adipic acid 124-04-9 196 HMDB0000448 C06104 Guanine 73-40-5 | 66224-61-1 | 66224-63-3 | 66224-64-4 | 71660-31-6 | 71660-36-1 135398634 HMDB0000132 C00242 Fructose 57-48-7 | 30237-26-4 | 25702-76-5 | 139686-85-4 5984 HMDB0062538 - 2-Acetamido-2-Deoxy-D-Mannopyranose 7772-94-3 | 1136-44-3 439281 HMDB0001129 C00645 N-Acetylneuraminic Acid(SA) 19342-33-7 445063 HMDB0000230 C19910 L-Aspartic acid 56-84-8 5960 HMDB0000191 C00049 Disodium 2-hydroxypentanedioate 40951-21-1 218623 - - Adenine 73-24-5 190 HMDB0000034 C00147 12-Hydroxystearic acid 106-14-9 7789 HMDB0061706 - Malic acid 97-67-6 222656 HMDB0000156 C00149 Glycoursodeoxycholic acid 64480-66-6 12310288 HMDB0000708 - Alanine glutamate 13187-90-1 128841 HMDB0028686 - Aminosalicylic Acid 65-49-6 4649 HMDB0014378 C02518 3-Methyladipic acid 3058-01-3 | 61898-58-6 12292 - - Orotic acid 65-86-1 967 HMDB0000226 C00295 Xylose 58-86-6 135191 HMDB0000098 C00181 LPE(18:1/0:0) 89576-29-4 53480949 HMDB0011506 C04438 Taurine 107-35-7 1123 HMDB0000251 C00245 N-Acetylleucine 1188-21-2 70912 HMDB0011756 C02710 Malonic acid 141-82-2 867 HMDB0000691 C04025 Pseudouridine 1445-07-4 15047 HMDB0000767 C02067 2'-Deoxyinosine 890-38-0 135398593 HMDB0000071 C05512 Prostaglandin K1 69413-73-6 16061102 - - Acitretin 55079-83-9 5284513 HMDB0014602 - Lactose 5965-66-2 6134 HMDB0041627 C01970 Maltotriose 9005-82-7 | 6401-81-6 | 133137-05-0 | 1109-28-0 192826 - - 3-Hydroxyisovaleric acid 625-08-1 69362 HMDB0000754 - 3-Hydroxybutyrate 151-03-1 3541112 HMDB0000357 - 2-Aminophenol 95-55-6 5801 - C01987 cis-EODA 24560-98-3 119250 - - L-Tyrosine 60-18-4 6057 HMDB0000158 C00082 Pentadecanoic acid 1002-84-2 13849 HMDB0000826 C16537 Dodecanedioic Acid 693-23-2 12736 HMDB0000623 C02678 Inositol 87-89-8 | 643-12-9 | 488-59-5 | 6917-35-7 | 488-58-4 | 551-72-4 | 41546-34-3 | 643-10-7 | 488-55-1 | 488-54-0 | 576-63-6 | 38876-99-2 892 HMDB0000211 C00137 | C06151 | C06152 | C06153 | C19891 Phthalic acid 88-99-3 1017 HMDB0002107 C01606 2,3-dinor-8-iso Prostaglandin F2α 221664-05-7 9548881 - C14794 L-Alanine 56-41-7 5950 HMDB0000161 C00041 Turanose 547-25-1 5460935 HMDB0011740 C19636 Canrenone 976-71-6 13789 HMDB0003033 - Isodeoxycholic acid 566-17-6 164672 HMDB0002536 C17661 Nicotinic acid adenine dinucleotide 6450-77-7 165491 HMDB0001179 C00857 Biosone 471-53-4 18526330 HMDB0011628 C02283 Thr-Asp 108320-97-4 7016067 HMDB0029057 - α-Ketoglutaric Acid (α-KG) 328-50-7 51 HMDB0000208 C00026 6-Hydroxynicotinic acid 5006-66-6 72924 HMDB0002658 C01020 21-Deoxycortisol 641-77-0 92827 HMDB0004030 C05497 L-lyxose 1949-78-6 644176 HMDB0003402 - Uric acid 69-93-2 1175 HMDB0000289 C00366 Suberic acid 505-48-6 10457 HMDB0000893 C08278 Pterin 2236-60-4 135398660 HMDB0000802 C00715 Glu-Val 1453453 6992567 HMDB0028832 - Isoquercitrin 482-35-9 5280804 HMDB0037362 C05623 trans-2-Octenoic acid 1871-67-6 5282714 HMDB0001568 - 2-Pyrimidineacetic acid 66621-73-6 12367098 - - gamma-Glutamylglutamine 10148-81-9 150914 HMDB0011738 C05283 3-Hydroxyglutaric acid 638-18-6 181976 HMDB0000428 - Stachyose 470-55-3 439531 HMDB0003553 C01613 L-Saccharopine 997-68-2 160556 HMDB0000279 C00449 N-Alpha-acetyllysine 152473-69-3 192590 HMDB0000446 - Epigallocatechin 970-74-1 72277 HMDB0038361 C12136 Xanthurenic acid 59-00-7 5699 HMDB0000881 C02470 Cholic acid 81-25-4 221493 HMDB0000619 C00695 N-Arachidonoyl-L-Alanine 401941-73-9 40846579 - - Mannitol 69-65-8 6251 HMDB0000765 C00392 L-Iditol 488-45-9 5460044 HMDB0011632 C01507 (±)9-HpODE 5502-91-0 5282856 HMDB0062434 C14827 Amifostine 20537-88-6 2141 HMDB0015274 C06819 Ethosuximide 77-67-8 3291 HMDB0014731 C07505 Pelargonic acid 112-05-0 8158 HMDB0000847 C01601 Sulfathiazole 72-14-0 5340 HMDB0015619 C11169 Cis-8,11,14,17-Eicosatetraenoic acid 2091-26-1 11722594 HMDB0002177 - Clopidogrel 113665-84-2 60606 HMDB0005011 - Isomaltulose 58166-27-1 | 15132-06-6 439559 - C01742 N-Acetyl-L-alanine 97-69-8 88064 HMDB0000766 - 3-Hydroxypicolinic acid 874-24-8 13401 HMDB0013188 C18620 Valproic acid 99-66-1 3121 HMDB0001877 C07185 2-Hydroxycinnamic acid 614-60-8 637540 HMDB0002641 C01772 2,4-Quinolinediol 86-95-3 | 70254-44-3 | 70254-43-2 54680871 - - Purine 120-73-0 1044 HMDB0001366 C15587 Dasatinib 302962-49-8 3062316 HMDB0015384 - 3-Sialyllactose 35890-38-1 123914 HMDB0000825 - 2-Phenylphenol 90-43-7 7017 HMDB0032582 C02499 2-Hydroxy-2-methylbutyric acid 3739-30-8 95433 HMDB0001987 - Thymine 65-71-4 1135 HMDB0000262 C00178 Sulfapyridine 144-83-2 5336 HMDB0015028 - Sulfacetamide 144-80-9 5320 HMDB0014772 - Entecavir 142217-69-4 | 209216-23-9 | 188399-46-4 135398508 HMDB0014585 - Uridine-5'-monophosphate 58-97-9 6030 HMDB0000288 C00105 Carnosine 305-84-0 439224 HMDB0000033 C00386 Adenosine 58-61-7 60961 HMDB0000050 C00212 Heptanoic acid 111-14-8 8094 HMDB0000666 C17714 Linezolid 165800-03-3 441401 HMDB0014739 C08146 Geranic acid 459-80-3 5275520 HMDB0036103 C16461 Uridine 58-96-8 6029 HMDB0000296 C00299 Magnolol 528-43-8 72300 HMDB0254305 C10651 Xylitol 87-99-0 6912 HMDB0002917 C00379 Melatonin 73-31-4 896 HMDB0001389 C01598 9(S)-HpOTrE 111004-08-1 6450029 - - Primidone 125-33-7 4909 HMDB0014932 C07371 3,3',4'5-Tetrahydroxystilbene 10083-24-6 667639 HMDB0004215 C05901 Thymidine 50-89-5 5789 HMDB0000273 C00214 Biopterin 36183-24-1 | 22150-76-1 135398729 HMDB0000468 C06313 Undecylenic acid 112-38-9 5634 HMDB0033724 C13910 Hydantoin-5-propionic acid 5624-26-0 782 HMDB0001212 C05565 2-Isopropylmalate 49601-06-1 5280523 HMDB0000402 C02504 Lithocholic acid 434-13-9 9903 HMDB0000761 C03990 Nateglinide 105816-04-4 | 105816-06-6 | 105746-37-0 5311309 HMDB0014869 - N-Formylmethionine 4289-98-9 439750 HMDB0001015 C03145 Flutamide 13311-84-7 3397 HMDB0014642 C07653 Salidroside 10338-51-9 159278 - C06046 2,4-Diamino-6-hydroxypyrimidine 56-06-4 | 100643-27-4 | 143504-99-8 | 195-66-4 135408763 HMDB0002128 - Asp-Val 13433-04-0 7009616 HMDB0028766 - 3,7-Dimethyluric acid 13087-49-5 83126 HMDB0001982 C16360 L-Theanine 3081-61-6 439378 HMDB0034365 C01047 Tamibarotene 94497-51-5 108143 HMDB0015605 C12864 12-Ketolithocholic acid 5130-29-0 3080612 HMDB0000328 - Oxaprozin 21256-18-8 4614 HMDB0015126 C07356 N-Acetylthreonine 17093-74-2 152204 HMDB0062557 - L-Gulonolactone 1128-23-0 439373 HMDB0003466 C01040 Coumestrol 479-13-0 5281707 HMDB0002326 C10205 4-Methylvaleric Acid 646-07-1 12587 HMDB0000689 - Geniposide 24512-63-8 | 169799-41-1 | 27745-20-6 107848 - C09781 5,6-Dimethylbenzimidazole 582-60-5 675 HMDB0003701 C03114 Homocitrulline 1190-49-4 65072 HMDB0000679 C02427 Brigatinib (AP26113) 1197953-54-0 68165256 - - Bumetanide 28395-03-1 2471 HMDB0015024 - Tyrphostin A51 126433-07-6 | 122520-90-5 5328807 - - (S)-2-Azetidinecarboxylic acid 2133-34-8 16486 HMDB0029615 C08267 Thiodiglycolic acid 123-93-3 31277 HMDB0042032 C14872 Ammeline 645-92-1 135408770 - C08733 2,6-Dimethylphenol 576-26-1 11335 HMDB0032150 - Isatin 91-56-5 7054 HMDB0061933 C11129 2-Hydroxyglutarate 2889-31-8 43 HMDB0059655 C02630 FFA(13:0) 638-53-9 12530 HMDB0000910 C17076 N-[(3S)-Tetrahydro-2-oxo-3-furanyl]octadecanamide 479050-96-9 69757690 - - Fluconazole 86386-73-4 3365 HMDB0014342 - Gln-Gln 54419-93-1 7010588 HMDB0028795 - Glu-Phe 20556-22-3 18653118 HMDB0029156 - Marmesin 13849-08-6 334704 HMDB0030786 C09276 Methotrexate 21672 126941 HMDB0014703 C01937 Porphobilinogen 487-90-1 1021 HMDB0000245 C00931 Riluzole 1744-22-5 5070 HMDB0014878 C07937 Rutaecarpine 84-26-4 65752 HMDB0042010 C09238 alpha-Muricholic acid 2393-58-0 5283852 HMDB0000506 C17647 Phosphoserine 407-41-0 68841 HMDB0000272 C01005 Trehalose 99-20-7 7427 HMDB0000975 C01083 4-Hydroxycyclohexylcarboxylic acid 17419-81-7 151138 HMDB0001988 - Epinephrine 51-43-4 5816 HMDB0000068 C00788 Ambrisentan 177036-94-1 6918493 - - Ribose-1-phosphate 14075-00-4 439236 HMDB0001489 C00620 1-[5-(1,2,3,4-tetrahydroxybutyl)-1H-imidazol-2-yl]ethanone 95120-07-3 | 94944-70-4 180624 HMDB0029756 - cis,cis-Muconic acid 1119-72-8 5280518 HMDB0006331 C02480 Creatinine 60-27-5 588 HMDB0000562 C00791 N-Acetyl-L-tryptophanamide 2382-79-8 94230 - - Tropisetron 89565-68-4 656665 - - Fluorouracil 51-21-8 3385 HMDB0014684 C07649 9(S),12(S),13(S)-TriHOME 97134-11-7 9858729 HMDB0004708 C14833 Suberylglycine 60317-54-6 6453952 HMDB0000953 - Daminozide 1596-84-5 15331 - - 2-Hydroxy-3,4-dimethoxybenzoic acid 5653-46-3 79737 HMDB0142084 - 2-Naphthol 135-19-3 8663 HMDB0012322 C11713 Decitabine 2353-33-5 451668 HMDB0015391 - L-cystathionine 56-88-2 439258 HMDB0000099 C02291 4-Methylesculetin 529-84-0 5319502 HMDB0136755 - Arg-Met 45243-23-0 7019989 HMDB0028715 - ADP-ribose 20762-30-5 192 HMDB0001178 C00301 3-Hydroxyflavone 577-85-5 11349 HMDB0031816 C01495 4-Hydroxy-glutamic acid 3913-68-6 192790 HMDB0002273 C05947 Glycyl-L-tyrosine 658-79-7 92829 HMDB0028853 - 3-Deazauridine 23205-42-7 54684286 - - Isoliquiritigenin 961-29-5 638278 HMDB0037316 C08650 Ozagrel hydrochloride 78712-43-3 | 74003-18-2 6438130 - - 12-Hydroxydodecanoic acid 505-95-3 79034 HMDB0002059 C08317 Gastrodin 62499-27-8 115067 - C16964 2-Chloro-2'-Deoxyadenosine 4291-63-8 20279 HMDB0014387 - Baicalein 491-67-8 5281605 HMDB0031991 C10023 6-Methoxy-2-naphthoic acid 2471-70-7 349181 - - Pipecolic acid 535-75-1 849 HMDB0000070 C00408 Pelargonidin 7690-51-9 440832 HMDB0003263 C05904 Pemetrexed 137281-23-3 135410875 - - Xanthosine 146-80-5 64959 HMDB0000299 C01762 Terephthalic acid 100-21-0 7489 HMDB0002428 C06337 Maltitol 585-88-6 493591 HMDB0002928 - 2-Phospho-D-Glyceric Acid 3443-57-0 439278 HMDB0003391 C00631 3-[[[2-[(Aminoiminomethyl)amino]-4-thiazolyl]methyl]thio]-N-(aminosulfonyl)propanimidamide 76824-35-6 5702160 HMDB0001919 - Clobetasol propionate 25122-46-7 32798 - D01272 Pivalic acid 75-98-9 6417 HMDB0041992 - 6-trans-12-epi Leukotriene B4 71548-19-1 5283129 HMDB0005088 - Valylcysteine 160070-15-5 10421020 HMDB0029124 - Pyritinol 1098-97-1 14190 - C71346 Carprofen 53716-49-7 2581 HMDB0014959 C18364 Glycylglycine 556-50-3 11163 HMDB0011733 C02037 Melphalan 148-82-3 460612 HMDB0015176 C07122 Protionamide 14222-60-7 666418 - - Ethylparaben 120-47-8 8434 HMDB0032573 - 1-Methyladenosine 15763-06-1 27476 HMDB0003331 C02494 Gemcitabine 95058-81-4 60750 HMDB0014584 C07650 Arvanil 128007-31-8 6449767 - - Furfural diacetal 13529-27-6 83553 - C14280 1-Methyluric acid 708-79-2 69726 HMDB0003099 C16359 Dopamine 62-31-7 681 HMDB0000073 C03758 Nabumetone 42924-53-8 4409 HMDB0014604 - Indoxyl sulfate 487-94-5 10258 HMDB0000682 - Zonisamide 68291-97-4 5734 HMDB0015045 C07504 Agomelatine 138112-76-2 82148 HMDB0015636 - Isoeugenol 5932-68-3 853433 HMDB0005802 C10469 Sotalol hydrochloride 959-24-0 | 366-80-3 66245 - - Entacapone 130929-57-6 5281081 HMDB0012226 C07943 2-Hydroxyethanesulfonic acid 107-36-8 7866 HMDB0003903 C05123 Erythritol 149-32-6 222285 HMDB0002994 C00503 Tasimelteon 609799-22-6 10220503 - - 2,3-Dimethoxyphenol 5150-42-5 | 25155-26-4 78828 HMDB0131479 - Jasmonic acid 59366-47-1 5281166 HMDB0032797 C08491 Rhein 478-43-3 10168 HMDB0032876 C10401 cyclic ADP-ribose 119340-53-3 123847 - - Ractopamine hydrochloride 90274-24-1 14010333 HMDB0301773 - Nalidixic acid 389-08-2 4421 HMDB0014917 C05079 p-Aminobenzoic acid 150-13-0 978 HMDB0001392 C00568 Isopentenyladenine 2365-40-4 92180 HMDB0245646 C04083 Niflumic acid 4394-00-7 4488 HMDB0015573 C13698 L-Fucose 87-96-7 17106 HMDB0000174 C01019 Butyrate 461-55-2 104775 HMDB0000039 - Bergenin 477-90-7 66065 - C09919 Rubitecan 91421-42-0 472335 - - 3-Methylcrotonyl Glycine 33008-07-0 169485 HMDB0000459 - Sphinganine 1-phosphate 19794-97-9 644260 HMDB0001383 C01120 DL-Glyceraldehyde 3-Phosphate 591-59-3 729 HMDB0001112 C00661 2'-Deoxyadenosine-5'-monophosphate 653-63-4 12599 HMDB0000905 C00360 Thymidine-5'-phosphate 365-07-1 9700 HMDB0001227 C00364 Corydaline 518-69-4 | 6018-35-5 101301 - - Atipamezole 104054-27-5 | 308081-08-5 71310 - - 3-Methylxanthine 1076-22-8 70639 HMDB0001886 C16357 Thiabendazole 148-79-8 5430 HMDB0014868 C07131 Etamsylate 2624-44-4 17506 - - p-Toluenesulfonic acid 104-15-4 6101 HMDB0059933 C06677 (Rs)-Mevalonic Acid 150-97-0 449 HMDB0000227 C00418 Oxiglutatione 27025-41-8 65359 HMDB0003337 C00127 5-Hydroxyindoleacetaldehyde 1892-21-3 74688 HMDB0004073 C05634 10-Hydroxycamptothecin 19685-09-7 97226 - C17939 3-Sulfocatechol 6917-79-9 | 35857-70-6 440983 - C06336 Mannose 1-phosphate 27251-84-9 644175 HMDB0006330 - Indole-3-acetamide 879-37-8 397 HMDB0029739 C02693 Letermovir 917389-32-3 45138674 - - Naringin dihydrochalcone 18916-17-1 9894584 - - N-(3-Hydroxypropyl)phthalimide 883-44-3 70160 - - Eprodisate disodium 36589-58-9 6451143 - C74883 gamma-Glutamylcysteine 636-58-8 123938 HMDB0001049 C00669 Caffeic acid 501-16-6 689043 HMDB0001964 C01481 Glu-Ala 21064-18-6 6992506 HMDB0003764 - Salicin 138-52-3 439503 HMDB0003546 C01451 H-Trp-ser-OH 133101-40-3 7009660 - - D-Xylulose 5-phosphate 4212-65-1 439190 HMDB0000868 C00231 Tucidinostat 743438-44-0 12136798 - - Alimix 260779-88-2 13677778 - - Pyrophosphate 206975 644102 HMDB0000250 C00013 Glutamine 56-85-9 5961 HMDB0000641 C00064 Cimetidine 51481-61-9 2756 HMDB0014644 C06952 3,4-Dihydroxyhydrocinnamic acid 1078-61-1 348154 HMDB0000423 C10447 Pinolenic acid 16833-54-8 5312495 - - 4-Hydroxyquinoline 611-36-9 691414 - C06343 Tiglylglycine 35842-45-6 6441567 HMDB0000959 - 5-keto-D-gluconic acid 5287-64-9 | 815-89-4 5460352 HMDB0011731 C01062 Estradiol cypionate 313-06-4 9403 - - Rifamycin 6998-60-3 | 15105-92-7 6324616 - - 7-[2-TRIFLUOROMETHYL-4-(2-HYDROXYPHENYL)-1,3-DIOXAN-cis-5-YL]-HEPT-5Z-ENOIC ACID 106393-80-0 5311390 - - 1-Octadecyl Lysophosphatidic Acid 52977-29-4 12051354 HMDB0011144 - Silibinin 22888-70-6 | 36804-17-8 | 65666-07-1 | 802918-57-6 31553 - - Triptophenolide 74285-86-2 173273 - - Indol-3-yl sodium phosphate 3318-43-2 76830 - - Alpha-Ketooctanoic acid 328-51-8 67600 HMDB0013211 - Lubiprostone 333963-40-9 | 136790-76-6 157920 HMDB0015180 - 3-(3,4,5-Trimethoxyphenyl)propanoic acid 25173-72-2 64860 HMDB0030254 - Prostaglandin F2alpha methyl ester 33854-16-9 5283102 - - Pimelic Diphenylamide 106 937039-45-7 16070100 - - 2,3-Diphenylquinoxaline-6-carboxylic acid 32387-96-5 629852 - - Xanthurenic acid 8-methyl ether 2929-14-8 76230 - C05830 Asiatic acid 464-92-6 119034 - C08617 4-Acetamidobenzaldehyde 122-85-0 | 34-24-2 73942 - - FAA(17:1) 111047-30-4 5469634 HMDB0038522 - 1-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine 19420-56-5 16081932 HMDB0002815 C00157 Bufalin 465-21-4 9547215 - C16922 Corchorifatty acid F 95341-44-9 44559173 HMDB0035919 - alpha-CYANO-3-HYDROXYCINNAMIC ACID 54673-07-3 5353398 - - AICA ribonucleotide 3031-94-5 65110 HMDB0001517 C04677 16-Phenyl tetranor prostaglandin F2alpha 38315-48-9 | 54324-29-7 12041592 - - Minaprine 25905-77-5 4199 HMDB0014943 - Aceglutamide 2490-97-3 182230 HMDB0006029 - Gangetin 32986-79-1 317611 - - Glu-His 21435-29-0 9921875 HMDB0028821 - L-Homocysteic acid 14857-77-3 177491 HMDB0002205 C16511 Tetrahydropapaveroline 4747-99-3 18519 HMDB0012486 C06350 Cephalomannine 71610-00-9 6436208 - - 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-phenyl-1-propanone 35241-55-5 169676 HMDB0034435 C09644 Perillic acid 7694-45-3 1256 HMDB0004586 C11924 (R)-dihydrolipoic acid 119365-69-4 9834298 HMDB0012210 C02147 Uridine-diphosphate-N-acetylglucosamine 528-04-1 445675 HMDB0000290 C00043 Cardamonin 19309-14-9 | 18956-16-6 641785 HMDB0132913 - Acenocoumarol 152-72-7 54676537 HMDB0015487 - Angolensin 642-39-7 3584988 HMDB0141947 - Bucharaine 21059-47-2 | 314075-00-8 5338262 - C10649 delta-Tocotrienol 25612-59-3 5282350 HMDB0030008 C14156 FFA(12:1) 2430-94-6 5312378 HMDB0000529 - 3-Hydroxydecanoic acid 14292-26-3 | 5561-87-5 | 33044-91-6 26612 HMDB0002203 - Nitroxoline 4008-48-4 19910 HMDB0015491 - Dibutyl phthalate 84-74-2 3026 HMDB0033244 C14214 Bromopride 4093-35-0 2446 - - Sapropterin 62989-33-7 | 17528-72-2 | 103130-44-5 | 27070-47-9 135398654 - C00272 | C16118 beta-D-Galp-(1->3)-D-GalpNAc 20972-29-6 441248 - C07278 Alpha-d-xylopyranose 6763-34-4 | 130550-15-1 6027 HMDB0000098 C01394 | C02205 Exalamide 53370-90-4 3316 - - Norfloxacin 70458-96-7 4539 HMDB0015192 C06687 2'-O-Methyladenosine 2140-79-6 102213 HMDB0004326 - 6beta-Naltrexol 49625-89-0 | 20410-98-4 5486554 - - Glutamylasparagine 36314-37-1 13655621 HMDB0028814 - 2',5'-Dichlorobiphenyl-3-ol 53905-29-6 92346 - - Tafluprost acid 209860-88-8 9978917 - - Gestrinone 16320-04-0 27812 HMDB0002720 - Zoxazolamine 61-80-3 6103 - - L-Thyronine 1596-67-4 5461103 HMDB0000667 - Edaravone 89-25-8 4021 HMDB0006240 - (E)-Ethyl 3-(4-hydroxyphenyl)acrylate 7362-39-2 | 2979-06-8 676946 HMDB0131282 - 4-Hydroxyisophthalic acid 636-46-4 12490 - C21168 Alendronic acid 66376-36-1 2088 HMDB0001915 C07752 Adenosine-5'-phosphosulfate 485-84-7 10238 HMDB0001003 C00224 N-Arachidonoyl-L-Serine 187224-29-9 10596625 - - 3-O-Feruloylquinic acid 62929-69-5 9799386 HMDB0030669 C02572 Tiapride 51012-32-9 5467 HMDB0042039 - 5-[4-(4-Hydroxyphenyl)phenyl]benzene-1,3-diol 890854-82-7 11630507 - - 7-Hydroxyflavone 6665-86-7 5281894 HMDB0141531 C11264 Flunixin 38677-85-9 38081 - - Fenaminosulf 140-56-7 23668198 - C18937 Cystathionine 61135-95-3 834 HMDB0033142 C00542 1-deoxy-D-xylulose 5-phosphate 190079-18-6 443201 HMDB0001213 C11437 Lestaurtinib 111358-88-4 126565 - - N-(benzenesulfonyl)-2-[4-(4,9-diethoxy-3-oxo-1H-benzo[f]isoindol-2-yl)phenyl]acetamide 439288-66-1 5312130 - - Sulfamethoxypyridazine 80-35-3 5330 - - [(2R,3R,4S,5S,6R)-2-[(1R,2Z,3S,4R,5S)-2-(cyanomethylidene)-3-hydroxy-4,5-dimethoxycyclohexyl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 67411-22-7 6442644 HMDB0035475 - 3,4-Dihydro-8-hydroxy-3-(3-hydroxy-4-methoxyphenyl) 1H-2-benzopyran-1-one 21499-23-0 164615 HMDB0030807 - 3,4,5-Trimethoxyphenol 642-71-7 69505 - - Prostratin 60857-08-1 454217 - C20197 Kainic acid 487-79-6 | 4071-38-9 10255 - - Prednisolone acetate 52-21-1 5834 - C08180 L-Naspa 155915-46-1 6610239 - - dl-Alanyl-dl-leucine 1999-42-4 | 1638-60-4 259583 - - Cycloxydim 101205-02-1 | 99434-58-9 135438605 - - 3-Mercaptopyruvic acid 2464-23-5 98 HMDB0001368 C00957 (S)-Mevalonic acid-5-pyrophosphate 1492-08-6 22833574 HMDB0001981 - Hippuric acid, o-methoxy-, methyl ester 27796-49-2 531541 - - Val-Asp 20556-16-5 7009608 HMDB0029123 - 7-[2-(3-Hydroxyoctyl)-5-oxopyrrolidin-1-YL]heptanoic acid 64054-40-6 44269516 - - 1-Oxazolo[4,5-b]pyridin-2-yl-9-octadecyn-1-one 288862-89-5 9977214 - - Garcinone C 76996-27-5 44159808 HMDB0029511 - N-methyl-L-glutamic Acid 35989-16-3 439377 HMDB0062660 C01046 Santonine, oxime 1618-82-2 5351540 - - Calcifediol 19356-17-3 5283731 HMDB0003550 C01561 Hexanoylglycine 24003-67-6 99463 HMDB0000701 - 5-Quinoxalin-6-ylmethylene-thiazolidine-2,4-dione 648450-29-7 5289247 - - Thionalide 93-42-5 66733 - - Albiflorin 39011-90-0 24868421 - C17457 16-phenyl tetranor Prostaglandin E2 38315-44-5 5283067 - - Sulfisomidine 515-64-0 5343 - - Ala-Gly 687-69-4 | 25765-55-3 6998029 - - 2-Amino-5-nitrobenzoic acid 616-79-5 12032 - C19788 Halcinonide 3093-35-4 443943 - C74589 h-d-Tyr-otbu 87553-74-0 7408333 - - Acesulfame potassium 55589-62-3 11074431 HMDB0033585 - Gln-Asn 14608-79-8 14767397 HMDB0028792 - Syringetin-3-o-glucoside 40039-49-4 5321577 - - 19-Hydroxyandrost-4-ene-3,17-dione 510-64-5 252379 HMDB0003955 C05290 Tricyclazole 41814-78-2 39040 HMDB0031809 C18492 Chelidonic acid 99-32-1 7431 - C08476 4-(pyridin-4-yl)-N-(m-tolyl)thiazol-2-amine 315702-99-9 704473 - - Amobarbital 57-43-2 2164 HMDB0015440 C07536 Edoxudine 15176-29-1 | 69264-36-4 66377 - - Tebufenpyrad 119168-77-3 86354 - - nor-NOHA 291758-32-2 | 189302-40-7 446124 - - 4-(Hydroxymethyl)benzenesulfonic acid 122855-96-3 441138 - C06678 S-Nitroso-N-acetyl-DL-penicillamine 67776-06-1 | 79032-48-7 | 152971-80-7 5231 - - O-Phospho-DL-threonine 27530-80-9 1016 HMDB0011185 - Methyldiphenylphosphine oxide 2129-89-7 75041 - - 2',5'-Dichloro-2-hydroxybiphenyl 53905-30-9 92347 - - Chymostatin 9076-44-2 443119 - C11308 Icilin 36945-98-9 161930 - C20171 D-Fructose 53188-23-1 439709 HMDB0000660 C02336 Tolfenamic acid 13710-19-5 610479 HMDB0042043 - Thiopental 76-75-5 3000715 HMDB0014737 C07521 Estradiol acetate 4245-41-4 9818306 - - 1,3,7-Trimethyluric acid 5415-44-1 79437 HMDB0002123 C16361 Phytolaccasaponin G 60820-94-2 5070782 HMDB0034636 - 1-tert-butyl-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 221244-14-0 | 956025-48-2 5154691 - - 3-Methylglutarylcarnitine 102673-95-0 128145 HMDB0000552 - 7-Hydroxyamoxapine 37081-76-8 162242 HMDB0060799 - 4-(2-Hydroxyethyl)piperazin-1-ylethanesulphonic acid 7365-45-9 23830 HMDB0062295 - N,N-Dimethyl-L-histidine 24940-57-6 440274 - C04259 5-chloro-1'-[(2-fluorophenyl)methyl]-2,2',5'-trioxo-spiro[3H-indole-3,3'-pyrrolidine-1(2H)-acetic acid 916046-55-4 15950102 - - Genipin 1-gentiobioside 29307-60-6 3082301 - C16965 3-(6-Amino-9h-purin-9-yl)propanoic acid 4244-47-7 255450 HMDB0029939 - 11beta-PGF2alpha-EA 714966-38-8 35023007 - - Glucobrassicanapin 19041-10-2 5485207 HMDB0038417 - 2'-Deoxycytidine-5'-monophosphate 1032-65-1 13945 HMDB0001202 C00239 Ala-Thr 24032-50-6 6427004 HMDB0028697 - trichostatin A 58880-19-6 444732 - - 2-Amino-6-ureidohexanoic acid 197236-50-3 231356 - - Robinin 301-19-9 5281693 - - Keto-Deoxy-Nonulonic acid 153666-19-4 13991616 - C20934 beta-L-fucose 1-phosphate 16562-59-7 65369 HMDB0001265 C02985 Glycylmethionine 554-94-9 151282 HMDB0028847 - Mefenamic acid 61-68-7 4044 HMDB0014922 C02168 Phenyl dihydrogen phosphate 701-64-4 12793 - C02734 Floctafenine 23779-99-9 3360 - - 3-[2-Methyl-5-(piperidine-1-sulfonyl)furan-3-yl]-1-phenylurea 685506-42-7 2810413 - - 3-Hexenedioic acid 29311-53-3 5351896 HMDB0000393 - Nylidrin 447-41-6 4567 - - (6a,11b,16a,17a)-6,9-Difluoro-11,17-dihydroxy-16-methyl-3-oxoandrosta-1,4-diene-17-carboxylic acid 28416-82-2 9822089 HMDB0061092 - Leu-Lys 6416-76-8 9816627 HMDB0028934 - Palmitoleoyl 3-carbacyclic Phosphatidic Acid 910228-13-6 9909601 - - S-Sulfo-L-Cysteine 1637-71-4 115015 HMDB0000731 C05824 Terbacil 5902-51-2 22188 - - Diphenhydramine 147-24-0 3100 HMDB0001927 C06960 4-Hydroxybenzenesulfonic acid 98-67-9 4765 - - N2-Tryptophyllysine 51790-14-8 6452501 - - Secoisolariciresinol diglucoside 158932-33-3 | 148244-82-0 9917980 - - N-(2-Oxotetrahydrofuran-3-YL)octanamide 147852-84-4 6914579 - C21199 N-Acetylproline 68-95-1 66141 HMDB0094701 - Pyridoxamine phosphate 529-96-4 1053 HMDB0001555 C00647 Phlorizin 60-81-1 6072 HMDB0036634 C01604 Practolol 6673-35-4 4883 HMDB0015411 C11696 5-Aminoimidazole-4-carboxamide 360-97-4 9679 HMDB0003192 C04051 5,6,7,8-Tetrahydroquinolin-2(1H)-one 54802-19-6 264106 - - 3,4,5-Trimethoxycinnamic acid 90-50-6 735755 HMDB0002511 - Dehydro-L-(+)-ascorbic acid dimer 72691-25-9 4613280 - - Cromolyn 16110-51-3 2882 HMDB0015138 C06928 Bimatoprost 155206-00-1 5311027 HMDB0015041 - 7-Hydroxyprochlorperazine 52172-19-7 12333094 - - D-Ribulose 1,5-bisphosphate 24218-00-6 | 2002-28-0 123658 - C01182 2-Amino-3-[(3-methylbut-2-en-1-yl)sulfanyl]propanoic acid 5287-46-7 5121218 HMDB0012286 - 2-Propylphenol 644-35-9 12570 HMDB0032624 - 2-deoxy-5-O-phosphono-D-erythro-pentose 7685-50-9 150629 HMDB0001031 - Dimethylarsinic acid 75-60-5 2513 HMDB0011625 C07308 Platensimycin 835876-32-9 6857724 - C20132 Tetracycline 60-54-8 54675776 HMDB0014897 C06570 5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 57093-50-2 5321859 HMDB0130663 - Met-Thr 40883-16-7 7021822 HMDB0028983 - Acetaminophen glucuronide 16110-10-4 83944 HMDB0010316 - Ephedrine 299-42-3 9294 HMDB0015451 C01575 BayCysLT2 712313-33-2 53394034 - - Pentobarbital 76-74-4 | 57-33-0 | 30849-50-4 4737 HMDB0014457 C07422 (2S,3R)-2,3-dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid 35388-57-9 6710641 - - Bosutinib 380843-75-4 5328940 HMDB0240205 - Gibberellin A53 51576-08-0 440914 HMDB0036895 C06094 Cyclamic acid 100-88-9 7533 HMDB0031340 C02824 Flindersine 523-64-8 68230 - - 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine 70812-59-8 9546800 HMDB0008937 C00350 Butamifos 36335-67-8 37419 - - 4-[4-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1H-imidazol-5-yl]pyridine 152121-46-5 6610350 - - Isoproterenol 7683-59-2 3779 HMDB0015197 C07056 Delphinidin 3-glucoside 50986-17-9 443650 HMDB0037997 - Sulfanilic acid 121-57-3 | 129674-17-5 | 71949-32-1 8479 - C06335 Glu-Lys 5891-53-2 7015704 HMDB0004207 - 7,7-Dimethyl-(5Z,8Z)-eicosadienoic acid 89560-01-0 5312331 - - Imidazoleacetic acid 645-65-8 96215 HMDB0002024 C02835 Farnesyl diphosphate 13058-04-3 445713 HMDB0000961 C00448 Boscalid 188425-85-6 213013 - C18547 Chorismic acid 617-12-9 12039 HMDB0012199 C00251 Purpurin 81-54-9 6683 - - 8-Anilino-1-naphthalenesulfonic acid 82-76-8 1369 HMDB0061854 C11326 Enalapril 75847-73-3 5388962 HMDB0014722 C06977 7-Xylosyl-10-deacetyltaxol 90332-63-1 46783796 - - 4-Guanidinobutyric acid 463-00-3 500 HMDB0003464 C01035 Gibberellin A14 4955-22-0 | 429678-85-3 443451 - - Modafinil 68693-11-8 | 112111-49-6 | 112111-47-4 4236 HMDB0014883 - Taurocyamine 543-18-0 68340 HMDB0003584 C01959 gamma-Glutamylglutamate 1116-22-9 92865 HMDB0011737 C05282 Acetaminophen sulfate 10066-90-7 83939 HMDB0059911 - Hydramethylnon 67485-29-4 5281875 - - 16,16-dimethylprostaglandin E2 39746-25-3 5283066 - - O-phospho-L-threonine 1114-81-4 3246323 HMDB0011185 C12147 3-Methoxycinnamic acid 6099-04-3 | 17570-26-2 637668 HMDB0125518 - Formoterol 73573-87-2 | 128954-45-0 | 126587-85-7 3410 HMDB0015118 C07805 Bortezomib 179324-69-7 387447 HMDB0014334 - cytidine monophosphate N-acetylneuraminic acid 3063-71-6 448209 HMDB0001176 C00128 Geranylgeranyl diphosphate 6699-20-3 447277 HMDB0004486 C00353 Ethephon 16672-87-0 27982 - C18399 3-(dimethylamino)-N-(3-(4-hydroxybenzamido)-4-methylphenyl)benzamide 208260-29-1 5730 - - Diflubenzuron 35367-38-5 37123 HMDB0031778 C14427 Nonivamide 2444-46-4 2998 HMDB0029846 - Zoledronic acid 118072-93-8 68740 HMDB0014543 - Digalacturonate 5894-59-7 439694 HMDB0039721 C02273 Lithospermoside 63492-69-3 10065132 - C17771 3-Indolylmethyl glucosinolate 4356-52-9 6602378 HMDB0030243 - D-4-Hydroxyphenylglycine 22818-40-2 89853 - C03493 3-(2-Aminopropyl)phenol 1075-61-2 102551 - - N-(furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 99057-46-2 219840 - - Gluconic Acid 526-95-4 10690 HMDB0000625 C00257 (3S,3aS,6R,8aS)-3,8-Dimethyl-5-(propan-2-ylidene)-2,3,4,5,6,8a-hexahydro-1H-3a,6-epoxyazulen-6-ol 19431-84-6 387977 HMDB0033960 C16942 2,2-Dimethylsuccinic acid 597-43-3 11701 HMDB0002074 - Sorbitan 27299-12-3 | 100402-56-0 | 12441-09-7 | 28218-56-6 10953859 - - (S)-3-Hydroxyisobutyric acid 26543-05-5 440873 HMDB0000023 C06001 DL-Methionine 59-51-8 | 26062-47-5 | 7005-18-7 | 33807-07-7 876 HMDB0033951 C01733 D-Ribose 613-83-2 5779 HMDB0000283 C00121 4'-Hydroxy-5,6,7-trimethoxyflavanone 59567-91-8 244387 - - 9,10,13-Trihydroxy-11-octadecenoic acid 29907-57-1 5282965 HMDB0004710 - 3-Hydroxy-3-methyl-2-oxobutanoic acid 6546-31-2 440248 - C04181 Vicianin 155-57-7 656493 - C01870 Bisacurone epoxide 127214-83-9 14543235 HMDB0038503 - Macrocarpal C 142628-53-3 454459 HMDB0038705 - Ethylene brassylate 105-95-3 61014 HMDB0040459 - Pachyrrhizone 42485-00-7 | 478-09-1 442814 - - Thonzylamine 91-85-0 5457 HMDB0240222 - Chalcomoracin 76472-89-4 434768 HMDB0030069 - Maleic hydrazide 123-33-1 | 116595-47-2 | 129016-38-2 21954 - C18474 Dimethylstilbestrol 552-80-7 | 13366-36-4 3004636 - - 5,8-Epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol 53905-15-0 131752516 HMDB0039020 - 5alpha-Tomatidan-3-one 6870-84-4 4529149 HMDB0031913 - N-Propionylglycine 21709-90-0 98681 HMDB0000783 - Velloquercetin 139955-63-8 442663 - - Cavipetin C 128552-90-9 14527070 HMDB0030366 - Norpropoxyphene carbinol 42576-08-9 170672 HMDB0144299 - l-Menthol 2216-51-5 16666 HMDB0003352 C00400 2-Methoxy-4-[(1e)-3-Methoxyprop-1-En-1-Yl]phenol 63644-71-3 5319469 - - Melilotocarpan C 83013-82-5 5319350 HMDB0033697 - 2-(1-methyl-1H-imidazol-4-yl)acetic acid 2625-49-2 75810 HMDB0002820 C05828 Nidifidienol 55890-19-2 319358 - - 3,4-Dihydroxybenzenesulfonic acid 7134-09-0 189003 - C06674 5,8-Epoxy-5,8-dihydro-3-hydroxy-8'-apo-b,y-carotenal 54899-35-3 131752520 HMDB0039024 - 9-Fluoro-11beta-hydroxy-16alpha-methyl-pregn-4-ene-3,20-dione 378-45-0 235673 - - Verimol J 212516-43-3 10655013 HMDB0036522 - Chlorogenic acid quinone 24321-18-4 73759913 HMDB0029383 - Lycoricidine 19622-83-4 73065 - C08531 4-Aminopyridine 504-24-5 | 916979-36-7 1727 - - Morphine 57-27-2 5288826 HMDB0014440 C01516 Peonidin chloride 134-01-0 164544 HMDB0005797 C08726 Methylpyrazine 109-08-0 7976 HMDB0033112 - 1,4-Dimethyl-7-ethylazulene 529-05-5 10719 HMDB0036470 C09633 Samandarone 467-52-7 12315228 - C19951 Lansine 74606-99-8 5278451 HMDB0030218 - Azatadine 3964-81-6 19861 HMDB0014857 C07774 3,4-Dihydroxyphthalic acid 82784-82-5 134092 - C03223 m-Cresol 108-39-4 342 HMDB0002048 C01467 Occidentoside 77782-91-3 6440594 HMDB0030574 - 2,3-Benzofluorene 243-17-4 | 30777-19-6 9201 - - Frovatriptan 158747-02-5 77992 HMDB0015133 - Desmethylmaprotiline 5721-37-9 119409 HMDB0060993 - C.I. Pigment Red 149 4948-15-6 62555 HMDB0031986 - Sophoraisoflavanone A 69573-59-7 442822 - - Lysyl-Isoleucine 20556-13-2 7010499 HMDB0028954 - Noscapine 128-62-1 275196 HMDB0033439 C09592 1,N(2)-Propanodeoxyguanosine 120667-07-4 107870 HMDB0059780 - Phenylacetone 103-79-7 | 136675-26-8 7678 - - Potassium bicarbonate 298-14-6 516893 - C18606 Benzyl cetraxate 83544-74-5 439959 - C03256 4-(N-Maleimido)phenyltrimethylammonium iodide 17804-54-5 656709 - - Lobeline 90-69-7 101616 HMDB0039531 C07475 Lipoamide 940-69-2 863 HMDB0000962 C00248 L-Homoarginine 156-86-5 9085 HMDB0000670 C01924 Benzylamine 100-46-9 7504 HMDB0033871 C15562 Phenazocine 127-35-5 14707 - - 4-Hydroxyestradiol 5976-61-4 5282360 HMDB0005896 C14209 Acesulfame 33665-90-6 36573 HMDB0033585 - 2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one 154447-36-6 | 15447-36-6 3973 - - P-Dichlorobenzene 106-46-7 4685 HMDB0041971 C07092 L-Carnitine 541-15-1 10917 HMDB0000062 C00318 1-Phenyl-1,2-propanedione 579-07-7 11363 HMDB0035243 C17268 Prenalterol 57526-81-5 42396 - C07533 trans-Anol 20649-39-2 5474441 - C20464 2-Pyridyl hydroxymethane sulfonic acid 63541-32-2 443125 - - Methyl dihydrogen phosphate 812-00-0 13130 HMDB0061711 - Androst-4-ene-3,17-dione, 16beta-fluoro- 2838-94-0 245232 - - Cardiopetalidine 75375-44-9 441716 - C08667 1-(5-Aminopentyl)guanidine 18431-52-2 21298950 HMDB0031505 - Robustine 2255-50-7 164950 - C10736 Methylmercury chloride 115-09-3 409301 - - Mebhydrolin 524-81-2 22530 HMDB0240237 - 1-O-Acetylbritannilactone 33627-41-7 75528891 - - Girgensonine 486-30-6 442638 - C10148 Polyoxin B 19396-06-6 181352 - - Glaziovina 6808-72-6 73426 - - Feudomycin A 79466-09-4 157384 - - Mytatrienediol 5108-94-1 5282364 - - 17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol 6956-93-0 250208 - - Rugulosin 23537-16-8 | 21884-45-7 62769 - - Aspergillomarasmine A 3484-65-9 10267199 HMDB0029450 - Acetic acid trans-2-hepten-1-YL ester 16939-73-4 5363203 HMDB0032307 - Citbrasine 86680-34-4 19093029 HMDB0037797 - Oxopurpureine 32845-27-5 284998 HMDB0033522 - Squamocin L 98767-45-4 461667 HMDB0030940 - Austrobailignan 1 55955-07-2 325700 - - Oleandolide 68540-16-9 443564 - - cis-2-Hydroxypenta-2,4-dienoic acid 159694-16-3 5280361 - C00596 Hydroxyzine 68-88-2 3658 HMDB0014697 C07045 Protoaescigenin 13844-22-9 612009 HMDB0034519 - Octyl formate 112-32-3 8176 HMDB0038603 - 15,18-Ethano-3,25-methano-16,4-benzoxaazacyclotricosine-1,5,17,21,26(4H,18H)-pentone, 10,11,12,13,14,15-hexahydro-11,13,22,24,27-pentahydroxy-6,10,12,14,20,23,28-heptamethyl-, (10S,11S,12R,13S,14S)- 79486-49-0 6451082 - - 4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol 76014-81-8 104856 HMDB0041809 C19574 Fosfocreatinine 5786-71-0 135504827 HMDB0041624 - Naphthalene-2,6-disulfonic acid 581-75-9 11390 - - 3beta-Fluoro-5alpha-androstan-17beta-ol 438-19-7 247285 - - aclacinomycin S 64431-69-2 152639 - C18635 Mucronine D 38496-00-3 5373023 HMDB0029335 C10009 Cefroxadine 51762-05-1 5284529 - - Epitulipinolide diepoxide 39815-40-2 3492908 - - 5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate 2389-29-9 54675774 - C05656 Portulacaxanthin I 11042-69-6 6325831 - C08564 9-Fluoro-16-methylpregn-4-ene-3,11,20-trione, (16alpha)- 1869-95-0 235859 - - Secophenol 2394-69-6 6451394 - - Clionamide 68835-91-6 23424664 - C17092 Acamprosate 77337-76-9 71158 HMDB0014797 - Bacampicillin 50972-17-3 441397 HMDB0015540 C08122 Dicyclohexyl phthalate 84-61-7 6777 - - 21-Deoxycortisone 1882-82-2 102178 - - Neoacrimarine J 217199-08-1 10506059 HMDB0034787 - Tetraphyllin B 34323-07-4 115164 HMDB0029914 - Glucofrangulin A 21133-53-9 20054929 - - Paromamine 534-47-4 439560 - C01743 Cucumopine 110342-24-0 441561 - C08475 PM-toxin B 87879-56-9 159171 - - Thiocyclam 31895-21-3 35970 - - 2-Isopropyl-4,6-dimethyl-1,3,5-dithiazinane 104691-40-9 529055 HMDB0040333 - Fosfomycin calcium 26016-98-8 | 26472-47-9 93095 - - Brassicanal B 126654-63-5 368117 HMDB0038592 - Dimethyl telluride 593-80-6 68977 - C02677 p-Lactophenetide 539-08-2 98046 - - Inosine diphosphate 31506 135398651 HMDB0003335 C00104 Lombricine 18416-85-8 159847 - - Xanthochymuside 31654-49-6 78187444 HMDB0030609 - Toluene 108-88-3 1140 HMDB0034168 C01455 Chlorobenzene 108-90-7 7964 HMDB0041855 C06990 Tetrahydrofurfuryl acetate 637-64-9 12506 HMDB0031176 - Egualen sodium 97683-31-3 23663963 - - 2-Oxoheptanedioic acid 17126-90-8 86962 - - Zuclopenthixol 53772-83-1 5311507 HMDB0015561 - D-Methionine 348-67-4 84815 HMDB0033951 C00855 Pretetramid 3707-47-9 12305708 - C18295 D-Erythroascorbic acid 1'-a-D-glucoside 174339-86-7 131751466 HMDB0033627 - (-)-Isopiperitenone 80995-97-7 439733 - C02485 1-Methylxanthine 6136-37-4 80220 HMDB0010738 C16358 Bisphenol A bis(2-hydroxypropyl) ether 116-37-0 | 37353-75-6 8306 - - 3-Ketosucrose 1883-12-1 440773 - C05731 (1'R)-Nepetalic acid 21651-54-7 12313272 HMDB0036117 - trans-4-Nonenal 2277-16-9 5283337 HMDB0032535 - Methyl 2-hydroxybenzoate 119-36-8 4133 HMDB0034172 C12305 Bila 2185BS 154612-58-5 461204 - - Decoside 111508-63-5 441854 - C08860 [(9E)-8-Acetyloxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] 2-methylprop-2-enoate 27542-23-0 5358418 - - Mancinellin 57672-76-1 5281378 - C09127 2,4,5-Trihydroxytoluene 1124-09-0 70758 - C18317 (1S,2R)-3-Methylcyclohexa-3,5-diene-1,2-diol 41977-20-2 440399 - C04592 Bronopol 52-51-7 2450 - - Amsacrine 51264-14-3 2179 HMDB0014421 C01553 N-(1-Deoxy-1-fructosyl)tyrosine 34393-22-1 131752248 HMDB0037845 - Margrapine A 185417-68-9 102003358 HMDB0031254 - Sphingosine-1-phosphocholine 1670-26-4 | 875444-14-7 9847290 - - Thrombin Receptor Activator for Peptide 5 (TRAP-5) 141685-53-2 25254399 - - 5,7-Difluoro-1H-indole-2-carboxylic acid 186432-20-2 16789245 - - 9-Thiastearic Acid 106689-24-1 15775255 - - Brexpiprazole 913611-97-9 11978813 - - Paucin 26836-43-1 161538 - C09525 Ginsenoside Rh2 78214-33-2 119307 HMDB0039544 C22128 Arg-Lys-Arg-Ala-Arg-Lys-Glu 82801-73-8 134097 - - Rhodovibrin 5017-53-8 5366505 - - Buxamine E 14317-17-0 442970 - C10795 Ganodermic acid TQ 112430-66-7 14137643 HMDB0037893 - 4-tert-Butylcalix[4]arene 60705-62-6 | 157432-87-6 335377 - - Thyroxine sulfate 77074-49-8 131742 HMDB0002728 - Cucurbitacin I 2222-07-3 | 28580-39-4 5281321 - C08800 Glycochenodeoxycholate (1-) 640-79-9 9548796 - - 11-Dehydrocorticosterone 72-23-1 5311364 HMDB0004029 C05490 Acobioside a 31153-57-8 207908 - - arjunglucoside I 62319-70-4 14658050 - - Stanozolol 10418-03-8 25249 HMDB0003116 C07311 Uvaricin 82064-83-3 441645 - C08572 FFA(17:1) 29743-97-3 5312435 HMDB0060038 - Estra-1,3,5(10),7-tetraene-3,17alpha-diol 651-55-8 9547222 - - Lys-Gly-Asp-Ser 93674-95-4 11463858 - - 17|A-Carboxy-17|A-formyloxy Dexamethasone 473273-04-0 11729195 - - 5-Methyl-4-(phenoxymethyl)isoxazole-3-carboxylic acid 905809-10-1 8027537 - - Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside] 145033-48-3 131753152 HMDB0041511 C00641 Benzamide 55-21-0 2331 HMDB0004461 C09815 4-(4-Acetyl-piperazine-1-sulfonyl)-N-cyclopropyl-benzenesulfonamide 604761-87-7 651848 - - 6,7-dimethoxy-2-methylisoquinoline-1,3,4(2H)-trione 38973-41-0 12661260 - - Olivacine 484-49-1 96364 - C09230 1-(2-Adamantyl)-3-butylthiourea 87170-66-9 3973229 - - Isotanshinone II 98249-39-9 44425166 - - 17alpha-Estradiol 57-91-0 68570 HMDB0000429 C02537 6-[2,2-Bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid 11006-56-7 429581 HMDB0029949 - Quadrigemine A 69937-02-6 | 112295-93-9 172448 - C09234 Stearyl citrate 1337-33-3 11612014 HMDB0032521 - 6,8-Difluoro-7-hydroxy-4-methylcoumarin 215868-23-8 10176707 - - Dialifor 10311-84-9 25146 - C19028 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol 2497-59-8 75622 - - Sulfaguanidine 57-67-0 | 61116-95-8 5324 - - trans-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide 22752-93-8 5280721 - C04729 Goyaglycoside g 333333-14-5 131752341 HMDB0038350 - Fluoxymesterone 76-43-7 6446 HMDB0015316 - 2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine 178928-68-2 188942 - - 1-Phenyl-3-(pyridin-2-ylmethyl)thiourea 75160-54-2 737300 - - 5-(2-Fluorophenyl)furan-2-carboxylic acid 353761-02-1 736322 - - Vinaginsenoside R11 156398-70-8 85105824 HMDB0040781 - 1-Methylimidazolidine-2-thione 13431-10-2 2733224 - - 4-Guanidinobutanal 14049-14-0 559 - C02647 7-O-(Triethylsilyl)-10-deacetyl Baccatin III 115437-18-8 11734982 - - 1,6-Pyrenedione 1785-51-9 15699 - C18257 Cycloastradiol 78574-94-4 13943286 - - 1-[(4-Tert-butylphenyl)sulfonyl]piperazine 379244-68-5 2929804 - - Vicenistatin 150999-05-6 6438888 - - 3-Butyl-2-thioxoimidazolidin-4-one 162150-91-6 4218308 - - PGF3α 745-64-2 5280940 HMDB0002122 C06476 Bacterioruberin 32719-43-0 6441558 - - 2-[3-(2-Hydroxy-1,1-dihydroxymethyl-ethylamino)-propylamino]-2-hydroxymethyl-propane-1,3-diol 64431-96-5 125132 - - 12-Hydroxy-6-epi-albrassitriol 178330-78-4 10588128 - - Agrimol F 121693-16-1 5316827 - - Goyaglycoside h 333333-19-0 85203191 HMDB0037123 - Chlamydospordiol 157998-92-0 190904 - - 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphocholine 35418-59-8 16219824 HMDB0008048 C00157 Ala-Arg-Gly 52162-13-7 148559 - - N-ethyl-2-formylhydrazinecarbothioamide 31409-15-1 4026713 - - Streptothricin F 3808-42-2 197034 - C19785 Batrachotoxin 23509-16-2 6324647 - - 1-butyl-3-methyl-1H-imidazol-3-ium 80432-08-2 2734162 - - Saikosaponin BK1 110352-77-7 441945 - C08976 2-(3,4-Dimethoxybenzamido)thiophene-3-carboxamide 864940-71-6 4106590 - - Ethyl 5-amino-3-(bromomethyl)-4-cyanothiophene-2-carboxylate 88399-80-8 3855477 - - D-Arabinose 6748-95-4 6902 HMDB0029942 - Bazedoxifene HCl 198480-56-7 9936012 - - Suxibuzone 27470-51-5 5362 HMDB0042019 - Pyridoxal hydrochloride 65-22-5 6171 HMDB0006354 - 5-(5-Chloro-2,4-Dihydroxyphenyl)-N-Ethyl-4-(4-Methoxyphenyl)isoxazole-3-Carboxamide 747413-08-7 135446210 - - p-Toluenesulfonic acid monohydrate 6192-52-5 521998 - - Oglufanide 38101-59-6 100094 HMDB0028830 - Tolmetin sodium dihydrate 64490-92-2 23677829 - - 13,14-dihydro-15-keto-tetranor Prostaglandin E2 20675-85-8 71684706 - - N,N'-(acridine-3,6-diyl)diacetamide 15724-70-6 85070 - - 6-Fluoro-1-(4-fluorophenyl)-4-oxo-7-piperazin-4-ium-1-ylquinoline-3-carboxylate 98105-99-8 25273230 HMDB0039526 - (25R)-Delta(4)-dafachronic acid 309762-85-4 42628074 - C20839 Iliren 71116-82-0 6435135 - - N-Ethyl-9alpha, 11alpha, 15S-trihydroxy-prosta-5Z, 13E-dien-1-amide 54130-36-8 52193842 - - N-3-oxo-hexadec-11(Z)-enoyl-L-Homoserine lactone 1269663-80-0 91886142 - - Glutaminylproline 139370-58-4 11736661 HMDB0028805 - Phosphoric acid 7664-38-2 - HMDB0000973 C00009 (25S)-Delta(7)-dafachronic acid 949004-12-0 23583984 - C21077 Phenylalanylserine 16053-39-7 193508 HMDB0029004 - (1R,2R,5R,8R,9S,10R,12S)-12-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 468-44-0 443457 - - 17-keto-7(Z),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic Acid 1233715-33-7 52195786 - - 5-HEPE 92008-51-0 6439678 HMDB0005081 - Silymonin 70815-31-5 156051 HMDB0030585 - (3S)-3-benzyl-4-methyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione 50886-63-0 179574 - C20579 1-(2,4-Dimethyl-1,3-oxazol-5-yl)ethan-1-one 23012-25-1 318418 HMDB0038174 - Unii-27F71M186X 732-50-3 160543 HMDB0033481 - 17beta-Hydroxy-3-methoxyestra-1,3,5(10)-trien-16-one 24721-15-1 225729 - - 3-Indoleacetonitrile 771-51-7 - - C02938 Unii-974utb4yau 14332-17-3 13942401 HMDB0029913 - Hovenidulcioside A2 171499-80-2 85084179 HMDB0041029 - Pyriftalid 135186-78-6 9948894 - C18485 NCGC00384613-01_C25H40O5_(5beta,8alpha,9beta,10alpha,13alpha,16beta)-16-Hydroxy-17-[(3-methylbutanoyl)oxy]kauran-18-oic acid 256526-12-2 57509358 - - Calcium carbimide 156-62-7 56955933 - C19113 Saroglitazar 495399-09-2 60151560 - - N-[(3S)-2-oxothiolan-3-yl]butanamide 202284-85-3 40610542 - - 3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid 189139-96-6 131751180 HMDB0031675 - N-Acetyglutamic acid - - - - Sulfoacetic acid - 31257 HMDB0258590 C14179 Nordihydrocapsiate - 9817607 HMDB0034779 - Melibiose - 872 HMDB0000048 - 7alpha,12beta-Dihydroxy-5alpha-cholan-24-oic Acid - 5283842 - - 3-Amino-4-hydroxybenzoic acid - 65083 HMDB0304941 C12115 FFA(16:0) - 985 HMDB0000220 C00249 Val-Gln - 5253209 - - 1,6-Anhydro-N-acetyl-beta-muramate - 6323212 - C19769 1-Hydroxy-2-naphthoate - 54675865 - - [(2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methyl sulfamate - 44309678 HMDB0005034 - D-Quinovose - 439746 - C02522 FFA(17:0) - - - - Glucose - 5793 HMDB0304632 C00031 Cysteinyl-Arginine - 9835322 HMDB0028769 - (3R,4S)-3-acetamido-4-(diaminomethylideneamino)-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid - 58753595 HMDB0014698 - 2-Deoxyribose-5'-phosphate - 45934311 - - Cys-Trp - 20380880 HMDB0028786 - 4-Hydroxytamoxifen - 449459 HMDB0060530 C05011 Gly-Ala-Pro-Met-Phe-Val-NH2 - 101826598 - - Propionic acid - 1032 HMDB0000237 C00163 1-Hydroxyanthraquinone - 8512 HMDB0243898 C02980 4-Oxoniocarbonylbenzoate - 22416364 HMDB0002428 - Phenindione - 4760 HMDB0014641 C07584 1-(Ammoniomethyl)cycloheaxaneacetate - 6919078 HMDB0005015 - 5-Oxo-4,5-dihydro-2-furylacetic acid - 104 - C03586 DL-Carbidopa - 2563 HMDB0246122 - 1-Acetylproline - 322640 HMDB0242126 - Glyphosate - 3496 HMDB0252891 C01705 4,12-Dimethoxy-17-methyl-13-oxo-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-3-olate - 5149465 - - Lonidamine - 39562 HMDB0254158 - Quinoline-4-carboxylic acid - 10243 HMDB0257047 C06414 Barbital - 2294 HMDB0248870 - Saccharin - 5143 HMDB0029723 C12283 2,7-Dihydroxy-5-methyl-1-naphthoic acid - 13548877 - C20857 L-cysteinyl-L-proline - 3037777 - - Clopidol - 18087 HMDB0250359 - 2-Benzylmalate - 11229827 - C20653 (R)-Naproxen - 1302 HMDB0245654 - Arabinose - 854 HMDB0029942 - Zaltoprofen - 5720 HMDB0259983 - Ribonolactone - 111064 HMDB0001900 C02674 3'-Dephosphocoenzyme A - 642 - - LPE(20:5/0:0) - 52925146 HMDB0011519 C04438 3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid - 194501 HMDB0061643 - 3,5-Dihydroxybenzoic acid - 7424 HMDB0013677 - Asparagylalanine - 18218175 HMDB0028724 - 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)- - 135920 HMDB0015193 - Hyp-Ile - - - - Aconitic acid - 309 HMDB0247961 - 2-Aminonicotinic acid - 72930 HMDB0061680 - 5-(3-Hydroxy-4-phenylbut-1-en-1-yl)-1-[6-(2H-tetrazol-5-yl)hexyl]pyrrolidin-2-one - 53394003 - - Deoxysappanone B 7,3'-dimethyl ether - 16667741 - - spiperone - 5265 HMDB0258423 - BW-245C - 3080928 HMDB0249486 - N-(3-Chlorophenyl)-6,7-dimethoxyquinazolin-4-amine - 2051 HMDB0248054 - N-(dodecanoyl)-sphing-4-enine-1-phosphocholine - 44260123 HMDB0012096 C00550 Bisindolylmaleimide IV - 2399 HMDB0244435 - Ascochitine - 73486 - - Rotenonic acid - 6708539 - - 8(9)-EpETrE-EA - 16061182 HMDB0013659 - Gibberellin A79 - 85366860 HMDB0039623 - (2R,6S)-2,6-Diaminoheptanedioic acid - 865 HMDB0242532 - Tyr-Glu-Gln-Asp - - - - 1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine - 24778679 HMDB0007965 C00157 4-[(1-Oxo-7-phenylheptyl)amino]-(4R)-octanoic acid - 44563080 - - Halofenozide - 114994 HMDB0253040 C18791 D-Phenylalanine 673-06-3 71567 - C02265 5,8,11,14-Eicosatetraynoic acid - 1780 HMDB0252124 - L-Asparagine, N-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]- - 91746260 HMDB0000489 - tetranor-PGDM-d6 - 126456037 - - Fenhexamid - 213031 HMDB0252201 C18593 1,3-dihydroxy-N-methylacridone - 5282066 HMDB0304008 C12093 2,2-Dimethylbutyric acid - 11684 HMDB0245333 - 2-[(Pyrrolidinium-2-ylcarbonyl)amino]propanoate - 44369241 HMDB0029010 - 12,14-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid - 12310181 HMDB0035048 - 3-Guanidinopropionic acid - 67701 HMDB0013222 C03065 17-phenyl trinor Prostaglandin D2 - 91746437 - - Tyr-Asn-Gln-Asp - - - - Allobarbital - 5842 HMDB0248157 - 3-deoxy-D-arabino-heptulosonate-7-phosphate - 160647 HMDB0304124 C04691 3'-Hydroxyropivacaine - 24892799 - - 2,3,4'-Trihydroxy-4-methoxybenzophenone - 3908719 - - (-)-Neplanocin A - 490421 - - Indolizine,6,7,8-tetrahydroxy-, (1S,6R,7S,8R)- - 361923 - - Nocodazole - 4122 HMDB0255688 C13719 Quinmerac - 91749 HMDB0257043 C18891 His-Phe-Glu-Asp - - - - Chloroquine - 2719 HMDB0014746 C07625 8-Cyclopentyl-1,3-dimethylxanthine - 1917 HMDB0247431 - Indirubin-3'-monoxime - 3707 HMDB0253461 - Fluazifop - 91701 HMDB0252322 C18527 L-N5-(1-Imino-3-pentenyl) ornithine - 10198252 - - Serylthreonine - 18218241 HMDB0029049 - 2-Deoxy-D-ribofuranose 5-phosphate - 439288 HMDB0001031 C00673 Metamitron - 38854 HMDB0254501 C10930 L-isoleucyl-L-asparagine - 7016079 HMDB0028902 - 2,3,4,6-tetrahydroxy-5H-benzo[7]annulen-5-one - 135403797 - C09964 14,15-Leukotriene E4 - 52921882 - - THOS Streptonigrin - 247673 HMDB0259042 - 4,6-Dinitro-O-cresol - 10800 HMDB0245221 C18653 2-Acetylaminofluorene - 5897 HMDB0244967 C02778 UDP-N-acetylmuraminate - 1169 HMDB0011720 - 1,3,4-Trihydroxy-5-oxocyclohexane-1-carboxylic acid - 630 HMDB0012710 - 3-[(4,5-dihydro-1H-imidazol-3-ium-2-ylmethyl)(4-methylphenyl)amino]phenolate - 4920903 HMDB0014830 - (5Z)-5-[[4-(2-thiophen-2-ylethoxy)phenyl]methylidene]-1,3-thiazolidine-2,4-dione - 46233465 - - Laricitrin 3-glucoside - 44259475 - - Asn-Thr - 145453489 HMDB0028741 - 2,2'-Dipyridylamine - 14547 HMDB0245355 - Gln-Phe-Glu-Lys - - - - Dicamba - 3030 HMDB0251180 C18597 O-Phospho-L-tyrosine - 30819 HMDB0006049 C06501 9,10-Epoxystearic acid - 15868 HMDB0247617 C19418 (Aminomethyl)phosphonic acid - 14017 HMDB0240707 C11033 Z-Ala-Asn-OH - 6994991 - - Isoguvacine - 3765 HMDB0253644 C13694 1-[(5-chloro-1H-indol-2-yl)carbonyl]-4-methylpiperazine - 4908365 HMDB0253737 - Cysteylalanine - 20574727 HMDB0028768 - (Z)-N-[5-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]pentyl]-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enamide - 124587500 - - 2-(N-Morpholino)ethanesulfonic acid - 78165 HMDB0246678 - Ser-Trp - 14409363 HMDB0029050 - Asn-Leu - 18218182 HMDB0028735 - Radafaxine - 9837966 HMDB0257092 - Leonurine - 161464 HMDB0254014 C16985 (9alpha,15R)-N-(1,3-Dihydroxypropan-2-yl)-9,15-dihydroxy-11-oxoprosta-5,13-dien-1-amide - 57347686 - - Glu-Asn-Lys-Asp - - - - 5-cis-15(R)-Iloprost - 13066907 - - Glu-Thr-His-Glu - - - - Propionic acid, 2-amino-3-ureido- - 348153 - - 4-Methoxy-6-(beta-D-glucopyranosyloxy)benzofuran-5-propionic acid - 10250244 HMDB0041285 - 4-{[(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)carbonyl]amino}benzoic acid - 2126 HMDB0248270 C15619 Egtazic acid - 6207 HMDB0251718 - 1-(1-Propanoylpiperidin-4-yl)-3-[4-(trifluoromethoxy)phenyl]urea - 44142782 - - 2-Methoxynaphthalene - 7119 HMDB0032861 - 3-(2,4-dihydroxyphenyl)-1-{3-[5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethyl-2H-chromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}propan-1-one - 131832800 HMDB0126375 - L-Stercobilinogen - 440783 HMDB0004157 C05789 Hydroxyspheroidenone - 16061267 - - xi-7-Hydroxyhexadecanedioic acid - 14259008 HMDB0037830 - Undecylprodigiosin - 135433360 - - O-succinylcarnitine - 71464481 HMDB0255869 - Yuzu-Lactone - 10878079 HMDB0032901 - 9-Demethylmunduserone - 23724656 - - 1-Aci-nitro-2-(4-hydroxyphenyl)ethane - 126456455 - - (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid - 5282145 - - 4-Methyl-4-aza-5-pregnene-3,20-dione - 11954108 - - Gaboxadol - 3448 HMDB0252570 C13693 5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid - 131751115 HMDB0030989 - (S)-2-O-sulfolactic acid - 5459941 - C02914 Mandelonitrile - 9548674 HMDB0060486 C00561 (S)-3,7-Dimethyl-1,6-octadiene - 10887985 HMDB0061795 - 2-[3-hydroxy-2-methoxy-4-(methoxymethyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol - 131834214 HMDB0127865 - 5-Hydroxyemedastine - 14356144 HMDB0060777 - 2-(4-hydroxy-3-methoxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-3,5,6,7-tetrol - 131833104 HMDB0126722 - 3-[(2-Chlorobenzylidene)amino]-6H-dibenzo[b,d]pyran-6-one - 249677 - - 3-Hydroxydecanoyl carnitine - 121454166 HMDB0061636 - Ticlopidine N-Oxide - 71752573 HMDB0060899 - 1-(11Z-octadecenoyl)-2-(9Z-octadecenoyl)-sn-glycero-3-phosphocholine - 53478721 HMDB0008071 C00157 3,4-Dihydroxy-5-sulooxycyclohexene-1-carboxylic acid - 131836363 HMDB0130162 - [2-(methoxymethyl)-5-(3,5,6,7-tetrahydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid - 131834208 HMDB0127859 - Tovophyllin B - 509268 HMDB0030556 - tetracenomycin F1 methyl ester - 443785 - - Ethanone, 1-(2-methyl-1-cyclopenten-1-yl)- - 137847 HMDB0061898 - (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one - 10131032 - C21443 6-phospho-5-dehydro-2-deoxy-D-gluconic acid - 441202 - C06893 4-(Acetylamino)-3-methoxyphenyl hydrogen sulfate - 86290014 HMDB0062550 - Avermectin A1a aglycone - 11953990 - C11980 N-(2-methyl-3-chloro-5-hydroxyphenyl)anthranilic acid - 15817775 HMDB0060010 - 2-Hexyl-1,3-dioxan-5-ol - 74361 HMDB0039668 - Clavaldehyde - 15517793 - C06661 3-O-Caffeoyl-1-O-methylquinic acid - 131752768 HMDB0039959 - 3-Methylazelaic acid - 22450170 HMDB0059754 - NCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one - 75411900 - - 5-amino-1-(5-phosphonato-D-ribosyl)imidazole-4-carboxylate - 24916886 HMDB0062424 - 6,11-dihydroxy-2,2,5-trimethyl-12-(6,8,11-trihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-5,10-dihydro-2H-1-oxa-5-azatetraphen-10-one - 131838916 HMDB0135314 - 2-(2,6-dihydroxy-4-{6-hydroxy-7-[(2E)-3-methyl-4-(sulfooxy)but-2-en-1-yl]-1-benzofuran-2-yl}phenyl)-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid - 131832640 HMDB0126205 - 3-{[(2E)-4-amino-4-oxobut-2-enoyl]amino}-L-alanyl-L-isoleucine - 86583461 - C20963 Barbamide - 11465376 - - alpha-1,5-L-Arabinotetraose - 72734308 - C20572 1H,10H-Pyrrolo(1,2-c)purine-9,10,10-triol, 2-amino-3a,4,5,6,8,9-hexahydro-5-hydroxy-4-(hydroxymethyl)-6-imino-, 9-(hydrogen sulfate), (3aS,4R,9R,10aS)- - 92029435 - - alpha-D-ribose 1-methylphosphonate 5-phosphate - 70678985 - C20423 1-(beta-d-Glucopyranosyloxy)-3-octanone - 129885032 HMDB0031315 - [4-(8-hydroxy-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid - 131837236 HMDB0133303 - dTDP-beta-L-evernosamine - 86289139 - C20765 4,5-dihydroxy-3-(sulfooxy)cyclohex-1-ene-1-carboxylic acid - 131836365 HMDB0130164 - 1-Stearoylglycerophosphoserine - 74819135 HMDB0061698 - 5,8-dihydroxy-2-(1-hydroxy-3-methoxy-4-oxocyclohexyl)-3,7-dimethoxy-4H-chromen-4-one - 131835564 HMDB0129296 - Propanoyl phosphate - 1034 - C02876 Eriocarpin - 441858 - C08865 31-Hydroxy rifabutin - 156908057 HMDB0060754 - (2-Methoxy-4-prop-2-enylphenyl) 4-sulooxybenzoate - 131838874 HMDB0135252 - 3-Oxalomalic acid - 439620 HMDB0245962 C01990 4-Carboxymuconolactone - 543 - C01278 {6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-8-yl]-4,5-dihydroxyoxan-3-yl}oxidanesulfonic acid - 131833622 HMDB0127258 - Hydroxybuprenorphine - 134819270 HMDB0060547 - Gibberellin A34-catabolite - 443462 - - (S)-Atpa - 447407 - - Desbutyllumefantrine - 9934522 HMDB0061083 - 4-Oxohex-2-enedioate - 5280500 HMDB0060348 C02222 Rifamycin W - 10100825 - - (2R)-trihomocitric acid - 24892804 - - L-Galactonic acid - 12310779 - - Bis(glutathionyl)spermine disulfide - 24892795 - - (1R,2R)-3-chlorocyclohexa-3,5-diene-1,2-diol - 443964 - - {4-[5-hydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-2H,8H-pyrano[2,3-f]chromen-4-yl]phenyl}oxidanesulfonic acid - 131832548 HMDB0126104 - Morellinol - 5364072 HMDB0034352 - dTDP-N-hydroxy-beta-L-evernosamine - 86289137 - C20766 Rifamycin W-hemiacetal - 24892778 - - Streptomycin 6-phosphate - 11953794 - C01138 Queuosineueuosine - 42119 HMDB0059662 - 2-hydroxy-2H-pyran-4,6-dicarboxylic acid - 440647 - C05375 6-{[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131833063 HMDB0126681 - (Z)-(4-hydroxyphenyl)acetaldehyde oxime - 5459810 HMDB0304004 C04353 Acetyl citrate - 54454045 HMDB0059808 - Hydroxy-beta-cyclocitral - 25201359 - C19731 (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate - 5281976 - - Lolicine B - 72734311 - C20585 4-Chlorophenol - 4684 HMDB0246398 C02124 FD And C Green No. 1 - 73226 HMDB0032768 - 3-(2,4-Cyclopentadien-1-ylidene)pregn-4-en-20-one - 247749 - - [(1S,2S,6R,10S,11R,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] dodecanoate - 24837274 - - 6-Methoxy-3-methyl-2-all-trans-heptaprenylhydroquinone - 50986072 - - PG(16:1(9Z)/22:4(7Z,10Z,13Z,16Z)) - 52926490 HMDB0010596 C00344 PA(14:1(9Z)/22:4(7Z,10Z,13Z,16Z)) - 52928728 HMDB0114806 - 3-Isobutanoyl-3',4-di(isovaleryl)sucrose - 122706629 - - N-(Adamant-1-yl)-6-isopropyl-4-oxo-1-pentyl-1,4-dihydroquinoline-3-carboxamide - 25034551 - - Phenylalanylglycylarginine - 18223192 - - {[(2Z)-2-(phenylmethylidene)heptyl]oxy}sulfonic acid - 131832935 HMDB0126522 - Leu-Arg-Leu - 7408737 - - Siphonol B - 11017910 - - Avermectin B2b aglycone - 11953970 - C11955 Leu-Ala-Arg - 9885148 - - 2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one - 57509343 - - PG(18:0/22:4(7Z,10Z,13Z,16Z)) - 52927148 HMDB0010611 C00344 (2S)-2-[(2R,3R,3aR,6S,7S,9bR)-6-(2-carboxyethyl)-2-hydroxy-3a,6,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydrocyclopenta[a]naphthalen-3-yl]-6-methylhept-5-enoic acid - 401425 - - 1-[18-Hydroxyoeoyl]-2-[18-hydroxy-lioleoyl]-sn-glycerol 3-phosphate - 91819824 - C00641 2-Methylbacteriohopane-32,33,34,35-tetrol - 42608317 - - Quinovic acid 3-O-(6-deoxyglucoside) 28-O-glucosyl ester - 3829741 - - Labd-13-en-8alpha-,15 diol - 49859626 - - 1-Oleoyl-sn-glycero-3-phosphate(2-) - 46173225 - C00641 2-[[(E,2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadec-4-enoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium - 5283597 HMDB0011698 - Crenulatoside A - 21574490 - - LPC(0:0/22:5) - 165415626 - C00157 2,3-bis-O-phytanyl-sn-glycerol 1-phosphate(2-) - 71581080 - - PC(22:2(13Z,16Z)/24:1(15Z)) - 53479241 HMDB0008618 C00157 Phe-Asp-Arg - 10320819 - - Phosphatidylinositol(18:1/18:1) - 5771759 HMDB0009837 - 1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol) - 9547135 - C00344 Arg-Ile-Tyr - 9825002 - - Bis[1-[(1E,3E,5Z)-1,3,5-heptatrienyl]-8-(2,3-dihydroxyphenyl)octyl] peroxide - 49859578 - - 7-Hydroxymethyl-12-methylbenz[a]anthracene - 11285 HMDB0060419 C19561 Dimethylthiambutene - 10668 HMDB0061719 - 2-hydroxy-2-(4-hydroxyphenyl)ethyl 3-(4-hydroxy-3-methoxyphenyl)oxirane-2-carboxylate - 131839289 HMDB0135793 - 1-(1Z-octadecenyl)-2-docosanoyl-glycero-3-phosphoethanolamine - 52925091 HMDB0011388 C00350 1-methyl-4-phenyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one - 2824992 - - Indole-5-carboxylic acid - 74280 HMDB0253469 - RA-Xix - 24829365 - - Nostocyclopeptide A1 - 10652683 - - 1-tetradecanoyl-2-(9Z-hexadecenoyl)-sn-glycero-3-phosphocholine - 24778615 HMDB0007870 C00157 (2-iodo-5-nitrophenyl)(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone - 10141893 HMDB0242472 - (2S)-2-amino-3-[hydroxy-[(2R)-3-icosanoyloxy-2-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxypropanoic acid - 131819806 HMDB0112539 - Phe-Trp-Leu - 14308371 - - 5-[(2E,6E,10E,14E,18E,22E,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3,6-dihydroxy-2-methoxy-4-methylcyclohexa-1,4-dien-1-olate - 25244223 - - PC(P-18:0/22:4(7Z,10Z,13Z,16Z)) - 52923974 HMDB0011259 C00157 7-Methylthioheptanonitrile oxide - 46173364 - - 1-Octadecanoyl-2-hexadecanoyl-glycero-3-phospho-(1'-myo-inositol) - 52928311 HMDB0009805 - 14-Methyldelphinifoline - 100965327 - - PA(22:0/22:4(7Z,10Z,13Z,16Z)) - 52929316 HMDB0115263 - 5-Methoxy-8,8-dimethyl-6-(2-methylpropanoyl)-4-phenylpyrano[2,3-h]chromen-2-one - 5319382 - - Bis(7-hydroxyheptyl) icosanedioate - 91383667 - - Gln-Gln-Glu - 67053722 - - 2-Aminoacridone - 121965 HMDB0245005 C12143 Avenanthramide C - 11723200 HMDB0038576 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[4-(2,6-dihydroxyphenyl)-3-hydroxy-2-methylbutan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131832683 HMDB0126248 - PC(15:0/20:4(5Z,8Z,11Z,14Z)) - 52922330 HMDB0007949 C00157 [3-hexadecanoyloxy-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate - 10771393 - C00157 1,2-Didocosanoyl-sn-glycero-3-phosphoserine - 52926050 HMDB0112727 - (Z)-7-[(1R,2R,3S,5S)-2-[(E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxyprop-1-enyl]-3-fluoro-5-hydroxycyclopentyl]-N-ethylhept-5-enamide - 124519674 - - Hexacosanoyl carnitine - 53477828 HMDB0006347 - Trilinolein - 5322095 HMDB0005474 C00422 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoserine - 46891802 HMDB0012358 - (E)-S-1-Propenyl thiosulfate - 101409344 HMDB0041079 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131838883 HMDB0135263 - 12-Deoxyaklanonic acid - 53297358 - C12420 Thermozeaxanthin-15 - 23724618 - - 4-Nitro-3-(trifluoromethyl)aniline - 94955 HMDB0246246 - Avermectin B2b monosaccharide - 11953972 - - N-phenylbiphenyl-4-carboxamide - 788883 - - Hydroxychlorobactene glucoside - 23724603 - - 5-Bromo-3-(2,4-dibromo-6-hydroxyphenoxy)benzene-1,2-diol - 131841456 - - All-trans-decaprenyl diphosphate(3-) - 25245574 - - Peniciside - 60208840 - - Docosanoic acid, 1-[[(1-oxooctadecyl)oxy]methyl]-2-(phosphonooxy)ethyl ester, (R)- - 9547175 HMDB0114887 - PS(22:0/22:4(7Z,10Z,13Z,16Z)) - 52925834 HMDB0112730 - Benzquinamide - 2342 HMDB0014905 - Tyr-Tyr-Arg - 9805993 - - 1-Eicosanoyl-2-tetradecanoyl-glycero-3-phosphoserine - 52925974 HMDB0112511 - Bisacutifolone C - 15479053 - - Asn-Glu-Lys - 10309509 - - PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z)) - 131820002 HMDB0112880 - 1-Docosanoyl-2-eicosanoyl-glycero-3-phosphoserine - 52925826 HMDB0112719 - [(2S,4R,5R,5aS,6S,8S,9aR,10aS)-6-acetyloxy-2,4,8-trihydroxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethyl-9-methylidene-2,4,5,6,7,8,9a,10-octahydro-1H-benzo[g]azulen-5-yl] benzoate - 5316350 - - PS(22:2(13Z,16Z)/22:4(7Z,10Z,13Z,16Z)) - 52925895 HMDB0112782 - 3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate - 192726 HMDB0059637 C01244 1,2-Dierucoyl-sn-glycero-3-phosphocholine - 24779126 HMDB0008578 C00157 1-(1Z-hexadecenyl)-2-docosanoyl-glycero-3-phosphocholine - 52923914 HMDB0011223 C00157 PC(22:5(4Z,7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 53479327 HMDB0008682 C00157 Arg-Lys-Arg-Ser-Arg-Lys-Glu - 24868213 - - 1-Docosanoyl-2-octadecanoyl-glycero-3-phosphoserine - 52925957 HMDB0112712 - PC(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52923147 HMDB0008321 C00157 N-(4-(1H-1,2,3-triazol-1-yl)benzyl)-2-(2-isopropylphenyl)-5-methylpyrimidin-4-amine - 60167849 - - Arginylasparagine - 9900579 HMDB0028704 - L-Tyrosyl-L-Threonine - 25206828 HMDB0029115 - (14S)-9,20,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol - 5317313 - - Ser-Ile-Asn-Lys - - - - Thr-Asn-Ile-Asp - - - - Ala-Val-Lys-Arg - - - - Lys-Nap-OH - - - - (2S,3R,5R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one - 439770 HMDB0030180 C02633 HoPhe-Abu-OH - - - - Val-Ala-Ser-Asp - - - - Asn-Val-Glu-Glu - - - - Ser-Tyr-Asp-Glu - - - - Undeca-2-ene-8,10-diynoic acid isobutylamide - 562564 - - Asp-TyrMe-OH - - - - (2R,3S,4S,5R,6S)-2-[[(2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(3,4,5-trimethoxyphenoxy)oxane-3,4,5-triol - 23928091 HMDB0038714 - (8E,10Z,13Z,15E,19Z)-7,17-dihydroxydocosa-8,10,13,15,19-pentaenoic Acid - 11588593 - - Ser-Glu-Tyr-Glu - - - - Val-HoPhe-OH - - - - (1S,4aS,12aS)-3-carbamoyl-1-(dimethylammonio)-4a,6,7-trihydroxy-11-methyl-4,5-dioxo-1,4,4a,5,12,12a-hexahydrotetracen-2-olate - 51527838 - - PtdIns-(5)-P1(1,2-dioctanoyl) - 53394543 - - Ile-Phe - 7009595 - - Thr-Lys-Gln-Lys - - - - 11b-Prostaglandin F2a-d4 - - - - Asn-Arg-Gln-Lys - - - - Lys-Thr - 16049576 HMDB0028961 - Ile-Phe-Gln-Glu - - - - Thr-Ser-Phe-Asp - - - - Phe-Ser-Tyr-Asp - - - - Ala-Glu-Ser-Glu - - - - Totarol-19-carboxylic acid - 10381061 - - Leu-Thr-Ser-Lys - - - - GW-9662-d5 - - - - DAN-1 EE - - - - Tyr-Met-OH - - - - Gal1-4Gal1-4GlcNacSp - - - - Ile-Phe-Val-Lys - - - - Asp-Ile-Ala-Lys - - - - Tyr-Nap-OH - - - - Ala-Lys-Leu-Asp - - - - Oleic Acid-biotin - - - - Phe-Ser-Leu-Phe-Asp - - - - (2R,2'R)-3,3'-disulfanediylbis(2-acetamidopropanoic acid) - - - - Asp-Gln-Ala-Asp - - - - Ile-Asp-Lys-Lys - - - - Leu-Tyr-Gln-Glu - - - - Prostaglandin F2 Ethanolamide-d4 - - - - Ala-Tyr-Glu-Asp - - - - Asn-Glu-Thr-Glu - - - - Asn-Phe-His-Asp - - - - 17-phenoxy trinor PGF2 ethyl amide - - - - Ala-Asn-Asp-Asp - - - - Ser-Val-Asn-Glu - - - - TyrMe-Abu-OH - - - - Arg-Glu-Asp-Arg - - - - Asn-Tyr-Glu-Asp - - - - Ala-Phe-Ile-Arg - - - - Leu-Gln-Ile-Arg - - - - Lys-Thr-Ser-Asp - - - - Tyr-Phe4Cl-OH - - - - Abu-Ala-OH - - - - JWH 007-d9 - 53394092 - - TyrMe-TyrMe-OH - - - - Aspartylasparagine - 18218190 HMDB0028748 - 2-Hydroxyoct-1-enoylglycine - 137220382 HMDB0094738 - 3-Hydroxy-8'-apo-epsilon-caroten-8'-al - 131752080 HMDB0036885 - (1R,6S)-6-amino-5-oxocyclohex-2-ene-1-carboxylic acid - 49852389 - C19831 4-(8-Methyl-9H-1,3-dioxolo(4,5-h)(2,3)benzodiazepin-5-yl)benzenamine - 3538 HMDB0252997 C15040 (1S,6S,7R)-6,7-dihydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylic acid - 100929805 HMDB0034265 - (2R,3R,4S,5S)-5-(1-hydroxyethyl)oxolane-2,3,4-triol - 439724 - - 4-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate - 9543390 - - inositol-1-phospho-N-(2-hydroxyhexacosanoyl)-4R-hydroxysphinganine - 131801258 - - Asn-Arg-Glu-Ser-Leu - - - - TG(16:1(9Z)/18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) - 56936786 HMDB0048957 C00422 [2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate - 25244533 - C00422 1-Linoleoyl-3-arachidonoyl-sn-glycerol - 131801986 HMDB0056286 C00641 TG(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 9546054 HMDB0052799 C00422 Leu-Tyr-Ser-Lys-Ser - - - - 1-pentadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycerol - 14275369 HMDB0007074 C00641 (1R,2S,4S,6R,7S,8R,9S,12S,13R,18S,19S)-6-methoxy-7,9,13-trimethyl-6-[(3S)-3-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutyl]-19-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one - 102444968 HMDB0041530 - (2S,3R,4R,4aR,6aR,6bS,8aS,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylate - 25200360 - - Val-Asn-Leu-Pro-Ile - - - - (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2E,4E)-3-methyl-5-[2,6,6-trimethyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexen-1-yl]penta-2,4-dienoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol - 129008984 - - 1,2-Di-O-(8-hexadecenoyl)-3-O-(6-sulfoquinovopyranosyl)glycerol - 131751140 HMDB0031134 C00422 TG(14:0/14:1(9Z)/14:1(9Z)) - 131753420 HMDB0042278 C00422 Leu-Ile-Tyr-Thr-Asn - - - - Met-Leu-Arg-Ala-Ala - - - - 28-Noroleana-11,13(18),17(22)-triene-3,21-dione - 102588576 - - TG(15:0/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 56939001 HMDB0043654 C00422 (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-5-[3-(trifluoromethyl)phenyl]pent-1-enyl]cyclopentyl]hept-5-enoic acid - 9825293 - - Ala-Leu-Thr-Asp - - - - (2Z)-2-(16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid - 23846539 - - TG(18:3(9Z,12Z,15Z)/14:0/18:3(9Z,12Z,15Z)) - 53480546 HMDB0010497 C00422 DG(15:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) - 53478019 HMDB0007090 C00641 Lys-Lys-Leu-Phe-Tyr - - - - TG(20:2n6/20:1(11Z)/18:3(9Z,12Z,15Z)) - 9544967 HMDB0053413 C00422 [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate - 6475758 - C00422 PC(DiMe(11,5)/DiMe(13,5)) - 131770073 HMDB0061401 C00157 NCGC00169728-02_C16H22N2O4_N-Acetylphenylalanylvaline - 4583839 - - PS(DiMe(11,3)/MonoMe(11,5)) - 134159855 HMDB0061558 - TG(14:1(9Z)/14:1(9Z)/16:1(9Z)) - 56936610 HMDB0047886 C00422 DG(20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) - 9543891 HMDB0007578 C00641 TG(15:0/20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131754451 HMDB0043329 C00422 TG(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 9545731 HMDB0050809 C00422 (5R)-5,8,8abeta,9-Tetrahydro-5beta-(3,4,5-trimethoxyphenyl)-9beta-[[(Z)-2-methyl-2-butenoyl]oxy]furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole-6(5aalphaH)-one - 102088115 - - Pro-Glu-Leu-Ala-Lys - - - - DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0) - 53478006 HMDB0007077 C00641 TG(15:0/20:1(11Z)/20:1(11Z)) - 56936706 HMDB0043289 C00422 DG(15:0/18:3(9Z,12Z,15Z)/0:0) - 14275371 HMDB0007076 C00641 METABOLITES_END #END