#METABOLOMICS WORKBENCH vanvlietphd_20251119_001956 DATATRACK_ID:6722 STUDY_ID:ST004389 ANALYSIS_ID:AN007332 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 Reversed phase CH:INSTRUMENT_NAME ExionLC AD CH:COLUMN_NAME Waters ACQUITY UPLC HSS T3 (100 x 2.1mm,1.8um) CH:SOLVENT_A 100% water; 0.1 % formic acid CH:SOLVENT_B 100% acetonitrile; 0.1 % formic acid CH:FLOW_GRADIENT Over the time course, component A decreases from 95% at 0.0 minutes to 80% at CH:FLOW_GRADIENT 2.0 minutes, then to 40% at 5.0 minutes and reaches a minimum of 1% at 6.0 and CH:FLOW_GRADIENT 7.5 minutes, before rising back to 95% at 7.6 minutes and remaining at 95% at CH:FLOW_GRADIENT 10.0 minutes. Component B shows the opposite trend, increasing from 5% at 0.0 CH:FLOW_GRADIENT minutes to 20% at 2.0 minutes, then to 60% at 5.0 minutes, peaking at 99% at 6.0 CH:FLOW_GRADIENT and 7.5 minutes, before dropping back to 5% at 7.6 and 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 Pyroglutamic acid 5047.98 3092.31 8443.38 13236.05 13719.07 12393.8 51451.61 4115.6 4133.86 1783.2 4186.35 6009.5 19053.64 8501.42 4024.83 7289.09 5300.24 3496.65 2534.53 5219.31 10407.46 1080.45 9752.58 7260.16 4336.26 2298.76 3467.19 3141.85 3323.41 7127.1 5912.63 4193.62 1561.45 10153.27 8647.9 3050.72 5031.97 3788.26 11131.82 5110.88 17846.88 7763.31 4315.11 11291.08 4448.58 113964.05 3577.69 3332.51 6293.57 28899.17 7732.54 5089.17 4858.28 21681.44 4281.87 6452.27 16591.1 3738.88 3320.32 13298.76 6953.46 8509.31 5269.25 7725.35 2387.89 5121.64 5652.46 5206.1 4710.91 5165.76 3161.19 4972.63 6284.5 7334.26 58385.4 1777.64 1491.59 2842.68 3388.26 2713.66 4221.85 4844.56 2454.45 2684.32 3560.44 5247.12 2532.95 3119.21 1944.05 5416.75 2747.88 4240.85 5342.78 3368.37 2855.14 2350.18 2666.59 3169.57 3951.77 2774.53 11711.9 11700.8 11947.75 11512.19 11699.95 11945.22 11871.16 12821.22 11936.65 L-Proline 4559.07 2904.98 4873.2 6219.95 6169.8 7735.47 11037.54 5090.55 4084.95 3392 5763 7163.48 10876.21 7977.8 3040.77 5151.8 3064.59 4896.12 3730.81 3548.75 4693.06 815.17 4004.78 4730.74 2763.04 1263.86 2248.13 3067.03 2928.51 2648.76 1930.88 3645.58 691.28 3402.95 4168.81 2658.05 2560.25 2466.11 6384.58 1595.91 1146.74 2715.2 4783.11 6376.61 4871.49 11484.83 4956.49 5871.75 4023.99 7705.35 3827.79 5042.33 4886.07 6330.88 2197.28 3199.34 4373.71 3743.54 2459.82 2769.78 5528.81 6921 6243.32 4597.74 3472.8 5615.63 5168.59 5387.73 4976.72 4469.68 3916.24 3941.49 6479.93 5479.17 10564.75 7217.69 7958.11 9563.67 12631.67 5944.71 9060.57 12138.17 5459.73 5871.94 9087.52 11247.78 6424.32 8376.11 5651.33 9137.74 7740.99 10237.09 10675.49 6251.3 7995.78 9385.09 6962.46 8170.1 10951.74 6629.19 6192.4 6114.51 6193.54 6144.58 6224.22 6193.24 6110.4 6196.19 5937.93 Propylparaben 261.75 872.15 6290.31 13238.52 183264.81 43602.19 1232.86 32055.87 5171.44 323.22 216.99 2894.42 20011.14 11570.06 12536.23 4795.12 173.1 23026.79 243.99 342.18 54263.68 682.09 4140.24 1650.95 25374.5 353.26 9793.28 1002.41 292.07 1370.65 262.39 10607.33 8974.57 2081.5 1152.54 1009.33 3013.44 1216.96 4034.89 381.11 976.19 13293.54 213.61 7234.09 27359.05 5254.62 908.52 7929.13 208.51 19818.32 10910.53 1628.69 1200.71 8670.44 191.73 15743.84 214.1 1326.62 240256.43 111335.05 453.17 68792.2 205.71 208.79 361.85 14147.2 18282.9 4375.03 5998.39 15358.19 6060.18 28015.96 1179.86 344.86 763.33 14510.85 14509.74 14400.24 14888.91 14507.35 14371.36 14428.48 14225.3 14370.52 4-Hydroxybenzaldehyde 16065.73 4379.79 53334.55 98788.57 30172.75 8946.98 101122.44 18019.39 8943.83 5644.8 39912.43 26277.1 50941.75 29388.43 5589.58 43993.66 20354.54 5631.43 1589.99 1337.41 22288.12 1013.03 46179.19 14112.92 8090.78 4164.9 10594.69 18181.67 5200.01 12059.89 4452.49 11172.44 1134.01 71111.77 34301.07 3171.4 10064.03 5949.66 125696.04 11481.29 7100.66 7287.43 6409.8 40694.57 8095.72 237220.23 7138.78 882.92 15984.31 16386.25 52617.71 15892.45 71340.02 108667.21 52796.1 4717.63 33486.36 9314.05 8655.62 21070.39 42931.21 128819.11 38702.67 12235.24 4816.67 52678.05 8307.65 23530.83 6030.14 12150.45 6502.85 7166.71 34073.45 32801.31 206466.58 34468.32 34306.4 34236.41 34466.98 34359.93 34257.15 34465.82 33417.55 34424.66 4-Ethyloctanoic acid 32776 30239.77 36489.76 41054.59 18773.59 36719.89 43127.06 30447.37 32313.14 27807.49 34306.65 56477.28 52379.9 33527.12 25042.5 23445.67 35825.77 29268.86 25215.83 14827.36 28718.51 36196.96 40862.75 33020.96 29682.48 33424.23 27555.2 44644.21 30710.56 25237.98 17962.31 32094.44 31048.48 39031.81 42736.24 32778.92 24673.94 22035.95 56408.69 27631.87 35073.2 28182.74 43651.34 45661.75 26951.92 52107.29 27388.14 24598.67 30864.47 33086.17 26886.55 46030.61 49500.7 81338.42 31984.22 24279.63 45587.16 51116.88 34837.1 35805.33 46939.88 33981.53 36458.37 24616.49 20422.78 44165.66 42003.87 30300.7 29026.32 34597.13 18015.24 24071.95 35944.92 32617.09 55716.41 51488.25 85340.96 75096.53 49404.1 68872.01 55183.29 63327.34 195987.43 86949.93 61711.54 56590.25 58929.46 73690.98 159903.75 53315.7 79389.54 68687.86 50435.85 58765.96 57936.18 69635.69 88320.24 62302.16 79252.79 77376.39 29225.26 31813.86 29919.4 29974.17 30592.04 30600.33 30023.98 29967.65 30584.26 FFA(14:0) 103747.68 65186.11 16309.01 56375.3 33346.18 30136.87 53015.02 43908.17 48214.48 60398.47 60082.22 37675.7 22925.25 45595.44 45997.93 13034.42 26248.9 33967.84 30671.01 26347 49832.76 38013.68 39116.45 66702.43 47352.32 65828.95 30053.4 46022.38 90398.5 62492.77 27661.04 27740.13 43526.1 34562.33 56033.37 67046.17 75724.67 49883.42 92125.95 58334.26 37084.39 47343.17 28542.22 48940.92 59080.86 33186.09 34762.76 25518.51 26019.86 24800.6 34399.09 43625.35 41981.58 34321.97 39862.93 22921.82 7939.55 29023.99 42878.37 19512.92 37696.29 16763.95 33514.54 24818.46 20649.33 29004.22 25442.52 22811.29 28193.92 35865.36 33470.77 39378.54 27675.82 18166.72 22853.81 23761.31 23780.11 23464.74 23779.55 23654.87 23606.68 23690.83 22892.45 23675.3 2-Methylsuccinic Acid 40055.67 53294.57 40390.62 53565.17 160760.31 117767.44 83255.33 103179.2 121949.32 56129.04 39237.03 49492.41 21213.19 26911.5 114363.99 84843.94 58084.66 77435.32 79688.77 90957.66 53571.18 69348.28 19994.68 28543.64 38120.73 36264.21 10713.22 16554.63 50261.36 10364.93 10597.09 26533.05 11161.5 23852.01 21309.54 27522.58 37171.85 13099.9 28547.36 16475.58 34497.55 48151.74 40804.78 45298.28 37430.28 41991.15 83629.62 42184.79 32510.42 67132.02 28989.45 53789.96 33061.41 37484.46 46559.32 65865.58 43105.94 29921.61 76243.15 111457.79 71035.41 41831.59 54454.62 65999.8 76157.85 61514.14 76657.77 38452.05 44870.91 85326.5 94741.08 60277.12 33583.69 55935.73 60578.38 68611.38 68424.41 67791.77 68424.4 67501.15 68430.76 68154.13 65416.07 67981.91 Ketoleucine 114675.51 40032.11 108200.12 211121.54 72578.06 16288.4 112754.82 69325.97 93428.23 32857.9 161036.08 74843.49 209285.13 177317.82 42716.2 79872.7 83707.57 47955.89 14489.08 22932.04 81641.97 6422.14 71174.81 81510.4 21741.24 13039.28 30211 56419.11 10543.57 27011.52 18393.74 26936.44 4787.03 76248.72 60002.98 9470.28 68367.89 13029.15 285914.61 32711.6 16641.14 24565.14 73148.56 221639.29 81800.96 787079.72 32011.65 7655.49 33974.18 32642.68 182771.94 141004.59 116942 156023.87 186208.67 51513.09 80328.62 63642.17 40736.53 45788.87 142224.67 124771.61 228858.44 63510.27 37467.79 155454.21 76878.52 52194.74 112918.83 114264.41 86996.27 39100.24 311798.96 164639.42 378516.82 106619.66 106880.42 108535.79 107148.53 107754.37 106659.11 107753.65 103375.67 107269.22 Hydrocinnamic acid 5389.19 15904.11 4199.51 6472.89 12236.61 6292 9375.14 19836.74 1525.94 17934.84 9490.24 16141.84 16919.74 14582.71 18548.7 11878 13251.14 17991.5 24343.52 1333.88 1544.45 5902.62 6764.78 6515.68 14359.34 10507.57 9831.63 9380.86 15543.87 6522.95 6720.25 13268.51 12600.17 3891.69 3237.68 12305.92 5815.15 2331.88 8305.79 10390.6 3027.91 6708.17 7725.8 10382.21 14205.24 10836.56 6913.58 24864.16 11447.79 18410.49 9722.34 11913.35 9096.94 7580 12684.44 19696.08 5749.95 7557.71 22633.74 6642.06 8260.43 11437.43 5568.19 8620.62 16599.2 16549.1 9656.53 20233.6 19912.44 8436.19 10000.64 18187.21 12201.52 11206.88 8223.98 3381.65 2947.47 4693.82 40207.2 7371.32 3353.48 3575.76 6994.72 5036.7 5541.07 3582.64 1669.98 14913.56 7131.15 3865.76 5752.15 7917.18 32412.24 5611.7 7076.04 3934.84 11624.26 16096.01 12724.26 13026.88 14515.71 15190.76 13694.04 14349.05 13873.31 14402.85 11665.83 13732.2 13847.96 Xanthine 163680.43 212326.78 335581.38 242758.86 147350.44 77321.75 256231.61 160287.63 134949.33 130114.61 275802.24 99556.46 286673.57 244624.61 352117.85 306564.79 262542.75 285664.25 130046.08 107245.75 124173.48 38439.92 177218.33 227942.21 155033.51 108179.39 157751.22 165716.32 104698.3 14802.1 125169.52 131883.05 145927.65 248570.59 171621.84 105945.13 199172.19 85716.45 265966.97 293350.3 60589.85 69943.65 343852.04 371098.8 179667.72 230337.79 229747.95 233991.52 77692.23 167052.09 219419.65 289718.47 318479.73 389998.53 269350.87 338760.08 362791.54 265446.31 209091.14 316753.48 405674.45 433484.12 416336.19 477910.84 323055.26 241181.66 166751.48 187483.73 229076.03 277832.84 276696.27 217213.73 391410.5 422841.3 318745.36 14565.29 13077.25 14664.31 10905.89 14577.01 14368.0 13399.47 16947.02 14829.5 15734.84 14078.75 15440.95 14859.18 17296.78 15295.83 12476.51 16687.87 14664.63 15421.0 14365.11 13909.28 15117.25 13159.07 15371.2 15786.2 273747.1 273744.04 273747.55 276302.21 273791.66 277074.89 276975.29 277287.06 273909.68 Genistein 1475.28 1001.66 29668.71 7807.45 4268.01 1213.93 4990.02 2113.32 1429.37 8447.94 2719.15 2695.04 36050.3 1705.19 2622.6 6031.29 29559.62 1193.77 18144.47 401.88 2173.83 2879.21 1134.28 1751.58 1947.08 1247.71 1450.05 1558.79 40422.6 2669.06 740.95 1513.77 6543.63 3834.04 6401.41 2849.18 1239.44 1027.22 1930.99 2704.33 2734.69 3740.91 3740.61 5427.59 1343.14 121273.78 2316.08 3130.13 104273.25 17832.74 3529.6 1588.59 3982.34 17042.83 5936.16 1857.12 14772.97 3226.34 4501.86 2243.22 3531.78 2398.3 2075.81 3224.21 2883.34 26164.37 1810.44 214547.73 3620.35 1175.62 1444.24 13089.25 3038.83 18006.39 17784.23 1989.78 1714.03 2707.42 5560.02 4209.58 1907.7 1725.19 2165.98 2074.99 1977.77 2040.91 1013.59 2989.98 2339.41 1933.73 1925.49 1765.11 3305.77 2276.53 666.51 2101.18 5267.17 2421.7 5826.9 2667.18 11708.9 11696.92 11697.12 11840.78 11716.23 11698.82 11740.47 11740.84 11666.46 Nicotinic acid 7540.93 5573.38 2308.18 12729.32 25320.97 2647.4 7748.92 13355.53 13696.89 7126.01 12837.13 11070.63 12426.31 6294.82 22836.51 9678.61 3762.61 27617.25 17929.84 7570.91 1112.95 3700.96 2676.07 3003.75 2687.14 633.21 690.01 942.29 1955.91 480.6 358.26 2192.14 826.54 1220.06 1282.2 1021.59 1607.8 2119.71 5561.77 2740.94 3601.41 5111.63 6876.51 5232.09 22498.01 17337.04 25585.66 6756.51 2370.26 11876.56 3928.05 7226.5 10422.37 13944.45 8467.14 4699.76 3219.32 6186.08 17377.39 2658.75 5627.48 5078.7 15408.98 22406.42 20938.38 11959.49 13404.4 4146.27 4480.49 17130.3 11331.67 5519.86 13989.42 16997.55 10450.61 10084.95 10050.45 10125.94 10215.1 10371.14 10051.38 10047.7 9973.02 10049.35 Pyridine-3,4-dicarboxylic acid 2146.44 2740.45 2424.07 3066.48 10478.53 674.28 2039.58 6001.13 5359.18 2503.28 6288.46 4166.74 4077.49 1239.31 7819.95 2233.84 1035.17 10536.24 3845.97 2951.26 1410.67 1923.21 1383.06 4489.72 5116.74 844.98 2066.71 1664.13 10523.32 716.06 428.05 1745.08 3073.6 2120.38 2372.42 2649.87 4318.03 1161.57 1855.07 3513.03 3438.75 4150.79 3530.24 1041.24 8367.82 8088.94 13498.87 4738.67 3019.83 5226.45 1799.5 2006.12 4888.87 9336.25 3894.57 1388.96 644.08 3283.23 10179.29 1864.31 2189.81 905.1 7630.29 8500.97 6661.71 3138.4 5321.14 1204.99 913.43 6739.52 8624.41 3238.66 9201.47 10761.92 6884.11 5578.5 5780.88 5959.74 5872.65 5571.6 5706.97 5564.59 5568.53 5759.4 4-Hydroxybenzoic acid 3374.75 1767.3 4884.12 8736.67 40668.22 30232.37 154189.53 6724.27 3243 2425.87 3645.39 127897.1 27173.47 5095.99 2063.15 145469.98 6449.86 2702.18 2457.55 3507.22 16884.94 598.68 2182.2 2678.17 4457.29 1735.31 11342.82 4884.54 2444.98 2455.01 1488.49 2725.32 1185.49 4837.8 5124.24 1457.97 2005.64 1436.82 16156.36 2212.9 3942.46 12187.59 2198.54 3973.24 3575.67 221585.12 2940.36 1600.83 6606.32 5383.68 3839.46 20096.93 39461.57 11533.56 5355.02 1745.59 6979.51 1424.78 23469.28 26191.43 2091.92 108750.96 4470.76 4433.32 2039.03 5166.75 4523.6 6117.54 3283.18 3161.79 2768.73 3244.07 3349.7 8012.87 48919.2 13974.42 13970.41 10793.26 16070.96 8678.08 14561.75 13029.35 14084.82 13414.79 23141.53 17756.43 16446.78 16697.88 15670.62 11702.42 16131.03 10881.28 12214.74 15699.89 800.83 11896.66 12933.46 9205.07 10718.11 14264.12 19552.55 19625.5 19602.06 19686.16 19938.55 19484.06 19687.79 19553.07 19554.64 Quinolinic acid 3786.1 7075.83 677.71 11769.88 21572.89 2678.86 9971.53 12190.39 11782.3 6054.99 10661.38 10203.87 4722.22 3342.3 20109.7 7691.67 2983.52 24836.37 13409.91 4240.31 756.91 2160.35 463.65 1616.96 1796.1 3605.72 2520.45 349.51 4006.78 380.83 2956.43 320.55 644.55 510.87 546.57 1655.4 797.07 1911.81 3449.15 1928.69 5074.72 2366.63 4917.95 3323.48 19241.58 21792.48 22968.8 4663.21 5725.08 9024.93 2116.3 5077.72 6347.17 9413.85 6667.38 3490.05 731.1 4175.5 12880.7 4016.38 3851.31 2931.58 11220.03 21790.82 15194.31 10798.1 9357.42 5697.52 3503.53 12536.28 8189.42 5344.12 12607.38 18375.83 11333.22 8917.33 9131.05 9101.78 9070.05 9592.44 9131.47 8807 8917.55 9146.77 4-Methylcatechol 1648.83 7870.58 752.01 677.51 312.01 830.33 539.95 5331.62 4889.72 5007.55 3600.63 4208.88 512.05 4186.49 11091.54 8521.69 2115.98 7196.42 76621.8 5646.99 2369.5 7188.32 2088.11 4181.94 2809.66 43318.09 682.43 2397.69 7046.03 885.28 1727.59 5685.08 12225.76 888.14 905.17 4367.63 3299.5 962.07 2089.28 1335.75 3450.99 4012.66 4782.11 2155.19 6006.38 699.13 6213.5 19230.7 2592.48 6672.27 4622.15 2161.63 2773.35 923.17 1042.32 13146.23 612.4 1991.18 7336.65 609.9 4656.61 582.16 3766.86 4747.34 11698.98 2043.68 4644.83 3806.12 2366.66 8237.07 4010.48 11523.86 4026.5 4279.33 2988.46 6989.41 7233.28 7323.37 7320.83 7351.34 7229.95 7326.69 7259.42 7310.56 L-Glutamic acid 76494.97 78341.02 125251.12 74397.57 53567.12 45360.93 97675.4 57308.11 62463.75 28325.97 86427.46 75956.48 70722.81 80276.59 50585.47 85729.72 84535.14 60221.27 36623.97 74545.57 178337.02 40035.99 105074.93 170401.21 96442.86 44980.77 67363.64 96532.89 56358.33 48438.37 134177.67 44783.66 48053.03 103192.68 141941.56 70950.61 125059.57 104883.6 108722.25 103352.61 55787.39 51918.31 85581.91 95083.12 46663.2 96693.26 70063.67 111295.6 89826.62 64052.05 124429.58 101186.34 81353.96 91687.55 54967.07 77723.38 192463.81 95008.35 40559.19 70784.56 98068.49 91859.33 122576.15 105024.93 88985.54 57343.74 138664.41 63242.01 104598.54 111229.94 66029.11 49618.01 102524.81 85790.2 149217.33 5492.78 10689.01 6587.27 17078.8 4698.79 19800.42 10538.66 11614.14 9637.11 17600.74 19174.33 10218.17 11745.61 12202.18 19897.46 9477.88 14102.38 13441.73 5459.38 14337.05 10919.22 9283.95 15168.03 11359.8 10567.04 68172.8 67756.62 68185.7 68184.92 67764.97 67774.49 67746.24 68174.69 66802.18 Succinic acid 8687.95 6618.57 6129.45 3972.05 7121.15 20686.86 6865.32 7759.09 8022.13 2203.21 5098.22 4264.96 4951.57 6292.54 6523.26 9416.41 7905.02 8121.06 506.52 4122.54 7195.03 40359.97 6323.24 5763.86 3575.02 3097.68 509.16 2963.05 2655.11 22612.74 4444.08 4418.06 2251.18 4701.68 2313.39 2244.28 7548.42 3807 11474.87 1197.91 6914.11 8213.53 4062.12 19551.66 10268.05 15447.74 6890.77 869.44 7093.47 6292.48 9725.05 13247.34 4678.2 3672.13 15474.75 7942.49 89297.14 22039.34 6050.38 1277.48 26949.42 8917.1 11799.38 12802.51 6082.24 6498.86 6431.2 8310.32 8948.08 11645.54 5680.84 7808.18 17959.26 5630.53 15257.93 4216.57 3604.05 3681.81 2501.98 2810.63 4519.15 5684.1 2986.41 4427.56 4283.72 5247.3 5186.18 5010.26 2218.5 3472.02 3236.08 4401.82 4463.16 3861.16 4032.04 4028.62 3909.6 5372.47 5639.32 12550.02 12526.29 12549.83 12471.12 12550.68 12552.51 12470.81 12529.43 12387.98 3-Indoleacrylic acid 3748.66 2495.87 2389.4 2079.79 1891.81 2503.29 2179.64 3327.3 3030.64 1771.44 3687.62 4933.42 8580.51 4835.81 2139.1 1520.58 367 1271.7 2756.23 2112.86 3777.83 2565.31 6853.25 2703.05 1585.8 451.99 711.21 4100.12 2974.3 482.58 1899.53 2847.1 791.46 4542.99 2382.47 1832.71 428.31 388.62 5847.94 1461.37 2786.54 2442.1 2375.97 4923.99 2290.18 5726 1902.17 3564.15 4051.37 2648.1 3910.78 3067.56 2248.98 2012.8 2943.69 2394.42 1044.35 2238.31 1584 2754.67 2159.4 2123.93 1610.69 2321 1919.53 3596.06 2382.16 7530.71 2746.45 2386.87 2576.25 2104.75 2257.5 1669.14 3569.74 3504.52 3442.26 3441.52 3500.87 3456.07 3500.59 3501.02 3504.57 3458.69 L-Norleucine 184756.82 153148.05 263696.27 346409.55 311179.2 216670.69 568020.9 304611.73 246986.5 220052.71 286794.26 456845.14 622807.09 295211.87 257008.3 301446.22 199175.02 306120.04 394577.86 251602.93 169903.08 72553.41 276817.83 228455.79 232768.67 90800.7 156904.07 245074.09 152840.49 98946.47 120002.13 213134.32 106935.23 263642.23 224750.5 198460.04 175749.98 53411.7 311616.51 220000.81 72871.22 155610.54 316703.19 244587.41 244656.72 673695.9 235645.36 253216 355243.23 269288.57 362644.2 222075.38 378096.57 583705.14 291332.92 159278.32 174499.46 226874.36 166354.75 257802.51 272622.83 302164.96 280813.19 454428.86 328002.89 307013.61 164872.54 253932.46 246960.01 284376.79 220956.47 198136.68 313135.4 398285.14 452108.76 3928.66 3580.93 4373.84 8657.49 4923.18 5855.26 10004.17 3912.98 3364.74 5688.95 5581.53 4211.4 4251.53 3119.42 7573.57 1574.89 7993.02 9366.66 4793.32 5644.01 4492.1 6027.59 5724.95 6913.3 4687.29 306446.75 304544.34 306470.03 306500.25 308030.94 307366.83 310708.25 302536.85 308595.25 Erythrose 2677.29 3041.69 2934.58 3448.52 6987.85 3931.58 6000.33 5786.43 8331.16 4184.87 5566 6447.25 5085.84 2349.23 4939.43 5089.32 3347.27 6521.2 4105.49 4213.11 4383.65 1497.44 2249.88 2901.7 3240.49 3253.97 2793.53 3762.14 4195.38 2018.6 2544.57 3802.1 2648.06 3849.07 4356.41 3124.45 3425.88 1574.21 2143.28 4460.33 2698.14 3184.45 4641.99 1977.03 5164.91 7654.32 7542.6 5049.41 3641.01 5097.01 3257.12 4657.16 6278.92 5647.31 3574.09 2262.6 2474.98 7586.12 5223.61 4512.55 2634.52 1563.04 4499.61 7792.31 6155.37 6710.72 5496.63 4003.89 2905.19 4147.35 6455.35 3783.53 6686.55 9087.05 4682.49 53167.44 74877.95 79191.26 65025.15 61581.78 63221.91 92487.79 68482.56 45287.98 45447.11 59021.59 55926.65 61806.05 37447.2 68500.2 45513.2 85148.52 66977.31 56841.55 76835.42 64912.83 71111.35 62051.91 64992.53 64149.63 5556.33 5582.81 5606.09 5504.97 5554.69 5555.88 5607.27 5684.92 5555.76 Leucinic acid 72914.52 247062.33 350409.8 736397.8 67121.18 73091.54 497239.64 19423.65 154485.98 35761.39 354216.31 162738.68 327695.18 263809.48 248507.71 406053.91 428133.63 68203.39 31061.79 8271.43 92154.73 6845.53 56600.34 245071.13 11635.53 34263.73 58218.53 11989.15 10468.68 11672.05 25773.33 31590.4 5619.98 25294.55 66183.7 11874.94 47099.11 21829.73 232217.69 26161.85 53018.71 43491.68 242492.17 556815.91 86642.98 313876.22 35333.45 12888.73 51002.14 93756.24 79251.25 291616.93 27255.89 87321.14 422433.51 289994.5 797873.98 362905.04 38840.72 271306.16 635814.74 225687.22 394297.81 105039.67 71165.87 356334.81 300468.95 276444.9 285679.36 95732.23 245738.6 209324.53 179575.46 121243.17 556622.74 215460.46 218065.52 217418.94 217385.41 214995.56 215984.66 216968.45 208489.31 217422.66 16-Hydroxyhexadecanoic acid 25513.34 12630.31 27827.75 29368.87 14754.07 17794.59 27436.97 17931.7 17865.11 13655.48 18220.97 37632.77 84905.71 41126.36 8034.02 12666.9 23386.56 11534.36 9255.69 6624.79 29201.72 36710.75 31651.69 44752.72 17328.28 11398.35 6258.19 12560.99 19258.66 29641.16 8274.6 19140 8718.69 16190.25 15766.38 16831.69 16374.42 10592.62 93289.69 11421.83 16857.66 35425.37 15242.17 42898.64 25449.68 54255.88 10491.7 12256.42 20922.01 13025.14 29376.74 22479.17 27215.93 26118.1 28551.79 8555.26 21212.94 15241.31 10767.55 8342.9 111194.04 28813.73 17730.16 14316.63 7463.44 45254.36 19582.21 40183.52 26888.88 10074.58 5419.41 9377.01 11850.59 12560.98 18624.11 1772.28 3873.54 5253.44 4245.02 1041.49 3379.67 2128.92 13150.99 7712.47 3773.34 1538.26 5060.03 4468.62 10444.84 1186.63 5855.72 2066.74 1075.02 1614.73 2026.25 3954.93 3448.96 3648.33 4436.92 1174.56 22081.13 21834.12 21762.99 21498.77 21355.73 21493.85 21526.39 19829.21 21761.48 Indole-4-carboxaldehyde 33396.17 17051.47 67964.8 44978.45 16783.22 7502.7 47290.29 17830.32 26913.41 13315.2 51987.8 53870.36 59045.16 64864.23 17369.84 41308.86 21611.69 15840.25 12940.41 9223.9 28872.62 3621.25 45814.79 37055.86 12155.28 7786.7 9387.29 28192.22 8652.11 15971.09 8209.54 11272.05 7138.8 27154.5 25828.11 6921.41 21208.78 4344.61 73309.17 11869.18 11513.24 13412.17 35384.59 86789.17 20021.7 74649.31 13075.8 11823.6 49681.94 21388.73 47709.93 39410.03 39897.02 37394.92 43640.07 19434.6 41440.55 22715.03 12159.38 18785.68 45893.39 67037.42 43617.47 46084.41 18064.39 29628.25 22922.42 41528.34 40901.57 24775.72 24301.75 24051.57 45259.21 49493.12 147137.07 33028.79 32496.41 33046.23 33041.37 33044.69 33457.82 32849.47 32493.47 32752.25 Pyrocatechol 2126.13 3878.85 1750.44 2250.37 569.57 1035.01 671.7 3967.61 2774.91 5474.4 2622.42 5144.45 1975.42 4280.01 5866.13 2947.96 4684.22 7191.91 13532.68 2542.32 1503.78 5460.56 2859.2 2377.66 4771.02 4564.68 611.57 1817.93 5316.07 2911.01 2216.74 4196.37 3569.89 1253.06 858.62 4500.21 2250.24 564.97 2036.94 1981.14 1509.53 4264.36 3736.18 3701.46 5207.21 5622.58 3591.83 7475.66 4012.98 4382.16 2389.13 3222.42 2372.45 739.77 2163.46 5019.59 1425.41 7848.6 4628.18 358.57 3422.26 1098.07 1906.95 3080.5 4589.74 3761.11 2417.32 8956.32 4821.33 4798.73 3401.74 4117.84 3530.86 3913.3 2848.2 4851.78 4986.45 4941.58 4847.5 5221.86 4854.75 4849.59 4745.85 5111.8 Glutaric acid 4031.25 17808.06 2041.48 10126.08 16969.78 23956.49 8640.56 15852.56 15715.42 9084.55 4483.21 21723.93 32522.75 4146.62 50550.01 15635.42 5257.63 7138.09 26360.81 2231.46 8466.42 168171.66 2877.55 1893.41 1775.85 3570.83 2840.39 2132.2 6069.8 2788.33 1152.17 3019.43 29439.82 2227.52 2025.83 5649.72 3186.33 52460.77 4104.99 2008.1 10868.42 4945.04 3767.62 5329.18 7278.28 9084.87 12549.04 74727.81 3859.67 5108.35 3067.84 21098.08 3962.49 7045.59 2338.07 10027.82 4074.3 5142.32 14520.24 85728.95 5514.1 8960.45 5613.77 6507.37 11399.01 11398.93 21046.95 10151.18 2314.82 4666.19 17127.97 3849.04 3145.37 10678.34 9904.9 23689.39 24258.96 24202.4 24256.73 24177.85 24324.48 24257.25 24191.18 24048.21 Phenylpyruvic acid 22840.42 11490.04 27858.56 52657.06 16492.76 14943.02 26673.48 16902.9 22492.96 18910.18 48024.35 19655.91 30668.04 37191.87 11740.3 17888.88 16877.34 11737.25 4357.27 8666.99 21268.04 7439.8 13183.95 18060.34 5234.03 4921.62 3272.46 12421.11 1798.75 5424.52 5268.91 9808.55 1004.41 21656.8 14880.7 1445.46 17012.26 2894 57012.47 7996.48 2529.19 7597.89 19252.78 50221.72 21527.05 99185.06 8859.54 1184.07 9082.56 10891.24 23154.51 40505.62 28350.09 36676.42 33734.3 12663.06 14563.26 21590.6 8746.57 10424.61 27611.44 31130.12 77012.45 21546.23 8834.1 34596.17 25614.27 14816.8 23303.64 28004.19 18500.8 15549.15 56387.77 40619.45 57902.97 27859.22 28164.49 27963.87 27879.32 27988.37 27880.24 27655.97 26731.28 27647.75 prostaglandin B2 33000.65 18648.56 30817.16 33558.29 16109.95 42301.31 22471.73 12222.08 15001.99 20774.02 12538.74 26607.76 26314.76 13565.19 17142.98 17403.15 37198.09 11310.04 18489.83 6815.73 13364.41 35423.28 29099.7 21092.24 13311.06 4863.93 12351.03 10515.46 21540.58 16538.44 5476.15 12426.46 28850.99 26644.57 17555.47 13163.31 9853.46 8277.06 25457.84 10078.18 14688.17 11640.76 21184.45 26193.97 15070.04 19911.79 9797.78 12870.37 10009.01 11050.7 11189.01 27088.73 20494.95 19257.24 24988.77 63340.07 38250.11 21740.57 19352.71 37328.53 28693.8 47310.7 19780.82 27283.25 18999.25 21388.93 34265.07 21697.55 18028.64 20816.41 14109.99 15094.33 11308.47 24916.84 18678.91 21631.31 21748.9 21064.9 22127.29 21400.96 21755.13 21044.19 20601.28 21751.57 Isonicotinic acid 5253.71 4432.47 7230.87 4884.58 18555.13 5996.11 5387.73 9186.98 9478.17 4070.86 12361.09 6902.15 9868.67 6117.98 10117.77 7997.7 3700.04 13736.78 6181.73 3544.65 3053.99 854.68 4756.86 6266.75 8632.33 4037.41 8883.94 4028.27 7749.64 2885.6 2950.56 15758.98 3105.51 7870.97 6147.33 6390.45 5227.52 1181.58 5517.85 5473.99 6797.43 24061.5 6582.32 5313.87 14349.57 11233.5 18958.85 4111.28 2868.85 10650.85 6196.4 8931.88 10145.16 11189.78 8537.59 8451.5 5524.87 8006.67 14573.3 3203.1 6930.69 5368.17 13473.34 16504.95 14651.77 6864.16 9057.69 3490.17 4313.54 10505.51 7914.03 4137.02 9605.14 13953.73 12355.26 9377.68 9427.36 9392.4 9348.92 9489.76 9674.31 9495.71 9497 9363.86 Sebacic acid 413455.6 365807.08 178265.71 385916.61 457205.46 563639.66 482129.91 570399.18 512178.79 500844.07 546974.06 694197.31 835760.22 655945.48 485406.08 626708.57 339064.12 683418.33 797793.84 194954.32 258638.1 217302.57 285134.58 227094.08 278442.33 260451.45 166172.67 290694.74 434448.69 65403.94 273479.05 862562.12 195321.22 249543.41 202646.88 355834.44 270553.55 72850.65 341777.02 166724.58 277297.16 630641.98 387514.88 417879.85 674400.41 645542.84 566447.12 405413.42 370571.19 999957.45 406766.79 513326.47 430617.05 494859.15 381933.57 433638.5 162113.79 198329.13 412739.71 221826.33 323811.62 344123.77 351035.38 389744.74 351758.16 595456.99 223905.21 473072.95 448508.65 424180.78 434849.83 499003.66 444221.83 443661.83 498422.71 96635.46 188537.59 96536.43 95731.04 96094.86 99290.31 97042.15 95437.77 98799.67 96261.7 99349.02 94713.61 103220.94 94303.87 94972.95 84847.0 96759.81 94845.28 98294.01 95468.33 95709.55 97422.16 97977.55 95201.34 95701.71 513120.56 514090.17 510540.03 507928.9 513031.46 516448.9 514126.13 506832.2 510436.69 2-Methylbenzoic acid 62818.29 125672.91 82347.03 175095.55 143131.54 179857.54 228509.37 106850.77 53137.16 155941.43 124880.93 288488.63 347186.05 198856.93 171264.53 133275.82 125677.74 122042.97 346992.48 50391 22976.91 131595.28 140875.65 170757.28 85431.86 29344.96 113485.59 94751.51 148262.04 13127.38 31273.79 150821.7 118627.38 98310.91 113322.59 106891.71 57730.12 28335.25 158791.66 81270.52 38585.65 104734.21 195567.24 151538.67 116641.29 162958.31 123117.37 315261.79 142597.25 164654.79 65426.94 149450.89 177359.34 166332.57 97796.7 148257.33 47542.26 82634.46 97760.25 92591.22 276943.44 307207.14 82345.77 120478.56 132774.45 213134.08 57256.01 184397.92 147853.22 86652.46 78875.31 171868.4 77680.94 212916.62 167994.42 153316.83 154268.41 154268.73 153317.58 154535.72 153830.53 153482.42 150491.59 154134.14 3-(3-Hydroxyphenyl)Propionate Acid 113684.23 409415.54 86894.39 242965.11 151564.55 154982.58 291980.08 214366.92 55774.04 1009970.78 70215.47 301112.78 192384.52 361158.59 369938.5 473791.29 482060.01 644504.92 1632159.65 31945.94 23709.29 618510.39 78088.82 103751.35 137171.9 2496125.56 620839.81 204868.45 189556.31 10583.05 25861.94 391054.64 330781.41 16228.95 15119.68 554061.54 48868.18 126671.43 74230.37 34905.89 44388.14 55789.99 88465.42 232792.1 41659.23 152356.45 24413.76 265209.73 69418.89 239160.78 76068.61 118749.29 37518.91 69199.34 205499.3 631573.65 229824.54 90288.4 396976.71 1060589.32 251956.19 250732.19 187716.78 55759.05 187215.27 116558.58 121291.52 607910.46 232789.64 321997.49 222072.84 428521.83 47022.09 218940.49 492466.3 394404.31 394520.92 395957.43 399468.93 394513.81 398046.01 394461.64 389122.05 394547.51 Citrulline 15517.48 7859.15 32131.54 21266.55 15383.78 13543.89 41461.06 15375.78 7085.8 10984.71 16378.05 13820.39 12952.67 16320.94 7968.15 16636.47 10482.64 15334.2 7684.42 9683.43 12004.47 9728.49 31960.96 3540.73 20775.81 6910.72 12474.63 30885.92 17611.07 13956.04 6018.96 16807.96 3198.86 34055.92 24415.77 21687.14 14064.17 18320.16 31930.02 17573.51 7378.32 6770.81 24457.5 16076.19 10384.83 70355.42 11692.5 17070.88 28261.44 17670.11 40339.63 23138.62 31737.02 40452.87 11578.43 8754.57 24801.79 19329.12 7801.41 10838.48 16372.01 19578.51 18747.93 19939.37 15316.22 13653.5 6196.93 15357.99 11600.55 3751.05 6946.61 6872.9 19661.13 20009.59 48845.26 16094.76 16191.63 16079.6 16191.38 16192.28 15888.89 16040.33 16044.96 16156.08 Tetradecanedioic acid 34025.46 19625.19 14682.89 32233.62 9813.36 42301.72 63850.77 38524.88 22930.28 66800.81 47263.96 77823.58 117089.04 62080.91 29579.57 30117.66 37675.75 15344.33 60971.84 12550.52 16863.57 36990.61 70296.04 45672.75 31626.55 17077.98 33091.68 46512.05 27269.71 8367.9 3865.2 37607.58 13643.28 59854.34 25803.05 42135.45 22703.24 5990.58 64499.32 17692.28 9719.45 48294.76 42791.07 57131.04 34068.1 61386.51 18564.3 27247.12 15494.81 33793.53 51123.17 42486.13 47857.52 45065.13 46673.27 50687.35 28768.78 31071.09 20262.13 26925.93 55619.72 83274.52 27059.08 30432.47 17969.51 79580.43 24788.13 86883.03 41097.02 42031.18 14364.23 47478.38 19028.73 30768.17 48207.92 66924.61 105209.76 67864.18 69520.73 65223.51 65485.65 67568.79 65623.05 68733.11 75871.07 59221.31 69970.69 73569.66 58787.35 62012.6 49567.03 67957.08 60272.42 61608.26 65142.85 68323.22 64348.08 71097.31 57272.2 63217.34 42719.14 43241.6 42611.42 42719.25 42437.51 42416.23 42727.7 42725.18 42375.13 N-Phenylacetylglycine 10156.58 201.2 684.59 2537.47 32623.12 6178.11 19680.92 1330.52 309.73 2739.48 234.32 2330.8 3006.26 257.1 1709.09 1402.22 1998.36 730.91 6186.82 166.76 1994.99 1143.31 271.94 138.55 5275.22 1075.65 285.1 154.59 68864.02 1243.72 3718.14 1202.92 2879.16 356.97 1108.01 2445.65 4338.36 714.46 150.24 618.22 8475.91 1522.21 833.98 4800.69 154.27 46363.79 289.01 373.37 48764.18 18383.68 147.17 5129.12 854.9 6709.77 1448.81 5975.19 562.17 1442.94 7027.84 4342.94 484.66 1222.9 283.32 146.1 5289.36 2795.67 389.16 81028.79 1114.78 225.75 134.33 6300.56 197.08 3260.28 9618.45 5659.46 8163.83 11579.36 12641.1 13029.83 5630.12 7687.83 5963.92 9526.72 8443.41 7768.11 3770.43 12345.04 5966.25 5349.21 11403.47 7759.98 11895.28 7402.18 3708.29 10179.14 10953.42 9390.75 10822.18 5717.4 7918.37 7959.04 7891.33 7959.13 7959.14 7905 7902.93 7665.23 7914.78 Benzoic acid 7459.8 8477.6 5445.6 12591.66 23688.87 8794.15 22604.52 8386.03 5468.49 19637.04 5931.89 6437.87 27185.4 7880.92 9406.37 9078.29 8614.47 8327.84 15629.16 1889.89 5092.16 4086.21 4486.8 4362.57 7635.85 5668.06 5503.1 6111.28 13082.27 5285.65 2363.39 7122.3 7153.92 5332.22 6989.9 8676.46 5823.04 3793.76 6239.47 5737.6 9170.6 7213.87 13363.15 12967.55 4104.23 116082.82 3586.12 11602.35 68639.5 22185.94 7142.18 6313.92 11804.74 15424.45 11595.98 9582.87 6308.28 6448.1 10164.34 5759.26 6325.18 6539.09 7483.3 7032 10942.43 20993.57 4956.77 91040.03 12414.87 6959.22 8205.35 17793.67 7038.8 11777.15 20631.2 5565.44 5387.89 6738.86 7537.44 6809.25 5527.12 5975.53 6080.14 6877.33 7427.28 7712.11 1903.86 6775.85 6354.57 6758.29 7757.97 8304.51 7258.11 5478.15 6511.35 6862.39 8341.33 10536.91 8900.27 5918.89 14281.17 14179.61 14317.92 14336.25 14199.36 14315.15 14315.66 14156.41 14195.54 Tauroursodeoxycholic acid 6677.25 5095.2 2586.47 3294.43 17094.65 2897.57 29047.95 1450.15 8918.17 21954.35 18123.93 29802.6 14774.05 12662.16 5240.03 12613.9 4939.07 6785.12 12416.1 577.43 6151.64 5741.03 8741.11 4256.8 6220.59 4159.99 2618.47 4691.72 6030.61 4288.45 12920.22 18337.39 6846.24 8583.23 9253.92 6476.1 3315.91 1812.62 3864.35 3738.19 15541.19 10779.51 6203.68 14153.59 10058.32 10748.3 13429.62 532.2 25045.11 34042.55 13809.48 20052.64 24906.43 154308.52 43447.5 13680.96 45915.43 2535.88 16629.35 3578.76 18586.37 8788.22 11237.84 13237.33 4718.8 18747.19 8496.18 12188.86 16440.92 5602.41 3458.91 12237.56 3063.9 15332.71 10258.11 1204.9 4039.33 727.2 2828.6 1096.3 6144.79 753.85 4782.82 4889.43 8229.2 5264.2 5623.15 1273.7 3343.42 7987.0 3857.31 2840.53 6288.71 575.43 7017.83 1859.77 1569.65 931.09 878.42 18988.24 18491.78 19125.51 18339.04 19039.61 19044.27 19071.28 17227.32 19038.29 Apocholic acid 1953082.27 1792816.14 2126557.19 1919911.28 1968154.89 499975.93 1813254.19 2137504.54 2626850.1 2090224.73 2143569.74 1470229.16 2187897.14 1738780.82 2324552.47 2184840.34 2075905.44 1236091.98 3512076.74 1766956.56 2018268.17 803730.29 2672820.56 2381578.31 2367435.07 1396633.2 2484387.11 1751593.12 2272993.2 753368.98 682136.17 1956792.86 1700020.23 2424297.68 2098579.68 2573917.76 2042484.77 273367.09 2273255.8 1439025.81 1192054.7 1981407.6 2341428.15 1535505.22 2192174.1 1838609.01 2439334.85 2335157.35 3039925.56 2307868.59 1829172.62 1952095.49 2128430.25 2250308.23 2321021.96 2156380.36 1888099.53 1901888.37 1865126.62 736324.18 2427707.7 1867623.9 2593505.92 2281894.51 1862032.5 2077224.81 1355685.74 2181890.21 1427542.96 2487021.42 2384794.44 2456645.97 1766546.51 1866551.62 2333533.93 11395.05 7927.84 16784.82 26904.83 27170.26 7733.64 15571.96 5851.14 7681.96 33304.52 15294.82 4804.44 28916.72 6294.88 5818.92 7300.62 15701.97 36699.35 17282.34 10773.41 13930.32 21825.53 10612.06 13786.4 16181.86 2148136.96 2146294.16 2152110.84 2152146.48 2146317.1 2153709.78 2146317.43 2146598.69 2118452.18 Undecanedioic acid 71407.81 49223.03 27735.55 70173.69 52143.16 48694.02 77252.31 65219.92 35868.17 60912.99 71871.87 83111.35 141827.89 129550.89 48517.23 53102.86 54628.98 78921.68 103111.78 7926.48 18837 17001.89 36301.39 26455.87 27360.55 31727.98 22299.22 18628.35 61218.11 13672.19 11070.22 181942.44 21730.14 31631.4 30237.06 65203.23 20249.71 5458.97 46654.38 16433.61 27791.42 92991.69 57593.71 39268.91 67492.9 196136.93 55724.24 56868.8 56843.06 144269.19 102347.11 87714.91 73070.36 133507.01 53553.04 63792.41 21882.61 29196.09 40771.07 19135.12 33201.66 45137.24 54617.07 48624.47 37153.86 91563.16 23481.34 63257.59 46120.4 36361.99 33187.24 55858.18 28284.93 76820.16 95363.65 68472.4 68914.42 69484.26 68892.03 68340.77 68750.3 68829.61 68226.64 68233.36 L-Isoleucine 16941.91 12274.92 12506.76 21232.15 35947.58 15170.91 34905.74 26554.88 24221.64 21594.13 24805.94 39986.54 54327.48 22363.59 18719.29 18943.74 9377.31 29340.21 33137.62 19621.96 5956.54 2016.58 11826.41 6357.16 13764.69 2718.62 3598.96 8903.17 7674.87 5357.8 8265 12006.07 4339.65 10807.72 9617.18 8095.32 3997.25 3214.28 22411 6529.48 6015.33 10314.39 23272.3 14972.76 18389.89 49326.17 24273.14 25474.4 17104 22037.77 15756.6 15444.45 37429.89 52912.71 14441.34 12495.63 5414.61 17434.27 16128.87 15607.87 15248.07 20414.04 19875.49 38601.31 31277.91 22523.59 14823.88 17949.79 19627.76 19526.09 12033.87 12880.94 25863.88 31293.8 29062.96 1856.43 957.24 1554.08 4112.44 1727.36 2498.62 2182.74 1179.4 687.96 2535.79 3287.7 2130.17 1450.68 956.43 2586.33 1212.69 2958.13 3500.5 1277.9 1548.47 1581.41 1588.31 1623.08 2579.97 1529.12 20061.21 20077.19 20050.2 17391 20045.15 20054.01 18657.75 19524.69 19989.33 Flavin adenine dinucleotide 25662.88 30542.22 23107.02 46780.24 30218.16 50199.15 45568.75 28852.74 35794.63 14890.24 29805.67 34238.8 35798.05 27239.66 53101.78 51167.28 40542.3 46882.9 24649.02 32534.63 17822.12 7323.26 10325.04 17643.24 10435.48 1663.56 5198.8 8097.59 19324.66 12580.15 14863.7 17083.16 11027.83 15849.27 16670.63 9545.15 26544.07 1832.8 19109.97 12407.2 34426.12 22682.71 25845.14 35624.82 35112.72 30258.94 40821.88 23974.02 6751.46 38893.41 11282.61 28235.62 22833.09 29886.3 33195.94 39408.09 53736.18 36625.29 26543.3 22370.16 51151.08 29820.55 60179.03 44375.91 34514.42 35553.45 48864.62 27392.71 39172.04 35526.18 25551.06 23973.47 34917.83 45567.13 61445.63 5097.5 6750.63 3039.9 2658.77 926.91 5253.85 4577.75 4296.45 8296.8 9123.51 13058.44 9852.96 6172.43 2595.4 8136.14 4640.1 6340.08 6896.85 7881.94 5276.77 8988.51 7482.31 36012.84 36076.35 36231.42 36382.49 36027.29 36381.03 36076.75 35617.55 36349.02 Lactic acid 57920.67 136583.46 186376.73 165496.7 40922.84 26878.1 101538.55 8438.07 27703.93 18877.04 25260.11 62050.19 23141.64 80078.18 102217.63 167702.14 207332.34 23102.72 8836.19 4643.68 56185.48 4691.64 41987.61 69312.66 10029.53 8693.83 24543.51 6729.92 1235.23 57055.9 13856.49 44531.57 1056.52 10112.41 10614.99 7290.43 45634.89 1729.81 73315.46 7700.43 12562.23 16814.58 110978.64 161109.44 56406.96 16693.96 17328.91 11073.59 6063.45 27262.9 20808.75 110577.36 7662.18 11342.19 148779.06 148905.75 291059.61 141883.88 35544.83 116422.45 186400.45 84964.13 175016.4 14522.41 21308.27 122838 53581.68 140786.93 141975.96 81570.92 16207.71 109368.65 13149.74 41617.08 115557.89 22474.58 30835.4 33773.8 39071.44 24375.95 34271.63 41287.26 21284.81 18437.87 34427.16 23694.47 26176.67 21761.35 28535.28 24462.74 32703.39 43013.82 50989.87 31351.61 28380.02 25293.2 28761.98 31443.57 35270.8 40923.73 79838.07 79826.6 79828.63 80605.88 79819.57 79090.3 79837.46 78130.19 79066.53 (S)-2-amino-6-oxopimelic acid 29075.4 17358.53 21821.71 32589.32 32742.61 26651.16 23250.18 20690.69 21357.76 11355.53 23151.29 30313.6 58414.09 45705.64 16686.84 20719.65 10665.06 14205.48 19883.11 19486.03 92492.23 10559.43 26855.49 20711.43 33924.56 9192.5 7433.63 15922.6 18649.43 35916.64 26564.45 11744.41 6971.25 31729.62 26552.26 25985.17 38374.93 7902.04 24642.28 14532.08 59016.86 39842.45 14451.33 47737.32 23141.24 26628.11 18268.07 14260.52 39845.14 31102.49 32505.18 40662.48 18512.87 27092.67 30100.04 43439.83 27668.36 12463.09 19105.46 11171.48 14966.18 37085.64 31046.23 19939.52 12143.86 21313.82 31899.15 13254.16 17892.48 43235.95 15686.54 18039.39 23182.01 21902.66 31779.03 27581.16 27323.27 27342.83 27335.88 27583.21 27337.06 27539.51 27581.08 27335.44 1,2,3-Propanetricarboxylic acid 7360.46 6218.71 21116.31 16752.49 5162.8 43538.81 29308.67 6730.29 7928.09 9113.78 27521.65 3028.25 2792.48 8345.61 5556.33 9133.44 9010.54 7085.55 4250.76 7191.3 4224.49 2315.64 4599.63 7004.96 6162.12 6852.89 5522.76 6907.07 5489.87 402 1667.23 2470.41 3790.03 7627.73 12595.09 5030.41 8537.15 3899.37 13695.84 9481.47 2695.88 2208.49 15819.24 9476.4 5505.57 8344.29 5724.23 4654.29 3278.38 3898.26 5320.09 7143.52 12046.46 8272.02 7006.32 6999 48631.49 35456.57 10568.61 127071.24 32572.45 13043.11 12084.48 12470.71 8622.15 5168.73 8043.65 6523.24 8713.62 7409.11 6803.37 33444.78 14345.94 8851.05 8496.8 14418.92 14358.55 14459.63 14457.12 14352.29 14356.79 14460.49 14457.04 14459.55 aldehydo-D-ribose 8263.31 11037.58 10421.47 7485.46 8311.95 5977.08 7993.24 9211.04 16171.27 15594.99 13933.3 7297.5 7343.63 11403.68 16973.49 28476.45 15057.71 15597.68 10323.58 7951.83 3213.21 502.24 3793.35 5282.2 4021.66 4544.07 4777.25 2924.92 4464.32 1437.25 3357.49 4216.96 2527.19 3868.05 4202.62 3895.34 6564.82 2971.6 6740.69 5263.87 2957.08 5728.32 14213.45 11440.4 15166.08 7464.84 11840.55 3469.6 2759.98 16733.63 3478.54 12089.38 9162.2 7367.75 5026.22 20072.4 20487.85 18731.32 9263.82 5630.56 16517.01 12786.53 14868.65 9458.93 12040.66 15902.57 10282.57 13047.95 10938.17 12434.64 14228.07 21000.37 16183.75 19515.35 17275.51 26007.95 19903.49 32468.97 42364.95 54471.97 30137.71 29445.75 43005.9 32132.38 11900.57 24267.42 24664.41 20090.68 30394.18 19846.65 22358.2 20608.26 22680.57 26002.27 54649.75 59815.42 23642.32 52164.51 30000.78 60727.52 14298.87 14285.84 13843.95 14367.27 14286.81 15484.91 14497.42 14504.7 14503.61 1,11-Undecanedicarboxylic acid 7820.64 3736.75 3661.48 5438.09 4189.55 4999.57 7441.02 7509.19 5277.88 5189.8 4125.77 12302.16 14425.65 10470.01 5454.93 5114.86 5824.66 6475.45 15221.38 2957.4 5413.75 2089.06 2945.81 2467.44 3924.87 3703.9 2894.59 2719.09 4163.17 3139.13 1320.41 11302.95 4121.25 3078.34 2636.09 5700.3 1266.24 1695.17 3377.58 2462.22 5055.42 7281.5 4519.56 2609.25 7399.6 25230.54 5070.88 4045.82 7407.29 11664.9 9475.31 7794.83 4651.69 16296.95 6264.61 6073.03 2312.86 2674.08 4729.03 2929.74 3182.31 3972.98 4716.78 4986.53 5173.82 5430.05 7635.38 7106.55 3502.15 5206.67 5125.51 5492.05 1637.85 7755.82 10776.45 8181.37 8013.14 8006.5 8208.82 8159.94 8042.93 8217.51 7393.44 8206.58 FAA(18:1) 78398 88212.13 123139.2 107664.02 115178.07 119259.76 329426.93 168363.76 30976.7 139447.25 175438.59 748040.69 50419.92 70741.41 83041.53 145502.99 103596.78 133048.02 73296.58 14175.66 123188.3 161394.6 150710.72 130558.56 139951.98 52077.14 28096.69 23471.53 56713.66 77635.89 195811.06 12457.25 50308.21 92512.69 113040.56 226957.19 35862.01 163482.59 74451.3 164241.97 225752.22 28160.49 80119.89 142325.71 127168.07 63751.61 132444.36 206624.44 62776.75 68790.3 188215.41 56726.26 226157.98 126341.7 143219.88 41838.51 323397.88 44987.01 88282.76 820388.61 152537.04 198270.43 157254.9 103418.34 198297.28 25878.14 80574.96 272216.92 99678.76 106819.42 125033.59 115707.33 134250.1 30796.77 154534.66 155756.9 149499.01 155971.09 147646.96 158621.07 153264.78 143201.29 151921.31 130377.91 Prostaglandin D3 1631.86 258.19 456.4 24355.07 60118.52 16574.44 19306.84 2369.79 1561.58 759.74 2565.8 1773.97 16576.75 987.67 269.86 6012.32 15292.81 651.2 5494.5 593.03 402.65 932 4131.04 1842.91 1021.87 461.82 1675.24 1076.9 1065.73 2263.88 295.1 2456.97 237.63 7575.72 463.98 86.69 1009.08 3436.04 4243.99 5872.89 22324.08 5896.83 2014.27 772.79 462.45 26729.89 697.82 146.68 370.64 1568.73 7959.46 868.8 2752.03 6441.16 13303.86 339.01 654.61 454.57 1161.58 12754.65 903.36 12541.65 372.04 1042.65 1736.67 6121.29 544.42 657.87 2485.26 885.84 237.59 2626.18 3556.85 1214.52 7989.41 19977.62 18759.39 18426.28 20666.33 18433.05 17714.38 19258.39 18478.97 19397.53 4-Hydroxy-3-methylbenzoic acid 8062.6 7786.65 6409.46 11133.08 14602.08 19118.25 16957.55 12574.64 7632.78 11741.21 11940.09 17156.98 21816.67 10439.48 12231.82 14636.54 13134.66 14552.29 28401.4 3536.53 4149.32 7840.78 7764.72 7587.8 5891.78 6104.62 6192.56 8780.85 10222.53 2163.73 2461.34 12371.49 4572.02 5442.51 5866.64 6123.12 6781.08 1443.92 9606.67 4929.08 6688.6 11389.79 14234.31 12541.73 12975.77 17396.88 11285.96 15561.31 8383.87 19211.28 8003.28 9525.47 11623.27 10531.5 9928.53 10244.4 3685.17 6288.37 9882.16 6276.3 10925.12 9840.96 6630.51 11137.11 10746.53 14361.52 1547.72 13265.69 12126.1 6803.96 3086.58 15993.86 6447.02 15496.09 15677.88 13565.76 13649.45 13647.6 13541.64 13461.43 13647.99 13660.42 13565.74 13565.99 6β-hydroxytestosterone 31.29 1.48 1.48 1.48 7.4 226.8 3325.46 512.49 44.71 12 54.64 1.48 1.48 15693.27 32.34 12.34 284.75 1.48 1.48 1.48 12.66 1.48 1.48 1.48 1.48 1.48 1.48 1.48 1.48 1.48 49.64 1.48 1.48 1.48 12.43 1.48 1.48 1.48 1.48 1.48 48.73 122.73 7.83 1.48 1.48 1.48 1722.42 1.48 1.48 65.07 147.71 43.79 1.48 9.66 14.7 8.97 1.48 1.48 1.48 18.61 1.6 1.49 35.71 7.74 1.48 1.48 3312.99 18.69 1.48 24.84 14.6 1.48 1.52 1.48 1.48 102.86 104.27 101.05 99.41 116.29 109.56 104.36 110.42 103.88 d-Myo-inositol 4-monophosphate ammonium salt 2367.73 4539.44 1291.44 839.91 526.39 7757.66 448.23 3859.04 6420.93 2187.36 5226.3 1414.26 2315.38 2562.71 4967.91 6412.26 40366.52 7845.51 5720.66 5470.89 3214.23 669.63 4159.41 4150.58 1184.97 948.72 3575.29 3410.03 2742.57 1882.27 2402.79 2741.28 1292.29 4539.39 5305.01 2712.95 10023.36 2129.56 5098.8 6815.71 4309.84 3238.37 3051.35 1733.84 627.39 6162.05 4432.24 1113.4 4182.21 3095.13 3277.98 2096.84 3550.68 5293.22 4984.45 7293.9 9315.61 10075.54 10725.4 10456.54 4030.45 3711.55 11878.35 6258.91 7817.4 3863.23 3915.82 2477.5 4658.21 15620.31 7547.65 4094.98 14033.79 5485.74 4133.32 5193.1 5009.01 5164.76 5014.37 4993.26 5205.29 5315.77 5683.96 4343.03 Taurocholic acid 9605.11 5562.45 2225.79 2598.3 7868.9 5082.75 6484.5 13713.89 3324.52 20113.42 3454.76 32485.03 67760.9 10924.58 943.25 6614.89 2560.32 3572.66 13854.33 5095.71 673.4 1143.67 16098.05 7424.36 681.16 3228.86 749.84 1940.08 2233.54 4293.91 3822.61 2174.22 972.22 9881 2102.96 2021.08 1605.63 554.73 15554.32 4341.39 974.76 7526.15 1051.47 8398.34 3851.61 7052.3 6786.74 635.43 18072.96 7722.88 13223.84 3853.59 16285.28 26558.2 17876.05 2500.64 54493.27 525.69 1191.56 1399.74 1815.64 32686.13 2068.79 876.08 971.64 10257.02 5683.42 14178.11 3858.59 10368.02 4737.35 12796.85 7641.59 1564.13 7577.36 21429.65 18653.78 20994.17 12584.36 17628.71 13064.04 4474.5 22770.01 24036.64 4145.17 4803.76 22486.07 2503.57 7966.76 5636.73 25957.69 9288.55 4091.02 16916.89 3399.78 9633.91 16734.78 41140.98 6575.49 6791.69 5920.39 5890.95 6593 6605.6 6141.33 6141.81 6748.83 Methyl hexadecanoic acid 309553.7 504370.09 508619.62 49476.33 120371.76 227877.53 436134.26 570547 273928.27 542725.5 340122.75 653485.6 325307.08 170757.23 141736.72 213090.81 451075.83 131870.31 247856.12 308987.5 407437.17 414249.79 500959.25 329909.8 194852.97 303296.31 2840872.12 760101.39 243188.31 383637.68 634044.95 382445.45 443245.81 386137.67 299636.89 197423.72 189529.35 671047.48 111267.72 325645.13 305067.01 415382.22 598571.32 264201.51 187782.57 418685.87 225960.3 647203.19 418365.28 292199.11 717161.03 467417.06 465832.32 334362.09 275440.67 305764.33 574627.46 74130.4 44077.44 515996.63 271196.26 891685.53 285434.08 263000.53 327652.35 402421.44 251745.64 1142205.79 340518.76 255270.29 256905.62 506052.88 467367.69 345461.84 241907 245989.26 248673.13 244072.45 238001.65 245055.78 244114.57 246687.59 248709.04 247624.39 4-Methoxyphenylacetic acid 20935.46 127617.25 5042.7 13004.29 28425.13 30444.45 30574.94 59091.46 3238.83 421448.39 12346.36 51838.17 19423.84 69493.45 103541.03 121732.94 123347.21 215929.41 722831.01 8384.61 1270.26 222809.39 18890.64 12096.13 31067.53 1284792 220553.52 50407.44 39653.28 8530.87 1099.32 113256.59 106561.59 11063.47 970.97 193664.16 1271.18 23531.41 9355.13 6601.63 9787.01 41113.77 14984.52 1504.52 69238.2 17430.34 29511.38 64357.75 16736.36 62265.83 9188.78 18508.99 7224.77 15933.53 32209.77 200701 10441.1 15159.68 110766.99 419930.01 16014.1 29159.17 41258.04 20331.12 49056.29 13315.44 18419.37 176692.15 25127.34 97219.82 61168.33 117663.7 7135.11 49232.06 62588.83 100992.91 101003.15 101718.67 102507.8 101201.96 101726.49 101713.42 99263.27 101052.13 20-Carboxy-leukotriene B4 30811.56 32750.68 30403.77 95039.9 42936.79 68515.82 126495.86 41379.32 43077.2 46610.52 75733.91 78373.72 107818.42 28872.83 43916.6 69414.08 88555.32 37017.24 90334.53 21752.14 30001.41 18848.65 46723.42 42507.2 27888.82 21883.64 30795.44 45575.35 31328.05 30531.68 28475.52 56877.85 18692.3 44321.4 32199.07 25971.48 27049.51 11638.81 54860.82 15483.46 71957.08 42033.31 63599.44 42009.89 59552.84 111470.12 45670.87 53038.22 37297.82 81875.85 28227.74 36233.95 56106.73 66450.59 40497.4 36953.7 32163.82 37102.43 35575.45 35731.69 50520.15 62799.1 31488.46 65732.56 58062.37 45699.91 54873.97 57791.28 50806.07 34497.11 32819.95 65634.86 30951.27 74511.11 77461.88 61335.36 60969.82 60965.67 61274.54 61274.4 61303.77 60965.83 60121.48 60794.36 3,4-Dimethoxycinnamic acid 20535.45 37682.76 35307.52 19507.02 13737.96 9717.36 11873.92 16347.11 13454.72 34808.48 60332.56 11646.84 10363.03 23117.79 47555.73 50495.76 97474.38 26218.44 11410.27 5445.87 23208 16564.92 9342.65 10937.33 26514.34 20558.55 15746.34 9952.2 8583.45 4850.6 16291.02 6500.81 40734 20422.99 15948.03 11739.12 26734.23 12303.46 15361.01 28191.19 34106.61 19119.08 35146.41 69539.42 15103.67 19031.22 39649.93 10573.82 9728.22 8868.72 36117.77 52102.18 39760.04 18452.74 22986.48 91796.46 70801.2 27811.41 60854.9 28376.95 34273.69 15451.53 51658.27 48276.48 67403.63 28533.87 27272.61 38515.51 70381.47 28408.32 24992.26 36551.73 37292.78 44016.66 29448.67 29653.28 29654.89 29652.94 29655.34 29432.85 29548.93 30103.99 29278.68 29656.79 Rhapontigenin 3707.46 34268.72 98733.9 48237.31 3786.4 74893.21 47172.78 4167.29 4497.27 25609.39 33559.12 56942.21 41924.46 15175.05 28492.34 62356.07 128056.94 2750.96 64670.77 517.27 5941.64 21340.26 70277 35185.55 3585.17 44430.32 43392.24 18498.6 2485.25 5964.88 2402.14 21899.67 80878.73 61917.65 51492.05 930.89 7376.77 46308.63 24494.34 18818.62 489.75 3741.76 69285.51 48344.91 6406.65 25374.16 2533.9 61533.2 20394.37 16047.03 2491.42 27499.22 28132.04 30957.97 13738.36 66148.12 101442.32 65411.22 13544.01 102520.26 40127.25 142276.54 22678.37 60084.13 25840.9 16302.13 52172.87 33063.45 30562.02 2977.01 4024.54 30193.95 39673.69 58800.07 32034.87 37559.72 36803.25 37266.68 37614.54 37452.41 37266.13 37829.15 37264.67 37112.93 Hippuric acid 4561.13 7199.87 28571.89 39456.15 4920.38 101515.23 12183.23 7636 9329.33 7235.19 5551.76 5137.6 6088.5 3907.98 9003.61 7484.35 7226.7 10422.94 9556.33 12117.55 5529.13 43641.86 4159.86 3011.4 3892.79 3746.02 2231.91 3101.06 6506.16 2779.33 5364.48 6598.1 5984.06 46698.38 3697.84 4015.35 4199.51 34141.61 3883.42 2342.22 9943.85 6761.26 5404.52 5512.74 18801.54 2967.33 10554.42 13930.25 5076.21 7132.32 3254.05 13202.02 5910.07 5491.86 5036.43 9056.07 33788.19 34599.98 6916.26 20750.59 7247.49 16112.13 6171.16 7531.84 6824.95 6966.44 9058.57 7706.32 5186.45 10974.65 10670.84 8451.34 5126.79 9618.87 6461.2 12411.87 16024.53 25117.4 29830.27 28050.54 8748.07 15442.01 18637.5 28551.54 40519.7 14328.88 6865.69 32004.72 19508.57 16043.24 21232.62 15876.11 18448.77 15671.84 13803.29 10764.46 17452.19 39957.15 16634.82 9053.79 21593.04 21317.74 21390.23 21586.5 21898.18 22455.01 21294.2 21371.8 21586.88 Monobutyl phthalate 49931.85 55402.96 44037.97 78103.07 49816.74 38125.38 35750.22 63612.13 59789.98 77236.37 63128.75 69342.41 57755.81 73975.8 65864.66 67302.37 65196.11 69814.35 65420.7 55317.72 39401.22 34040.34 49758.94 41559.4 37520.42 36232.3 27799.37 34867.44 38716.6 61925.67 29090.22 43108.41 46793.46 31542.42 38923.33 35658.4 49883.59 17484.16 57724.86 43395.29 58423.81 47361.48 56845.48 98211.85 62150.4 58212.04 70224.57 56057.3 43138.62 53653.46 43928.6 60977.44 50742.39 47357.71 63873.68 58411.8 57434.1 60406.57 78464.16 80919.1 89317.19 76715.31 62338.02 78461.22 78957.65 59141.79 57629.69 65501.54 73784.12 67338.47 66983.18 79774.71 64279.58 87517.63 80392.99 67120.41 68487.71 67298.94 67137.66 67609.84 67629.07 67357.44 67019.3 67168.6 Glu-Leu 13775.73 15007.8 16608.27 45071.96 23064.35 23094.91 47749.68 27500.07 22395.13 19364.27 41709.96 46137.97 55655.69 33491.68 25517.36 30809.67 18679.51 25540.81 33039.23 25077.66 11801.61 486.3 9901.65 15684.77 7089.8 2479.85 4627.85 12416.06 6951.19 671.41 2730.64 8875.11 3905.3 5582.81 21301.63 3320.42 7081 2517.39 24513.5 20728.59 16857.16 12180.87 32560.22 34877.66 15048.52 49000.23 24555.91 19991.89 13420.26 17548.44 23970.09 21391.31 42589.76 65965.14 25016.46 14463.79 23628.3 37170.95 13543.78 14719.71 33764.98 33085.15 42891.93 83844.14 34178.89 29066.91 19815.55 26788.86 32654.26 28287.87 17987.2 22311.12 49551.5 58355.08 77843.27 16277.15 20430.35 24182.27 15544.05 8593.71 19591.93 33453.32 18664.41 25248.27 23488.89 48805.96 31464.45 23960.34 17102.93 24941.58 16557.09 24096.66 22043.61 9133.26 22916.44 20389.04 20733.98 18065.77 29166.89 19815.09 31889.73 32268.96 32089.02 32262.37 32749.67 32006.3 31893.46 31532.11 31990.06 N-Acetyl-L-aspartic acid 14185.55 26353.14 17366.69 20865.23 36118.8 23619.97 21895.41 14477.91 33403.11 9729.24 13964.66 15466.4 18328.39 13213.39 21067.37 27195.04 18091.29 20304.15 12232.2 11608.84 12668.41 10520.39 8585.13 9907.02 13722.53 7712.83 6072.54 5666.73 11753.3 10698.43 9575.67 9083.43 6153.64 10053.19 7776.07 10599.26 13977.07 2624.21 9563.49 7792.25 21954 20114.99 18641.43 11427.1 18329.13 19539.61 26719.33 17012.02 9871.45 28973.42 7777.56 14388.72 13118.84 17584.78 21593.23 29057.14 22850.77 21240.97 14634.53 16771.76 18835.83 17448.78 24812.32 14806.25 15945.18 19467.09 16902.75 18807.43 17109.77 17745.17 15429.47 15651.93 13758.34 25160.51 29020.05 19191.95 19143.81 19172.31 18924.52 19331.21 19068.82 19064.06 19062.21 19194.45 Dihydroferulic acid 26692.32 52968.07 16649.07 28170.58 130332.08 20763.43 13935.42 16932.07 154479.34 46639.67 17328.66 15794.41 28410.14 36260.66 46338.27 39348.44 94690.5 50096.98 30457.92 36343.48 17357.08 8852.12 10783.42 13601.42 13249.68 29628.51 31539.79 7197.78 18211.73 7388.91 17090.78 36736.35 9113.86 10771.04 10022.7 13361.96 13692.33 3615.53 22882.13 17291.82 72024.59 47010.26 15554.67 61667.1 35320.34 30339.75 27213.25 16949.85 14926.56 62326.76 21955.61 63631.34 12513.86 21819.02 28924.22 59091.63 131002.71 85010.55 18816.47 17666.59 73467.01 14475.57 40736.11 49717.32 25776.41 45103.7 384578.79 44397.36 56419.31 20609.74 41882.21 66372.96 74668.18 37703.04 33858.7 50634.28 46970.44 46393.69 47560.87 46255.72 46265.93 46493.21 46232.01 46207.2 Disodium succinate 4492.9 1064.52 5171.77 5546.48 6110.49 22124.73 7345 6778.93 6989.41 3424.84 3273.49 6324.7 15287.08 6431.96 5966.34 9723.22 6976.53 8218.61 3077.16 3233.43 4205.46 3573.14 376.6 4855.14 3922.78 3626.65 2898.51 2971.75 4903.92 2667.94 2464.22 4330.3 2663.56 4150.46 4151.97 3122.05 3517.1 1583.12 878.63 2969.5 3145.06 348.06 1671.17 14842.25 9577.08 12157.07 4705.17 4942.81 4361.64 4649.76 4567.2 4899.38 1960.05 475.74 9756.84 4093.55 5304.73 4484.68 4412.71 350.41 21768.51 10316.53 4295.18 10710.46 4767.22 9585.91 3208.8 10564.93 7523.57 8649.35 3377.53 5206.61 10719.41 5184.94 11081.81 7909.41 7932.38 8112.98 8107.45 8130.36 7984.34 7879.04 7908.03 8121.39 Echinacoside 2066.8 8005 395.38 2963.2 14119.69 5689.76 3929.48 3322.61 480.65 2551.67 5717.54 1226.37 1790.7 2106.14 38535.38 16362.49 16197.85 37209.24 3714.52 25904.27 4497.57 864.69 475.74 567.93 2471.83 2908.17 1532.83 2894.42 9775.63 1235.5 1795.44 2780.34 9102.16 1682.01 2364.01 1260.15 4932.23 875.45 1756.54 3727.13 963.98 1421.52 6180.95 3497.22 3173.31 2262.72 22990.02 9427.77 2632.87 12415.11 1153.35 3165.53 602.9 828.82 5259.37 14817.25 2085.07 772.86 24596.22 12101.2 4696.91 777.46 11554.83 7726.53 23655.34 1626.94 9683.22 897.52 7783.18 23763.47 26441.57 4932.98 7178.16 5985.77 6118.74 7626.58 7867.24 7666.89 7027.99 7594.38 7731.75 7888.4 7867.65 7647.7 Fumagillin 28696.67 4181.32 805.2 293.51 30260.15 219514.83 27766.84 38080.27 203036 45442.29 812.45 52050.04 3509.11 699.94 90423.35 6135.75 8248.23 7946.16 31708.02 22783.12 25915.89 130815.28 1785.65 298.55 4584.42 39986.32 7234.8 252.37 11563.36 57491.64 93297 68968.37 34550.57 1741.95 235.1 17338.85 5147.36 6053.42 1465.9 590.76 161397.93 55748.76 3313.76 988.18 202278.82 25776.34 32158.94 88678.43 34841.37 3791.29 34297.78 61521.96 4202.47 768.61 70258.37 198335.96 558.71 5807.6 68500.99 338697.81 2736.62 1821.17 76020.12 13524.24 1274.6 30394.83 71963.53 872.78 537.73 3329.37 27103.84 1171.37 1373.64 488.69 2195.71 61250.55 64942.92 60148.77 60932.61 60975.62 60200.87 59969.4 61334.04 59962.71 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol 54567.83 80718.96 95355.89 42395.42 19380.93 28902.56 27047.99 52181.94 51442.17 69886.54 62228.48 59359.54 34569.86 66528.17 49556.04 39434.19 53982.51 53249.72 36156.14 45458.73 76890.26 107516.41 105125.87 111168.01 97665.12 116747.29 118121.52 97909.68 64032.57 84425.65 95049.8 59213.93 107780.98 101819.44 164751.78 102015.57 107682.68 151403.98 106510.1 121082.73 49867.48 63359.37 85505.06 79513.93 55078.49 47169.91 54265.77 71718.49 87800.79 41987.62 75276.29 80104.8 88411.85 79260.54 57717.07 76734.97 105178.47 153198.22 75907.65 86398.44 91287.41 86471.16 72628.86 68524.13 69863.22 54766.56 48526.85 74324.7 71398.63 52744.78 60288.75 54959.89 57584.48 53164.06 50502.61 109089.6 116835.25 108313.65 109520.09 100107.68 120207.35 122718.47 103924.98 105477.88 119736.81 150639.85 104450.27 109341.01 101441.74 113519.21 150141.7 119854.66 112030.29 111743.81 117327.02 117614.5 121517.6 111119.57 116135.6 97550.66 48862.42 48875.37 50037.61 47913.35 48848.13 49305.52 48849.19 49523.37 48861.48 3-Hydroxyphenylacetic acid 14400.31 33730.13 4508.11 5537.7 43125.31 51007.03 44593.01 34791.83 61795.89 22335.38 68539.88 15618.8 57103.8 39998.61 48077.5 39791.93 33644.67 46766.01 99376.04 5508.66 13550.3 2882.42 16105.04 16608.46 20436.02 35212.37 15775.76 21459.43 27225.73 2623.97 5148.23 37731.5 38876.85 7518.24 20730.73 20818.22 18758.32 8512.91 24784.06 20087.79 16668.28 24084.8 38607.49 53958.42 16123.58 37219.28 18337.33 44558.47 16105.44 45357.96 16992.32 25500.33 41569.23 48352.3 30298.55 42223.98 9548.83 12512.4 29455.08 5959.72 15183.23 5967.07 22488.1 47936.67 36874.48 29886.15 4334.9 52133.51 34468.46 53066.63 34339.52 23028.6 60094.51 35100.67 45951.17 29492.96 29649.2 29721.44 29693.29 29653.07 29424.13 29624.53 29197.26 29452.04 3'-Deoxyguanosine 41517.31 23543.74 15041.44 28971.73 69621.9 4011.78 104709.24 105550.04 68830.9 34524.74 14885.91 35574.78 29045.18 15706.08 67326.56 38309.54 25208.59 39736.86 20429.78 74314.47 55484.81 46690.36 31635.1 14640.51 56786.52 32450.96 13285.55 10649.54 98127.76 584.16 53509.16 9620.48 38610.25 27502.34 9764 63740.73 38766.42 14094.89 32860.16 13331.63 7144.26 11166.98 24374.3 13631.84 35814.85 135633.69 48255.05 55110.87 17919.16 31545.6 77592.07 25196.01 26947.13 60564.09 49319.66 23764.28 15776.93 11249.4 35758.94 18398.68 21224.2 39632.71 19974.19 29920.82 9270.25 56083.46 12611.28 26288.8 29945.22 70661.47 51850.28 38223.66 17762.93 35618.3 84540.7 45175.42 43918.38 44003.58 43757.02 43732.9 44799.33 43727.97 44288.31 44841.58 Lapachol 103341.16 170651.61 121396.94 207539.95 96651.58 253972.01 262834.13 230249.06 205352.54 283703.18 182909.07 163051.06 85640.41 266544.71 143523.78 265284.13 270559.1 193491.28 167693.95 136975.42 69983.93 105361.34 101567.24 52951.32 95385.31 98787.44 76330.34 36561.41 82380.06 162507.47 80316.97 138078.25 70226.52 43397.38 48360.49 96750.84 91365.73 27948.91 126544.73 78566.97 160839.73 150816.2 104254.79 216056.46 155970.42 255477.96 225978.51 170808.67 74481.98 135996.67 62772.26 99407.87 166887.34 145366 100656.36 194982.58 112202.11 125507.21 227985.13 198108.47 182994.71 232618.18 86720.58 256722.31 96662.15 224483.23 166341.34 96956.81 234091.33 87155.35 215899.09 279294.01 136976.83 199575.79 172129.35 2943.15 3037.01 2336.39 3292.62 2173.43 2464.27 3146.89 4192.71 1720.43 3579.16 2437.69 2126.63 3156.64 3618.16 1468.03 2827.07 3583.99 1650.51 3327.04 2464.53 4576.05 3009.47 1801.32 1811.91 3037.36 168979.85 169467.48 157785.91 166298.69 146471.65 168521.29 171568.76 163828.4 167273.04 N-acetyl-5-aminosalicylic acid 3768.39 3523.86 2430.55 2798.6 6393.04 42743.11 4071.21 8713.9 16186.68 8973.48 6049.28 9099.36 8930.01 6215.32 8403.62 12912.38 7518.28 8006 13506.68 9676.62 3141.36 745.02 4717.59 2547.51 2807.86 2855.45 2573.08 3238.79 5844.87 3276.65 4465.45 7710.45 3210.45 2277.03 2278.05 4107.2 3069.9 1424.19 5279.22 2509.47 10514.6 7104.63 3959.01 5127.37 8740.95 9755.83 8239.73 7305.74 4771.11 11002.45 3132.05 3811.11 6951.96 7424.79 4859.68 8682.9 3290.82 3441.77 5773.1 1357.16 5199.59 6864.67 3800.98 12735.73 8279.1 3058.81 5638.03 7100.39 14517.46 5844.16 6296.51 7859.21 5883.84 7951.46 6353.31 10566.36 10056.43 10889.57 9477.64 12537.28 10959 10417.65 13465.97 10021.54 d-Camphoric acid 25243.1 19659.1 16380.07 27224 61437.11 45013.7 41293.43 35863.94 27893.46 29582.05 34621.85 37066.02 46688.07 29273.48 27900.07 38688.74 26149.13 24019.32 39010.9 17483.99 18635.1 17461.01 22627.15 15738.03 16346.39 14650.89 11282.06 17814.43 22124.22 6722.06 12808.38 39632.99 14157.16 17922.92 15809.83 16385.69 15859.11 6316.3 26678.89 10002.56 20436.24 43513.7 29686.75 27436.74 31456.02 41373.81 27383.43 38794.74 22523.35 40452.3 32827.76 24307.97 27132.5 31917.9 27682.13 24587.59 12832.83 16165.63 32768.64 19058.08 39563.52 25290.62 26216.09 30171.44 27128.35 43480.67 15990.39 32261.77 29632.28 30912.74 26087.04 30876.67 28939.29 36131.05 34676.05 33640.17 33638.26 33385.37 33389.9 33634.48 34039.42 33636.95 32808.33 33642.25 Maltose 14229.24 4602.02 24136.66 5974.01 6632.08 32947.52 16940.08 6430.37 3011.22 9013.17 18144.28 5055.88 7051.07 4232.03 7139.85 4473.96 73281.45 6377.09 539.23 1517.31 6714.77 8427.69 34376.03 8654.75 23042.82 26780.76 38254.49 45390.34 21070.89 23907.8 1722.79 15084.12 9348.49 36266.2 32536.47 24115.94 19017.83 17337.98 10286.31 37505.11 14805.02 13439.51 32553.13 2560.22 10326.95 26192.62 3725.69 5254.19 24603.1 10431.83 104901.71 8738.79 54372.82 58496.49 107857.22 5690.4 12515.65 63481.06 9558.94 44725.11 5428.17 3784.42 11019.66 117784.4 6105.7 16215.05 4746.53 6061.46 3296.13 9374.12 5138.36 10161.39 26363.04 38773.76 5203.13 332062.73 591663.68 246440.03 225492.8 415982.76 241783.66 305042.22 345432.14 335645.56 176923.61 229057.92 420226.24 204076.4 319621.39 168148.02 253563.85 218541.95 233173.68 359459.55 353335.08 202292.58 258300.5 252151.9 410306.47 567674.73 18321.79 18680.87 18362.5 18649.28 18818.79 18815.14 18310.01 18848.42 18529.45 20-HETE 54108.75 27218.54 2012.9 1194.14 26139.97 16617.54 3368.92 53145.07 25171.41 2667.81 3382.15 54099.62 2055.66 1514.8 40544.85 2911.58 5553.17 42856.35 1789.03 52650.18 106297.21 23060.73 1284.63 856.12 110053.28 85942.17 2243.02 2245.71 12575.16 10918.87 20916.08 9246.22 44168.71 867.21 803.6 59062.18 70589.81 30023.29 1926.75 2777.01 23918.26 82292.72 745.96 2227.31 69504.99 1146.07 48726.2 43490.74 436.8 1131.35 43339.65 24284.62 1334.77 702.33 45147.29 37152.42 2058.47 2418.19 97445.53 24205.58 1567.76 2145.76 36932.96 2242.33 1356.15 112826.02 93254.34 700.44 3104.84 74434 51525.72 1787.63 1889.23 1486.97 1197.66 29306.83 29461.61 29324.54 29889.48 29557.95 29312.08 29311.45 29308.72 29325.1 13,14-Dihydro-15-keto-PGE2 3806.71 8010.18 6125.93 3860.67 9264.51 15470.47 3016.95 8012.79 6275.89 8504.22 3884.06 22068.59 7132.78 3294.62 18987.65 11814.33 10130.67 2767.78 10304.44 957.37 7169.59 9351.55 8580.68 5164.69 10593.82 10295.88 4459.62 3166.97 10680.66 710.1 687.36 2357.19 17140.87 3168.53 5138.95 5296.53 3423.71 1620.92 3636.94 2295.87 2449.51 5933.06 9568.71 5892.28 5647.67 4274.4 6788.33 26854.61 2935.35 3914.57 8322.41 25560.72 5438.62 8239.43 12054.53 20907.48 3439.1 3665.37 13190.81 14608.38 6428.56 8990.04 14325.24 11393.74 7159.93 13581.45 13781.35 3684.88 3765.73 11307.8 4606.14 8537.96 7350.73 8962.78 8695.24 9295.92 9420.64 9391.41 9874.77 9306.6 8421.93 9586.27 9316.44 9590 Calcium pantothenate 1469.98 3057.8 15983.55 13763.55 8566.21 7717.55 9622.86 1013.61 3344.04 425.2 6940.3 2128.93 7320.73 6700.98 8855.72 11255.52 5389.37 10844.05 1266.59 3195.88 909.82 2765.4 2027.49 2844.85 1554.17 790.44 3222.95 760.11 1274.99 3674.52 1902.23 432.16 495.47 2634.82 3126.43 3259.42 1450.66 2212.82 5391.75 1727.68 1837.05 896.19 5476.68 7557.44 2576.42 6451.79 3591.01 5283.62 3847.45 4676.26 1705.68 8617.14 8264.46 12116.99 10215.32 9871.69 44399.08 27067.56 2269.09 749.4 10364.79 5694.2 17826.93 34324.22 11026.18 7684.93 10890.11 3642.63 3558.5 5831.55 3722.15 1310.27 14280.69 24162.45 16946.73 3216.42 1050.88 3315.78 3808.71 2128.94 2686.37 2815.4 2232.42 3074.21 3173.12 1580.25 1629.43 2823.06 2700.49 2701.86 1291.45 2682.38 3365.67 2167.02 3150.42 5056.58 2681.31 2577.75 3354.39 2348.77 6451.86 6410.99 6338.53 6616.66 6340.58 6431.41 6335.45 6247.14 6403.5 Flavin mononucleotide 6956.31 18116.87 5442.8 17252.84 18869.42 17831.81 19344.68 15993.49 13873.3 3749.35 18842.03 3068.64 7598.07 10317.13 42961.46 25572.82 30742.71 40065.58 8044.41 56480.19 8505.59 1049.27 5827.41 7681.54 6263.14 3625.78 3999.8 3367.92 11293.35 7452.53 10137.5 5733.82 13299.22 4145.9 8819.29 2648.4 18284.12 3182.51 7976.21 9520.18 7029.39 1273.67 13613.4 15580.53 14344.05 11269.15 29841.86 11570.26 1487.19 16480.33 2181.13 15442.17 10661.49 8698.84 15907.75 26353.5 21195.21 18832.6 26072.37 28564.28 24594.87 12881.94 35001.85 32461.53 35411.35 6023.57 41168.5 12118.12 19113.66 34096.96 31066.47 13342.16 42714.16 23737.51 34547.06 7337.58 5203.08 5838.78 9452.85 8880.09 7234.65 7356.78 7934.03 10296.09 3446.89 12914.58 1998.09 11815.39 5278.32 3931.23 5689.81 5163.07 8435.55 10681.43 5626.92 5615.27 9756.6 5808.37 3226.79 4221.07 18891.63 18911.33 18387.8 19021.64 17227.86 18878.02 18722.44 18460.78 18402.65 4-Methoxycinnamic acid 14767.48 22687.32 11761.51 8021.94 10715.42 12686.53 12271.82 9952.09 7379.73 18756.56 41523.84 8564.69 7071.02 14649.42 28786.25 33950.85 81188.55 36597.53 9594.41 14906.11 19913.63 10052.8 3141.12 4808.28 15157.35 10420.86 12283.66 7486.26 8587.47 8309.33 46218.12 4477.4 21563.37 13629.1 40582.9 12080.83 9648.5 11557.38 6106.99 11059.1 76066 10674.1 14413.65 55524.44 9543.92 13482.92 43198.32 9300.65 7153.39 9257.86 271985.09 24864.87 23874.82 33854.15 13513.15 46202.06 13714.42 8235.86 65485.75 7953.82 21432.6 8390.68 29962.1 16919.65 23249.82 24082.07 15038.62 28348.42 31114.55 16242.01 11797.61 17348.06 16092.31 20405.94 14082.05 29342.42 29471.63 29342.39 29472 29342.19 29591 29640.77 29341.31 29219.97 N-Palmitoyl Taurine 31894.66 23899.79 6973.55 11170.47 33911.96 7843.94 9797.39 41547.49 35658.5 9835.03 16422.82 27511.03 45026.41 20926.3 27366.54 13630.03 15819.01 26480.24 53520.19 17227.64 22744.09 6347.85 16470.65 11663.63 15878.58 14409.15 11067.49 6439.06 17472.47 4339.36 11618.79 18678.96 13250.42 18830.51 10801.71 35985.31 27280.45 3170.34 13016.67 5513.38 8649.59 35481.4 18272.02 12974.26 74195.27 11119.77 25590.6 27361.3 39823.92 26069.07 50717.23 27715.69 56617.62 23167.83 35158.34 20014.56 16821.5 2231.41 13473.51 8621.45 46631.3 27074.08 44725.66 22048.91 17019.58 33134.07 28055.76 12183.55 13860.46 52375.08 39724.8 14740.07 24738.16 8580.15 19765 26656.65 26622.16 25982.72 26642.49 27369.78 26637.7 26303.04 25531.79 26333.23 Traumatic acid 26755.38 35101.33 91663.36 66637.03 29912.15 45113.32 93156.81 55840.71 33396.07 43298.11 46561.95 39434.41 89784.7 60558.53 37552.64 41688.6 40121.87 38357.65 70202.69 12847.63 7095.15 29875.27 36968.36 31232.43 18622.77 22847.37 19256.18 24902.39 32446.47 11486.03 14742.04 55199.84 33152.84 24272.61 33333.21 18161.54 17983.26 15490.24 44130.17 27278.91 21788.16 35913.65 61683.8 50183.1 37621 119473.16 44121.34 45555.62 37954.21 59537.4 29586.79 33876.01 50313.22 91720.67 30834.86 46737.02 53426.08 51125.12 35597.79 39814.72 48394.61 31335.62 38290.59 46171.58 47298.13 48393.69 10762.92 41434.35 45685.81 60519.42 34201.31 63521.01 40782.9 80729.29 71198.03 11308.33 9264.87 12661.67 11313.08 12222.36 11872.47 10670.55 10635.17 13130.32 13021.52 12420.87 13676.5 9529.56 10788.87 13143.92 12884.74 12163.44 14607.14 12200.4 8852.7 13962.45 11510.9 12558.65 14317.53 8808.36 51533.44 53821.98 52511.81 51896.18 52501.61 52257.09 52502.64 51948.73 52518.69 Indole-3-propionic acid 18811.02 40265.76 35331.75 40080.32 33776.46 42914.23 29313.57 37555.27 22607 44267.74 19874.8 41681.51 79456.53 31507.07 66687.07 37638.66 39391.2 34823.26 75140.64 10147.75 10947.62 18778.02 32517.9 26181.58 30421.37 15166.73 16437.44 16320.46 35212.15 1917.37 6947.17 20110.23 39477.96 26250.97 27174.56 36933.39 18233.36 6446.97 25630.92 18810.28 13248.91 20245.12 40711.62 37001.62 20949.19 31801.18 39559.68 72922.97 28431.73 43533.75 11325.37 36924.84 24752.77 34112.62 28867.03 56025.9 31592.64 50466.18 40540.08 16078.54 36597.03 44849.62 19504.92 36644.81 57172.27 34795.11 25541.8 67590.26 47563.07 33582.99 39810.85 30723.28 18526.67 45854.5 32869.43 36932.33 37464.49 37469.06 37201.09 37184.39 37462.36 37638.01 36222.97 37466.98 Mandelic acid 14285.71 10604.17 15961.38 16312.14 15685.56 31351.9 26104.2 17000.98 11837.77 12616.86 15067.05 14288.8 50724.73 15107.45 28394.16 18453.44 35076.2 19282.57 18866.79 17565.59 8870.38 7625.04 9490.82 16658.85 7115.07 9304.93 8742.85 7904.4 15695.39 10140.16 4138.99 14354.75 9505 10568.26 13940.39 7188.92 8529.55 5049.94 12792.93 12343.87 21397.64 21363.69 23376.61 26520.31 26370.71 43209.65 17635.15 18485.8 20174.7 12659.03 16452.31 14412.33 17233.24 29630.89 18068.84 20102.6 18431.2 14816.47 17212.91 37761.15 21025.67 22009.9 11281.48 19625.95 18768.41 32121.95 19115.86 22623.79 27738.96 9752.93 17015.7 15153.02 13742.91 36756.41 34454.97 21107.58 21283.67 21304.92 21302.63 21301.99 21321.92 21038.34 19916.68 21301.82 2,3-Dinor-TXB2 1792.82 1262.86 205.47 13355.52 21145.93 49644.88 39318.73 2790.37 1272.87 1119.65 2892.24 3267.28 12206.22 1538.66 1381.82 2604.32 1660.93 1215.42 1877.89 2364.27 532.9 384.77 206.22 110.16 122.77 313.27 279.74 655.9 681.25 552.85 130.3 2074.48 542.55 583.36 809.38 594.94 404.53 252.93 721.12 605.8 24660.8 5251.82 635.25 1075.83 2069.75 33078.11 1874.75 813.18 1627.23 3480.12 1472.96 1071.2 1265.2 1540.72 6926.48 1182 601.68 208.3 3929.5 3586.49 367.95 779.01 1243.79 1744.86 1222.68 352.37 1003.62 1097.53 1146.25 736.97 1524.24 1423.73 901.41 1827.49 2265.17 9792.91 10021.45 10056.03 12039.69 10458.91 9946.39 9632.44 8404.05 9550.03 Daidzein 14214 20363.42 23606.38 11781.21 7828.55 9762.9 12819.56 12289.7 12898.58 15842.96 12613.94 17955.6 12905.57 13275.13 11401.21 9983.46 10286.52 16247.22 11886.58 10866.91 18594.99 27534.8 24520.98 26173.94 23699.88 27134 27130.34 29582.59 15003.84 19650.07 21825.79 19900.68 20803 29370.65 42435.94 25364.61 27362.69 43138.53 27027.32 27052.88 17646.67 21127.27 23787.22 23459.75 15988.62 16909 12547.96 17312.55 23470.02 12156.15 20437.49 23041.22 21417.12 20970.57 17396.68 23602.59 27908.93 44114.89 16303.72 17739.59 26268.16 21052.73 18133.47 16234.86 15589.89 15928.23 19201.74 25613.5 20568.19 14289.76 18168.37 15514.67 15154.89 13579.5 16515.82 5467.92 4681.57 5655.87 5470.51 5518.93 5584.22 6021.06 5434.89 5334.4 5452.82 5349.55 5046.88 5314.67 5226.16 5116.64 4890.89 5069.17 5598.85 4752.83 5459.82 5650.56 5406.04 5749.53 5318.68 5329.21 37559.7 38589.58 38586.6 38290.16 38294.78 38607.28 38319.98 38296.45 39023.82 ortho-Hydroxyphenylacetic acid 14921.02 29202.73 10022.11 30292.27 23463.22 24495.41 38043.03 16992.15 29795.98 20408.9 30717.75 37134.51 47129.84 17716.71 23018.75 44780.25 11824.73 25118.98 65684.9 20049.96 8878.1 3263.08 13769.9 9975.77 10641.05 23081.81 8499.66 14323.31 10298.16 5354.33 3803.14 34843.83 22123.44 10870.16 16676.98 11822 3816.3 4362.06 30594.08 8172.25 21760.5 26019.06 31078.21 31430.58 18128.27 43592.1 22159.93 33082.05 9099.62 41653.78 13049.69 15452.16 17878.54 41409.36 8958.97 5956.78 7829.46 9278.86 19205.56 4568.37 16924.78 6581.01 13271.57 32761.72 80315.63 22875.54 18303.4 32199.8 22909.75 16298.4 13442.62 18343.84 24566.87 26242.7 38194.54 30145.76 35739.18 27045.91 28380.83 30355.05 28561.16 30282.93 27789.52 24071.01 Probenecid 48231.01 17452.05 2067.27 6114.46 29123.79 2572.56 2601.21 61075.68 64055.56 34379.94 18476.02 38142.96 16881.61 19034.74 38038.2 31031.44 17059.4 45369.64 35993.06 83179.76 40083.4 5051.09 3838.7 8598.22 41373.95 23244.47 11225.41 27740.05 49332.8 40279.95 48434.92 26363.25 20402.47 4857.74 6448.15 41880.03 38244.25 2661.6 15785.87 11914.25 63146.9 54428.69 10233.98 13874.64 53582.72 18425.7 80286.85 20389.26 40258.44 54729.58 26787.35 14725.49 7155.93 14175.75 35082.96 15761.75 1439.81 2730.64 40051.06 3403.88 9757.47 10266.74 16576.19 12863.47 28161.49 40240.73 36660.68 33525.01 39626.82 48267.55 59157.07 29782.21 42075.08 12783.51 20536.68 35660.42 36161.63 36161.34 35980.93 35904.34 36561.88 36164.32 35972.21 36160.97 FFA(15:1) 15509.99 23308.9 10099.38 21921.44 20471.43 28634.28 24792.62 23963.04 23630.92 16826.78 24144.21 20717.4 7495.72 15069.43 35334.62 31397.12 35168.69 38764.79 22362.01 34414.67 14888.49 9205.68 6328.79 8473.49 10176.95 13710.02 8447.84 6717.21 12594.12 22707.58 13319.49 15819.14 25253.08 7346.15 10768.96 8882.82 20942.63 6713.73 12060.46 14604.91 32975.03 15522.37 14940.04 22336.25 20650.48 15340.85 26642.06 24435.16 7127.78 20709.46 15953.14 18474.18 11837.87 14439.57 24694.9 24882.63 20917.86 22471.17 35885.44 31153.69 28115.02 18444.31 28926.74 31272.54 38235.93 21872.84 24721.41 16585.95 21125.19 27727.2 35517.22 28328.01 29949.84 32902.66 28905.16 25980.29 26532.47 26399.49 25998.33 26284.1 25994.81 25891.01 25980.99 26230.78 Oxoadipic acid 40221.36 42693.55 50465.68 76806.94 56681.56 127846.68 89625.75 21337.18 20304.13 39836.09 81006.75 53767.72 84792.63 76600.09 36212.77 70299.68 81042.52 48858.78 81684.32 44282.36 61617.9 162906.4 80462.27 81879.03 64441.74 49157.94 86961.42 72178.57 51685.78 155370.63 68756.1 149413.11 46027.22 95507.02 130021.16 40102.01 44453.06 87441.55 82464.53 95390.69 116694.91 78016.84 90203.61 94677.27 53439.43 95858.2 29359.53 68258.88 52520.49 89306.95 51076.25 32261.22 92188.34 108634.22 76818.84 56647.38 111229.96 145246.5 56818.03 128039.09 69155.71 77958.89 39935.16 81437.92 53171.15 53558.07 26899.79 39527.43 54267.15 43890.84 30253.21 125744.15 102494.53 134619.36 77970.53 204971.14 181757.43 179544.44 218323.52 189905.1 171092.18 197156.34 219076.18 184571.98 181010.32 182451.22 207587.99 190851.86 203248.91 165161.83 216665.91 175531.83 193617.78 224132.2 199641.56 178665.82 197730.65 205319.29 180968.88 229269.25 76572.96 76780.57 76333.79 74942.49 76549.77 76571.53 76266.58 76570.28 76268.36 2-Aminobenzoic acid 5619.04 4188.71 4153.86 7609.67 5586.41 8700.45 8159.59 6611.58 6745.75 6033.65 10808.3 9607.86 7206.11 7219.07 6993.98 11829.39 7224.61 6195 9836.01 6237.84 4540.6 2898.13 4938.82 4569.29 3702.52 3265.71 3233.87 4443.87 4554.15 2424.47 2438.06 6350.14 3098.69 4286.6 4833.48 2291.41 4540.15 1952.72 6769.98 3255.32 4118.17 6687.3 7239.39 6743.76 7103.7 8698.6 4361.34 5760.9 4314.68 10126.37 4841.07 5389.41 7262.43 7564.7 5646.36 6016.12 4822.42 5263.35 7638.43 3577.74 7311.05 6751.84 6320.01 9241.46 8578.08 7232.41 7109.86 7437.41 7061.01 8112.65 6523.47 8328.01 10081.48 10671.54 9492.99 17584.97 8009.56 14614.73 11203.36 11883.4 8633.78 16377.39 14579.58 12910.84 13393.62 30065.99 14283.63 13085.75 10473.13 18984.6 9564.6 7895.55 9059.72 21820.79 16384.85 11255.48 20784.45 11947.3 23565.7 15074.45 7863.05 8004.2 7992.78 7890.33 7887.84 7997.66 8008.87 7884.58 7475.43 N-Acetylglucosamine 1-Phosphate 8379.81 42068.72 30092.47 43280.21 7340.38 10703.2 46240.88 7017.44 12356.03 1177.82 1487.06 8801.43 2484.83 19631.5 25798.23 50244.54 16794.52 18197.1 1970.32 1078.57 41740.1 2544.25 6629.95 25930.94 1112.78 1275.77 7854.13 852.64 1242.8 12428.25 17563.95 1009.71 2126.36 3837.23 15683.09 1192.02 22646.34 4158.86 18356.95 12736.85 3277.97 3829.82 4026.87 10703.86 15971.53 13032.76 26803.74 1013.09 9649.67 2237.47 686.73 16761.85 10734.03 16254.36 4338.12 16444.72 35716.1 2590.6 30057.13 89659.27 43611.62 12927.97 24147.4 19307.85 17756.61 15441.35 4708.05 18942.78 41852.16 6271.32 11134.13 29123.86 16688.37 39073.92 43687.42 16890.45 27348.14 19487.73 1357.94 1573.33 45196.74 54622.41 34107.5 45886.62 56356.19 39508.3 70801.29 48172.94 25206.23 77489.94 12625.01 63734.89 32079.18 4585.12 39868.88 72828.02 56919.16 16920.11 35988.12 35261.22 13021.89 13108.47 12810 13794.73 13469 13054.43 13013.08 13002.2 13664.83 Clindamycin hydrochloride monohydrate 17008.25 28448.82 11647.99 35258.67 9090.73 19106.24 4517.76 21721.79 34230.35 17366.77 23861.3 82267.66 218600.33 112396.38 51006.66 46888.69 30572.69 132164.2 124304.6 106002.95 15061.33 13659.61 10564.32 8086.97 5036.13 12796.07 4545.97 6630.01 37177.19 81702.65 11695.73 142870.2 4920.92 12505.38 9746.11 19740.64 10479.24 2508.78 17468.97 7072.36 31529.21 28281.8 29210.32 49517.16 88604.23 96422.19 15016.56 21222.42 82782.42 173754.95 25651.67 31297.61 32241.21 45208.78 11448.42 27841.3 10295.88 16274.84 13374.19 21507.3 13713.73 9819.47 24893.38 27532.84 58700.92 19796.36 94519.75 39012.43 97486.38 15132.43 29003.64 32662.39 20052.21 46655.86 51746.36 79597.32 59297.11 45187.72 61099.75 68105.01 60696.52 70060.84 60837 67002.77 11-keto-TXB2 391.55 109.53 7016.79 24418.04 30318.24 22796.28 41658.63 1719.69 341 186.12 1427.52 513.31 13159.58 903.82 520.77 4858.79 228.7 160.55 239.3 532.62 334.12 17835.83 994.54 164.57 166.82 854.62 142.58 378.68 128.49 417.66 300.7 225.67 2203.87 423.5 141.36 697.14 95.31 288.95 876.47 681.85 15849.71 2926.97 166.15 105.19 569.99 30309.57 456.49 1097.24 765.49 1417.44 256.35 1117.6 984.16 1762.87 10418.26 134.02 1229.39 1739.6 199.77 2749.99 141.9 1114.94 145.37 4044.2 979.66 3279.54 1481.83 170.25 158.91 220.42 1543.66 1256.97 197.72 2402.55 1723.56 10870.78 10427.39 10787.11 10275.58 9541.66 10388.48 10969.93 9956.55 12932.29 11398.18 14525.12 9862.37 10410.06 12628.47 12718.91 15369.41 12034.21 9966.84 10387.22 11614.59 11596.91 13405.28 9910.58 12394.12 12085.11 5238.17 4801.16 4187.22 4662.26 4655.26 4406.22 4714.79 4838.52 4801.82 Gemfibrozil 4161.39 6779.91 7391.74 6092.91 2725 4038.84 2965.7 7727.61 4888.06 5186 10435.03 5655.15 3152.13 5659.38 3403.7 4189.97 4976.54 6201.14 3906.62 5195.48 6052.04 6516.02 7444.88 6128.23 7304.9 6591.43 7306.12 6689.18 7467.73 5891.26 6660.13 4623.15 6459.94 7015.12 8252.65 6955.83 6066.07 7794.41 5782.22 6527.73 4488.35 6598.05 6270.69 5257.76 3145.81 5945.51 3899.79 6391.99 7026.66 3619.91 6191.1 8078.21 6062.99 6812.85 4659.92 6924.7 6160.52 9328.23 7216.46 6581.12 6117.27 7043.04 7566.37 6807.27 7935.34 6276.18 4294.02 6357.04 8238.13 5011.81 4087.83 6917.74 5867.23 6063.38 6018.74 6582.88 7769.21 10238.25 8246.82 6845.17 10156.3 7691.36 9475.51 8812.88 7804.66 11397.81 8343.0 9936.3 9022.43 9080.43 15804.13 10071.89 11373.33 9416.38 11826.54 11076.95 8428.87 8700.75 11845.42 10361.03 7581.41 6249.11 6262.13 6304.63 6615.53 5712.52 6273.51 6590.75 6477.64 Ursodeoxycholic acid 498611.73 983201.18 6348160.35 3351657.4 1328560.68 135715.64 849031.61 2085423.85 1706998.76 1410250.62 1422073.49 1495217.17 1038655.55 878221.56 3581510.98 3087099.03 6817948.31 985944.37 10594822.31 1284081.77 2480459.37 687237.1 5670788.12 2439257.93 2306345.15 194687.1 297166.13 37383.82 11160556.32 1506554.16 102440.97 1328293.23 3669280.81 2391034.08 1826770.34 2666880.22 1477770.24 18065.62 1551086.29 430730.27 300964.18 609219.53 2949784.01 312792.76 822006.58 1142758.15 3405868.23 3349464.21 4014264.13 1892044.17 1017517.3 2975904.93 3107174.61 2443254.72 3290513.26 1453928.57 2941325.6 1678930.07 2735411.86 39648.55 2500733.86 1522756.86 3391322.32 7113826.43 3015453.52 1588049.75 202410.08 1333123.28 346231.19 2547839.05 631727.62 1809736.71 2113664.83 2520338.28 1995370.62 9673.1 9181.95 19974.49 31433.03 20057.88 8662.76 14796.29 5072.34 7200.13 21335.65 22161.07 4721.43 24609.69 3706.62 6974.02 10110.54 9921.92 39490.75 21214.55 8963.55 16623.72 13065.71 9178.55 10443.04 15563.15 2193003.82 2199579.74 2183927.67 2194643.09 2199481.86 2165207.32 2181377.92 2179405.55 2199473.08 Pterostilbene 109819.72 55035.25 18360.51 188783.87 28261.52 68203.66 72641.58 42693.74 40455.74 188132.93 32019.22 111020.93 43414.54 110351.72 124248.21 44030.01 120226.09 97575.69 100653.72 60746.89 18467.63 20530.63 11450.75 17549.99 12392.24 18742.29 8528.74 8463.93 24289.92 19815.75 33212.58 19271.87 34281.66 10410.9 21613.9 13271.41 14374.53 13371.42 45139.82 11129.25 52268.92 25596.35 21207.89 37064.21 49606.05 112540.23 44356.89 33105.86 19976.55 155280.09 53735.93 41223.65 58387.18 60685.19 30101.31 37272.52 45412.62 27540.2 61928.67 65645.87 33682.48 24008.38 28006.64 45548 39573.7 33028.22 150349.3 33620.82 33495.37 49877.92 42777.52 96013.94 35717.34 128269.79 38519.27 1040.61 3389.48 2196.05 1449.54 2468.85 2432.37 1679.47 2215.91 1845.0 2333.95 1892.02 2103.22 1688.68 1201.28 2298.02 1190.27 1213.69 1654.32 2298.55 657.91 1189.01 1718.97 1893.08 2214.66 49093.85 50058.35 50084.73 49271.77 50064.86 51623.45 49153.72 48681.9 49326.5 11β-13,14-dihydro-15-keto Prostaglandin F2α 4502.98 1671.87 332.06 48606.2 77273.8 34514.66 60764.91 5750.17 4419.43 1827.23 1843.84 5666.81 16162.19 1803.08 4680.98 6354.63 3254.7 1741.22 3985.89 575.14 3729.67 1014.45 2601.69 621.52 2593.97 1846.87 890.61 1810.94 1744.36 2788.14 188.28 5086.6 1915.51 1187.22 704.49 1757.82 1835.39 514.25 2005.83 806.43 29935.98 6692.12 779.54 1481.74 3544.76 52043.9 1057.45 2102.39 1025.85 2297.45 2968.77 1746.61 2833.35 4718.3 12958.67 2502.3 380.12 303.75 4199.81 2721.34 746.04 5627.63 4803.29 2218.66 1899.16 5769.34 2211.94 471.13 2420.69 4236.56 2509.17 5246.72 1212.71 2616.14 6881.52 10136.36 10556.68 10385.77 10384.08 10299.54 10044.25 10247.23 10053.44 10100.98 LPC(0:0/18:2) 15279.63 10337.09 72883.26 20131.39 4175.27 37700.18 11029.49 6829.99 12911.59 8525.37 16450.99 8785.8 13397.42 25406.41 22493.97 7879.14 1496.23 12158.59 14009.79 7501.12 10309.18 2324.54 6546.83 9808.14 6566.12 5096.42 4733.46 7462.86 8858.6 11388.25 7984.46 16107.15 4627.17 12586.8 13439.79 7330.4 9123.85 2557.97 11906.65 8627.76 29481.17 6393.41 13569.48 17059 11121.86 11933.22 10322.69 6046.27 9813.88 9554.32 21631.15 14331.1 14107.61 11514.93 19812.93 15328.37 41641.17 26588.01 10210.67 16110.05 21637.11 13075.72 15970.13 19702.67 27623.56 10108.24 16068.11 11174.37 11959.94 11322.82 7419.32 9008.53 15651.63 14876.95 14377.2 181157.73 249256.99 178666.47 205803.13 189572.5 190840.94 148530.86 543108.3 265734.48 98454.53 110027.86 141804.88 249996.61 433198.4 77289.64 281247.08 174182.06 261602.68 203265.19 138213.28 125474.01 133486.96 290182.28 204548.09 262534.31 13840.29 15332.75 14405.51 14806.98 14804.83 14422.71 14722.63 14801 12727.5 Ranolazine 13320.78 2886.91 3018.31 8659.95 1341.76 12413.8 10919.34 17599.08 18688.46 12361.25 13348.14 24401.07 6120.67 12144.99 27267.46 19289.83 6737.78 24754.86 34808.95 37458.76 14344.3 6411.5 9511.93 6936.14 13593.78 7672.17 4216.04 6022.04 18762.44 15671.47 15849.46 29420.88 13876.09 6189.2 7825.42 11879.3 14142.03 4814.18 7022.68 5015.96 15652.48 16578.72 9821.13 5941.91 24079.78 10722.15 24342.06 20683.58 13157.83 22525.54 19123.49 11771.46 9299.07 7263.05 14295.75 13397.95 936.04 6181.12 24946.15 3913.5 9041.61 10273.13 16799.68 17795.03 14154.95 19586.37 20941.49 7563.32 8346.37 21167.75 18932.85 19095.33 20502.43 19047.67 5357.97 15409.38 16123.82 15863.97 15318.9 15560.91 15856.03 15439.66 15379.31 15445.63 Enterodiol 6418.76 3888.05 1856.19 1171.12 3429.77 2062.58 1399.71 6069.25 3170.74 4780.8 4604.25 4609.17 1734.42 2606.57 11500.65 4532.63 11996.22 3843.65 3497.32 5557.47 4591.14 2126.89 1146.88 2982.58 8381.99 2380.53 1189.24 2479.26 5361.34 2275.29 4489.79 1226.68 3600.74 2305.54 1663.53 4589 4330.46 781.72 2519.68 3551.4 5978.35 3298.59 2001.87 2470.47 5176.14 2096.74 13250.96 4484.33 2304.21 3130.47 1954.54 3489.57 1568.09 2892.92 3793.08 9502.72 968.59 1210.3 2773.12 1805.64 2777.2 3335.97 2234.35 4200.11 4352.16 5066.54 6848.27 5430.4 6111.79 6482.64 3029.36 3891.31 2433.27 1420.33 749.71 1601.91 3442.07 3831.27 3435.24 3730.81 3598.61 3706.88 3426.8 3511.51 Glyceraldehyde 11055.42 34155.76 51501.02 26083.01 7087.07 6927.08 24885.57 1870.04 7087.45 3066.48 7102.81 10411.16 3020.09 16418.2 24536.96 40788.74 56113.65 4320.1 349.75 298.78 28588.27 1981.53 15235.08 25923.32 3569.71 4003.07 11668.55 2153.91 367.68 241.9 10218.2 11353.38 537.51 3769.84 4614.38 2448.29 21718.28 3372.23 20343.61 3426.66 5549.58 5329.96 33278.3 47438.04 13317.33 4412.56 4553.57 2840.39 1907.43 5360.51 8103.27 33177.09 3436.56 2881.19 37790.29 46494.09 125904.63 42642.77 7920.28 39662.79 49015.51 19082.17 53910.63 5536.82 4166.29 22721.76 22618.73 21633.74 32346.58 23230.31 7047.69 33738.68 5875.16 10672.46 44890.76 8878.24 748.48 10118.1 1876.23 6031.87 2555.49 1726.2 2249.0 11957.88 1876.6 11667.27 6558.25 3710.63 4265.89 5437.87 7927.54 6120.97 11373.23 26801.67 32197.94 28145.8 36850.66 41223.72 27578.96 27321.66 27884.92 27692.76 27634.35 28515.5 27367.05 27925.84 26993.86 5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid 669.14 616.6 3425.79 1685.65 4197.28 3277.18 955.41 1174.55 2296.93 6612.84 1502.97 20089.7 4556.75 21781.16 5778.46 17911.47 4865.96 3278.78 2894.73 2378.5 1171.1 17498.1 6852.39 9404.1 3064.89 1206.78 22727.37 911.08 4338.79 2606.35 1788.72 4750.21 5751.01 2279.6 7221.33 942.96 1518.5 2572.67 3230.35 1121.89 3648.81 2516.23 5945.53 3598.12 6994.04 4033.22 602.46 8264.21 3072.34 2683.04 1607.18 9807.43 15773.85 3159.95 3176.21 2590.69 2568.18 2570.93 1606.7 7715.73 6133.88 47146.03 1838.62 9500.19 5393.26 10725.11 517.39 2687.64 19845.84 1553.54 2401.9 29118.46 1183.09 1614.93 4395.95 4484.48 2875.55 3843.02 3292.11 3606.82 2509.08 4081.41 3085.46 4124.15 4679.31 3190.03 1420.49 3677.03 3507.8 2725.51 3842.13 3226.09 3930.77 3421.82 4384.17 4135.52 3073.57 3689.52 2455.78 4708.46 3768.35 2256.6 4826.95 3435.44 3848.79 3834.16 3576.15 3863.43 3799.85 Mycophenolic acid 88401.6 84764.24 27706.72 92022.8 91166.98 83877.32 9437 32556.71 55012.86 62390.82 50203.76 120441.32 192621.03 151512.73 130784.83 103017.65 83221.42 118018.85 136360.08 146095.74 14998.31 48464.69 26980.09 28384.96 20905.08 32148.22 3244.55 27977.56 64329.89 36609.04 78511.83 128002.66 6362.01 22052.64 20993.1 7842.45 19612.27 4483.63 38039.22 33324.57 197184.56 208996.83 15993.5 75026.92 138987.32 176910.51 80840.18 44880.8 80590.59 210256.36 138772.58 115238.28 39304.94 80019.06 108571.68 160299.16 25319.5 56042.9 11231.76 74315.22 54790.82 26494.81 72620.67 9000.85 55627.62 196797.81 371397.7 79456.79 53668.89 36929.57 42914.78 58766.9 65510.37 86510.54 67773.9 3033.36 2271.53 1348.77 1011.99 4385.87 2180.42 2017.41 1066.85 1451.68 2421.27 1710.44 3040.9 2915.84 1730.73 769.91 1716.62 717.95 605.85 3084.22 1015.68 1767.69 840.03 1810.32 1976.63 2920.86 85117.52 85107.33 85127.01 86758.21 86687.7 86702.52 85902.4 89219.51 82093.64 9S-HOTrE 14510.19 2927.18 53429.31 18499.52 17904.04 56461.18 33581.45 1596.64 2570.06 4920.87 13907.94 10819.64 50319.42 14459.45 3586 32473.14 14104.45 2944.76 9593.18 2700.18 4858.73 6911.28 11844.25 5445.04 2854.46 2823.26 9214.63 6793.88 17761.48 4756.66 3811.97 12009.56 1485.87 16565.87 8781.65 2569.65 3646.68 4039.65 9622.03 5885.67 3775.94 4894.04 10396.21 13440.76 6523.61 27977.66 781.36 7152.18 12200.98 23252.64 18562.94 5722.73 11159.73 34480.98 3417.79 2748.26 12524.02 8045.86 2212.36 10414.69 9100.24 13525.64 5832.02 43103.79 2483.3 13266 5115.68 8991.18 5325.29 861.38 1598.52 4334.23 7944.91 18914.54 18162.87 13316.88 12783.15 12475.28 12296.33 12485.77 12795.57 12565.53 12798.63 12785.5 Dienogest 14018.66 36493.44 13993.3 41870 11089.05 12016.72 140942.62 37453.07 13989.16 55906.71 15001.05 17085.57 24489.23 10435.01 19523.4 37650.12 22485.53 18631.9 47692.64 820.03 6857.95 3856.91 6523.48 5577.56 5555.37 5293.78 1814.9 4080.13 14779.69 14523.98 9604.86 20285.5 6425.23 12130.18 6341.88 4205.32 8234.26 1621.02 5625.58 2537.48 40829.13 17128.43 11626.54 20913.9 88671.07 17509.97 4548.69 18832.37 6539.16 14442.28 11941.86 23811.44 8184.69 8113.71 17741.98 23436.96 11456.42 21951.6 16195.59 11574.8 17882.42 15396.36 56515.97 7430.29 22204.35 30927.33 16302.56 10245.18 14129.01 11785.29 16190.73 49418.34 9728.46 25318.41 14594.92 5617.72 6011.88 5002.41 4279.72 3269.46 6056.71 6331.02 5010.89 3607.47 5855.95 5569.76 5899.18 4886.8 4914.29 4858.09 6262.82 7967.34 5487.45 4914.67 5124.82 6145.19 5851.06 5769.68 7299.48 5079.98 15542.27 16691.51 14277.9 18001.73 15833.76 15188.82 14860.57 15839.63 14874.83 Axitinib 58174.2 31094.14 13065.75 35429.17 135861.87 87900.6 88375.37 113615.94 77636.37 63087.97 78014.45 145623.81 116389.57 61690 86932.79 171993.84 70687.97 80697.93 85970.65 117408.4 55819.27 37007.31 32193.38 30930.06 38883.8 36751.92 20197.29 27024.29 83201.09 76343.65 38964.35 155615.06 59531.18 36489.02 30562.51 58024.13 45417.3 19707.69 47353.07 19940.09 105040.87 117432.83 43822.74 49406.37 86976.96 63096.38 54284.15 54858.34 87150.57 145511.79 74284.8 40363.75 51047.22 57130.65 70380.24 62113.89 28694.52 24432.42 74172.58 51682.58 63834.81 59784.45 43314.19 50231.18 73272.49 71098.34 92003.2 85414.66 87887.71 68749.15 63589.37 77746.34 64676.61 63746.83 93329.28 7014.88 7911.44 6236.46 3526.33 4830.34 4438.46 7051.13 1357.59 10070.73 4899.18 3840.32 2400.18 2636.29 723.31 1818.71 3400.3 3416.39 11107.75 2610.02 21784.26 22428.14 11292.57 21915.38 19344.26 13228.45 86353.15 87217.27 86654.64 87487.31 87143.44 86321.48 87208.61 84305.63 85966.87 Lactulose 5172.71 3879.48 11069.09 3958.74 20007.88 18266 8349.86 5856.17 19381.34 14190.66 13160.66 6713.47 13976.67 2722.21 16030.98 7309.34 40142.66 8438.88 6082.68 5758.45 6383.79 2333.93 2230.13 4164.36 7039.29 5946.79 6685.69 1966.54 8428.78 1391.81 3395.9 6529.36 2450.55 3160.93 6888.27 7205.81 5600.39 13364.31 4005.99 9124.19 2116.58 5529.58 14464.18 2659.99 17830.8 8305.7 16063.21 6533.79 9638.81 7138.69 9549.08 11821.01 33441.98 12335.82 14685.58 4664.48 7112.77 26149.92 4734.41 9839.52 4455.6 8415.03 6655.47 23001.34 9273.21 16994.93 7130.55 7597.46 3825.31 16622.95 4530.56 10340.71 16318.94 34350.88 8367.48 471724.13 394553.69 265739.24 442474.57 32894.16 396319.27 341177.79 317482.46 386421.78 233985.23 296047.73 334513.24 108526.04 359674.75 211787.48 327974.58 193956.35 358428.45 122387.45 230340.2 276959.51 259498.36 407086.14 269805.95 323910.57 8875.55 11555.32 11885.27 11460.38 12395.77 12142.97 11455.38 11447.7 11881.2 Floionolic acid 24448.4 13570.88 17178.37 79435.5 156481.34 196031.04 234370.7 20503.2 17297.33 18668.41 20464.95 15435.79 67646.13 19509.23 31167.89 28280.94 17364.21 19501.74 15865.72 11349.23 16137.94 35726.41 33570.04 12109.16 11745.8 8495.16 10390.89 16694.86 30649.49 3558.49 4293.18 6599.23 11396.72 29258.03 14448.78 10705.78 18295.86 11936.02 43879.54 11470.46 62557.14 17698.5 15159.1 35346.52 15643.6 81197.28 14492.15 23284.01 8752.28 8927.05 33639.37 23995.61 17089.72 41532.84 41655.79 13449.35 9341.8 10402.33 19979.57 38300.74 38024.37 33708.26 31062.31 28054.28 17250.77 37424.51 20632.44 34142.14 25207.24 16718.23 20815.99 19309.62 28480.24 31044.44 52250.67 51643.12 52261.75 51937.27 51989.72 52027.51 51509.38 51840.87 51509.15 51669.15 2,5-Dihydroxybenzaldehyde 795.18 246.42 800.54 1633.69 5367.72 4571.77 19047.65 1227.42 930.75 270.31 626.64 14904.06 4040.49 883.56 365.05 17011.2 1200.49 731.91 2791.78 570.5 2251.72 1775.75 392.06 434.74 678.14 199.61 1454.97 698.7 169.3 190.1 818.55 217.4 1178.07 788.37 751.56 201.31 220.02 615.85 2231.03 170.02 861.2 1854.77 173.49 529.46 387.94 26615.43 2394.48 2074.01 1031.32 1050.91 683.8 2864.75 4836.98 1562.57 531.32 168.2 1023.83 208.67 3619.71 3633.17 196.71 12625.5 663.41 892.74 2297.53 987.74 1137.37 1089.75 577.79 522.01 323.83 264.48 171.8 1079.97 6373.77 3031.23 3032.21 3058.89 3070.23 3061.28 3071.69 3070.13 2957.2 3067.69 Phenylacetylglutamine 5324.62 4625.96 4369.53 5255.01 4872.66 4177.42 4939.36 6454.66 6478.95 7794.42 7783.69 2893.78 5903.23 3836.64 5894.55 5906.88 6701.02 8111.86 5271.64 4122.44 4485.87 2905.12 4593.31 3682.43 2962.06 3823.87 6624.47 6138.3 5661.79 9234.35 3140.67 3409.79 5131.3 3522.21 4607.77 3150.86 4651.26 1641.86 7192 4704.02 6043.66 4639.56 12676.68 4240.44 4991 5618.56 5788.75 5487.15 6952.71 7263.69 6906.88 4279.05 6197.61 6940.5 7761.68 3907.25 5239.62 7352.98 14033.33 8856.83 6632.6 7344.82 8305.6 3803.31 9016.82 6183.39 4921.7 9092.77 4883.39 5883.07 5969.27 6853.12 8499.5 7406.44 5646.84 6480.63 6424.95 6486.45 6653.39 6933.93 6670.74 6478.49 6653.22 5761.23 Traumatin 55406.16 124111.46 171107.43 192088.84 171362.51 239250.94 195539.76 58771.33 26516.11 141681.2 102389.81 111539.96 444683.97 170326.67 136944.15 110032 168204.21 68361.86 102716.34 13282.44 19418.3 118722.69 170924.52 108252.25 64351.55 41297.28 84309.44 64745.9 77001.29 4085.53 9362.8 63699.1 60944.2 141869.56 104237.81 69000.06 63499.14 25295.47 164486.48 79749.34 16420.87 56395.29 149825.01 202046.26 45319.6 125265.5 43063.11 129938.85 47673.32 72543.87 81658.27 186481.54 174976.49 199184.19 135915.81 254746.33 222540.33 275176.99 63440.93 149406.63 211578.17 278906.06 132118.43 167372.04 102967.19 228793.71 47704.74 167554.8 132014.49 79204 37090.93 110255 69856.92 206142.19 176806.56 128837.33 129553.89 128841.88 131602.56 129626.91 129628.81 129121.19 127420.84 129644.58 Moxidectin 1577.58 196.01 593.21 467.83 2845.24 838.52 824.65 6273.52 2898.7 3521.75 358.6 2814.59 1653.73 712.75 3200.88 1464.45 647.36 7610.97 6291.8 1772.92 2564.81 805.76 543.02 839.37 1729.66 694.94 600 739.18 2476.03 1844.44 754.24 5347.55 1534.06 615.19 543.97 1858.43 3233.19 180.4 641.82 377.97 356.02 3456.51 498.4 381.59 5567.61 335.24 1118.01 664.43 4396.88 3032.08 2942.16 283.58 1332.17 856.95 5290.95 309.48 283.19 532.61 4669.09 322.76 540.94 781.64 3373.6 1098.01 1003.97 1316.78 2629.14 1756.69 917.93 2727.42 269 1672.11 2517 578.98 298.65 2201.52 1628.14 2250.57 2875.87 2497.44 1605.7 2309.32 4071.49 4022.64 2388.07 1986.85 1848.97 3263.92 3054.81 3129.3 1325.47 2202.96 3007.4 3220.0 2966.36 3224.31 3482.53 3327.07 3372.26 3999.71 3953.09 4057.93 5226.35 3360.55 3559.25 1926.19 2735.32 3106.31 3975.66 4-Hydroxyphthalic acid 3365.75 1630.49 2780.06 5865.51 5007.06 6877.7 5440.2 7240.48 6336.13 4146.08 9315.37 4567.26 4975 3392.73 5051.84 11302.86 5217.45 5011.82 6061.5 13988.93 1751.24 1234.22 912.98 2066.07 1617.79 2272.86 613.34 867.51 3907.88 2264.83 2722.98 5103.03 2610.62 1735.98 1614.71 1778.94 2131.13 679.85 2890.61 739.4 3009.71 4943.48 4629.96 2021.06 5893.98 7684.15 7789.42 2645.55 1821.33 11986.18 2737.9 4314.41 2500.08 5635.59 3521.1 3330.65 2284.78 1809.42 5583.43 1606.87 3331.95 5615.07 3354.48 6025.29 6880.03 4571.43 4085.61 5426.13 6642.91 5309.76 4303.22 6124.34 4991.28 5088.6 5981.39 6482.18 6246.91 6559.51 6299.23 6271.51 6552.3 6173.09 6773.68 6578.76 Glycocholic acid 18627.72 8128.47 29999.05 24088.77 93526.45 11207.75 63433.35 21919.92 22309.34 17746.63 30188.61 6957.22 60262.51 22243.4 21935.03 26894.1 153732.39 8310.99 23036.04 17849.55 13150.15 7758.52 26786.27 14167.04 12318.75 10354.85 13105.83 10365.12 14608.47 2370.98 7197.66 15047.28 13299.97 24467.31 18470.5 14361.99 9886 5840.04 25181.42 12583.15 14389.09 37164.27 13400.52 16914.6 24274.46 59370.95 19047.12 2977.32 35651.99 48492.28 41587.82 15353.92 16768.77 83559.11 77833.01 9544.96 26540.67 10236.16 19277.49 4293.54 26764.06 5163.96 33264.73 28621.5 28255.22 36933.05 9415.19 15945.1 16607.77 16123.79 11741.66 24366.32 23353.65 42049.83 57412.91 6108.64 9390.55 6241.28 6600.25 5964.99 5680.11 4725.13 5290.34 4120.83 5521.2 9514.24 3595.36 3848.12 5486.95 5126.22 3063.45 5267.47 5726.91 5783.56 6306.5 4127.77 6212.09 4482.86 4076.84 5323.63 32739.63 32765.83 33960.81 32793.75 32553.86 32801.71 32015.37 31554.37 32672.07 Indoleacetic acid 10364.09 2546.68 3150.22 4364.94 19833.57 6396.51 23103.06 15215.67 8384.56 6983.57 10328.78 8298.65 17580.29 5814.71 17028.97 15721.45 17737.4 8450.68 13143.99 28223.99 5662.41 9690.37 4501.04 6076.18 10872.95 5568.85 4965.42 5896.18 10656.62 7249.29 7695.19 12629.92 5874.97 3740.69 3971.43 5788.95 5345.09 468.61 7834.18 2070.88 6133.67 19415.13 7597.72 7429.44 7826.64 10961.52 22420.36 9799.18 8909.72 20522.24 13671.44 4823.56 5256.09 7515.75 13970.92 8196.78 3658.07 3769.9 11923.23 3696.46 15457.7 5171.26 10620.93 6971.9 13749.45 15025.84 2409.89 11230.49 13074.92 17152.98 12606.42 18608.98 13919.18 12426.65 13326.57 13205.03 13474.93 13475.31 13213.87 13180.96 13211.67 13476.64 13544.95 13475.12 thromboxane B2 23396.79 12704.39 6438.91 23352.54 23843.24 21115.21 6159.08 34941.7 38054.46 14654.38 19202.17 24875.53 18249.6 8339.28 37962.61 24819.7 19231.69 12513.35 30951.54 21256.73 9137.55 8207.55 8971.99 10552.22 14753.65 11487.98 4401.76 5482.37 28722.37 8764.43 11479 15118.89 6883.99 7780.13 3945.76 5948.69 8031 8263.55 4893.61 5679.69 16961.18 19978.51 7712.04 9410.8 11799.7 13670.7 29979.31 3733.68 5984.45 27271.27 6040.46 15869.7 5222.21 15551.19 18565.46 27991.03 4072.21 8240.83 20873.53 17839.96 10146.96 8527.24 16808.78 15567.68 16540.88 22088.98 23368.54 13139.3 10373.25 23056.52 27582.37 33703.71 13137 19974.98 23307.43 18765.38 17728.51 16527.61 17872.36 17921.43 18736.26 18995.92 18932.62 18741.9 Ginkgolic acid 15072.39 5618.12 2059.5 1012.5 28787.34 1525.95 23448.94 31466.8 10360.77 3774.91 14738.5 11345.14 10259.66 10760.03 19732.43 11984.3 4698.89 16641.86 27741.55 30651.88 11499.3 2109.13 13089.17 3600.99 15271.77 4258.46 6476.15 3895.91 12898.89 5016.93 3405.73 5381.08 7513.19 5041.71 2728.76 21271.63 19521.48 1500.77 4504.23 607.25 6624.76 10652.34 7600.85 708.63 20553.76 6511.83 21376.8 9045.64 6395.68 23404.8 35508.85 6709.89 20388.53 8867.93 18619.89 5756.95 14936.32 2514.33 17799.06 1747.53 16674.11 45940.19 23662.24 9402.79 8286.64 6885.25 6068.73 5155.36 7669.93 45326.42 23081.12 5620.03 26369.31 1837.72 5979.44 16763.98 22867.97 18792.42 18728.91 18866.04 17594.28 14404.87 17108.87 16713.45 Clarithromycin 14138.84 14119.37 1277.89 1060.18 11628.81 718.45 2199.43 15623.29 7905.49 2356.22 9886.84 9276.11 13933.73 10820.19 8580.18 871.39 2606.68 12954.15 35912.05 1448.04 3433.99 1800.07 2514.33 2612.79 7491.44 6939.77 9323.93 2475.46 8052.73 817.09 2411.81 3792.83 1773.9 7887.82 3231.29 25001.45 15926.99 705.24 6965.59 1358.7 961.34 4300.88 9962.14 2007.14 16348.41 1621.94 4232.1 13391.85 16667.62 6155.23 25726.5 14761.71 42006.91 10204.6 14244.18 9135.47 4799.03 1092.41 13543.84 4297.78 30225.68 21268.88 17064.88 12655.91 7121.89 22593.45 2882.59 4323.48 7311.22 28957.89 9380.93 7134.1 5409.64 3095.11 6360.55 5209.59 3205.14 3146.4 4239.89 2458.84 3107.04 3756.06 2384.16 3426.56 2271.41 1681.27 1975.75 2237.68 2859.92 2048.99 3773.81 4080.62 3682.99 4122.93 2392.75 3372.39 3762.67 3695.52 2405.47 2915.39 5142.7 4624.44 3942.93 4856.33 4943.23 5272.3 4894.86 4888.64 5200.49 cis-3-Hexenyl acetate 7130.48 3697.16 1354.73 4806.42 8642.72 8965.16 8695.7 7684.88 5641.08 6108.14 7310.33 6710.36 7043.5 6303.1 4522.82 6147.56 2740.46 4802.55 6275.53 2540.66 4850.06 1683.45 3755.15 3559.11 3604.03 2923.26 2152.06 3406.19 4289.06 1443.65 3577.92 5912.44 2112.33 2895.3 3050.61 4332.39 4330.12 1021.28 3954.48 2504.08 5819.35 3248.04 5360.94 4988.75 10276.83 7109.38 6982.21 3665.68 3826.69 5727.77 4814.75 4662.92 4745.67 5343.03 5732.98 4467.01 1410.33 2595.29 6512.93 3219.29 4309.86 6678.26 5109.62 3939.59 2599.46 7774.82 4029.92 5075.18 5261.06 6773.6 4576.13 5077.25 5300.39 7356.97 4951.96 6594.45 6594.34 6562.26 6595.02 6544.52 6514.12 6595.9 6511.71 6151.85 Formononetin 3834.55 3934.4 2777.08 2770.61 2422.59 3267.32 1113.24 5003.18 20330.19 4617.72 7930.89 21703.62 14473.62 17968.38 12927.36 16083.94 4566.74 28630.64 66106.52 19464.04 2841.46 3800.98 2167.52 999.76 3254.75 8006.5 1021.62 2159.74 4797.23 4288.93 12400.73 26241.03 5351.67 1164.73 2470.7 2918.17 3842.36 488.51 3633.24 1829.35 14975.38 4089.76 3472.95 9949.46 12355.23 6323.95 8675.41 16377.48 6251.1 27318.25 1919.47 10614.91 7517.24 2317.02 3665.93 9339.44 2038.16 6592.31 5576.25 6559.31 5048.54 2889.2 7756.62 9548.01 6291.17 4145.7 14952.82 6236.06 12242.99 4897.09 9333.86 8041.86 6499 7670.96 6480.69 11420.83 12899.91 11126.07 11257.88 11002.3 11009.38 11393.23 11024.74 11042.74 Phenylalanyltyrosine 8535.68 9391.07 23625.97 13244.44 11250.21 7180.96 37519.76 19878.7 15603.61 24836.48 34318.6 11283.3 25272.37 33760.05 22983.75 4542.42 27139.98 7179.09 21745.25 10135.82 24477.38 13537.29 38552.37 25154.59 17559.2 160169.69 28406.47 39958.66 18476.15 21319.16 10073.38 35001.96 14957.58 23501.06 34000.22 12341.58 14144.12 8221.56 33095.42 21380.31 11910.55 11225.88 42229.73 50480.64 7633.72 9276.98 15852.57 40571.84 27934.67 15997.03 11558.18 18460.84 42864.3 44169.79 10582.72 15396.49 23955.78 27272.82 25592.35 13563.94 34469.37 24769.91 11832.27 22864.13 40030.11 19345.58 13947.02 46881.73 40440.61 21022.94 26480.31 32323.81 40889.93 20919.93 32200.91 11934.35 23550.94 12018.38 12026.68 12077.46 12110.18 12917.94 11673.91 12473.22 11981.72 12399.15 13175.49 11972.81 11698.9 11914.82 10239.22 12060.13 13042.39 15022.63 12048.29 12418.47 12728.98 13515.81 12352.1 12638.72 14344.63 14410.22 15272.14 14544.35 14677.07 14561.28 13497.28 12645.96 11552.7 Adapalene 78657.45 32879.96 24081.59 38043.73 119059.8 141561.12 70135.44 118375.62 131312.54 43084.96 13917.61 68151.5 137735.77 16525.53 78916.86 28376.2 26009.09 360332.38 25581.47 82025.75 34731.83 44045.46 41947.51 9830.8 23589.34 52716.76 5171.03 3590.03 17116.58 11955.43 171635.41 108774.31 43098.07 32901.02 16567.84 23147.45 17389.8 36208.71 27932.28 6840.17 121795.4 50216.14 10710.2 17087.54 139222.91 21114.9 166509.4 45931.97 12291.41 31495.49 54919.25 82658.07 20799.54 82303.01 51157.33 83843.99 21423.07 14852.97 61219.03 54284.53 31143.71 5439.62 51430.5 26216.16 18026.12 33883.75 27229.71 13628.27 16372.73 33779.64 23084.4 27388.94 6151.41 16335.44 30941.33 78833.81 82066.92 87548.62 79069.77 87453.02 79322.81 89181.08 80231.14 87105.67 p-Cresol sulfate 3751.68 1584.68 1522.69 216047.92 91727.26 17727.78 121883.56 5758.3 2083.17 4768.15 2818.98 24037.11 150005.75 2408.7 6872.77 74052 69559.97 16168.01 14157.38 2140.71 2908.12 1658.78 251.26 1886.48 4192.24 306.15 18226.89 6167.38 41061.26 1413.17 162.32 8461.61 4156.85 23769.32 47524.45 1352.38 1282.6 1013.22 25420.24 9626.2 11109.43 9132.59 2757.21 2028.54 1726.02 229587.23 353.75 1051.99 91798.69 28652.13 13510.84 3491.97 28102.89 32288.98 23421.02 528.32 1050.28 1436.96 22277.57 7635.54 2237.55 49056.87 12156.46 5832.17 1002.48 38090.71 1726.84 116749.92 6009.45 1488.62 2116.35 14226.43 1362.9 88995.24 52764.59 32445.69 39830.17 44128.29 36900.0 52545.83 27726.66 24089.15 22805.17 32353.31 32378.55 32653.85 27754.04 40165.43 24252.78 19624.62 25468.33 37859.82 49468.53 30129.45 26422.82 59829.86 32376.89 31343.18 25924.24 20737.24 30390.48 30991.16 30363.17 30991.8 30356.64 31038.46 30989.69 28347.16 30393.69 trans-Sulindac 256234.53 84316.54 761.82 8785.06 20377.57 12923.78 10318.5 61754.19 302829.55 106916.17 14827.23 2052.45 15293.4 23406.86 229518.78 128224.94 46468.52 111908.34 131798.5 371941.46 125797.41 450.55 13732.88 13010.35 15953.78 90587.67 20687.56 28957.17 151475.44 45440.8 28002.6 62202.93 132556.16 11533.34 6839.45 17512.98 44567.04 1425.43 16762.27 12563.74 24057.41 163187.77 12455.52 20017.93 34320.65 16567.29 248036.84 110968.72 50682.29 125200.96 81853.47 31127.12 8764.22 23647.14 128702.71 60115.43 356.55 1307.6 164822.97 6921.43 5607.04 7208.74 68185.08 39842.21 147218.14 80676.83 89149.34 102166 94022.79 190930.66 356017.9 97254.53 129037.6 36184.45 37283.66 38742.67 37771.96 41031.17 39711.94 40225.0 38404.7 38796.68 40047.78 39660.55 41910.69 59161.92 37931.11 38305.94 38241.9 41689.94 75155.69 38701.38 38699.38 38573.81 41762.17 41021.16 39757.54 39596.01 40462.32 38306.94 84815.41 87705.78 88244.6 87257.28 88768.95 86629.9 87703.93 87141.71 87142.29 Letrozole 8852.97 3662.65 3022.12 7242.01 49275.83 5302.26 11593.33 9589.55 4021.67 2196.48 3103.72 3199.45 8296.67 3685.94 3801.09 2594.75 8374.54 3108.29 3948.47 353.88 4129.06 1292.81 1139.85 2710.88 2222.58 414.76 517.69 568.06 7734.01 376.51 1684.33 629.42 335.33 512.66 2173.42 1951.42 5657.15 1483.81 1372.25 2294.91 3550.17 12810.57 2132.3 5250.14 2827.17 4362.62 3255.96 399.16 1749.05 3948.48 8764.09 1887.76 2361.53 4769.02 11650.95 4118.42 3228.11 2059.07 8005.66 1538.56 4936.42 5344.85 4829.97 3556.97 2275.15 16113.19 2103.64 4469.25 4935.51 5703.38 1426.94 2211.74 1785.26 4817.64 4605.63 6510.65 6498.07 6447.07 6428.75 6509.01 6548.19 6512.83 6348.97 6426.46 2-Methoxyestradiol 5300.81 1415.85 338.8 26418.49 6388.79 15269.64 11454.89 902.44 268.35 1481.55 931.83 1558.65 17569.65 1019.3 1158.35 3214.99 2466.9 763.76 3889.21 578.49 700.89 595.43 168.56 553.95 1226.04 1531.43 3818.06 1451.79 525.53 1669.76 621.83 1857.22 314.13 3005.85 684.36 270.9 825.58 2110.42 811.97 2078.98 20581.91 5491.5 2025.53 429.32 465.36 27910.72 269.79 1665.88 188.48 2438.38 5442.13 962.84 874.86 4868.38 5095.07 118.95 225.8 149.08 804.98 8854.6 197.81 4448.62 1489.35 605.49 227.93 3848.34 975.2 274.45 1406.3 613.75 235.62 2498.92 453.53 1721.65 6306.91 7095.5 7057.44 7025.12 6966.62 6594.85 7167.34 6967.87 7000.25 7052.88 Astemizole 5760.5 5836.93 4354.13 4778.15 4210.28 18535.55 8868.32 10152.6 15429.6 9040.02 9672.96 15260.33 9935.06 10287.51 16220.93 15491.86 8049.91 8992.51 15209.33 23202.22 15486.86 6235.63 2019.58 3480.39 6288.22 8081.25 3323.22 4983.21 11734.79 4789.23 6713.9 13238.41 6590.95 4249.89 5178.11 10649.38 6279.91 2079.27 6457.37 3918.95 13882.64 13700.2 8482.42 5465.82 17888.55 8588.53 19096.02 7743.96 9101.08 17115 9056.71 10615.25 10369.96 5849.51 10136.46 7568.79 9199.42 5185.07 9715.28 5428.23 5857.73 5497.87 5872.38 9316.77 7341.28 13317.12 15929.2 9248.97 10852.64 14983.86 10075.02 10866 9595.62 8576.79 6539.94 13411.44 11769.4 12897.64 12906.49 12972.17 13426.25 13555.58 12929.26 13401.4 Ethionamide 10947.94 18471.52 433.76 2838.52 16956.18 12824.25 11174.02 15634.66 25345.2 16792.81 14129.91 13133.95 7021.42 10611.89 25616.07 13928.8 12739.4 22776.74 13558.02 10596.03 12783.35 3930.08 4541.56 7638.71 17350.69 2083.4 5207.05 5703.86 13524.88 4775.78 7180.01 10486.45 13242.32 3185.21 5241.23 9802.62 14396.25 4584.99 7378.75 5181.87 7749.29 18643.5 10638.2 10422.26 17876.25 8557.99 16730.46 10978.05 4663.57 3476.5 9462.93 14424.11 5908.16 7475.18 17874.38 26078.86 1875.86 2847.8 21738.06 5028.55 9738.45 8976.83 18998.86 13662.97 12368.97 24099.75 26448.81 10790.09 13639.4 22842.42 16397.95 20296.56 9639.24 10804.34 5523.92 856.49 1084.57 957.92 792.3 565.17 1189.86 553.69 1158.23 1190.25 953.11 924.55 894.66 761.61 912.02 1386.57 1479.06 991.55 1255.52 1056.27 1387.37 1445.96 636.83 524.07 877.18 1414.24 15453.99 15492.52 15408.27 15798.36 15527.7 15541.69 15470.11 15483.41 15226.46 Camptothecin 93759.32 53888.32 33282.13 3887.02 29144.23 15314.59 4046.2 29016.49 17934.47 78695.87 74445.86 82409.01 44223.82 70404.89 35196.02 73824.65 10960.43 57000.49 40979.4 6509.76 91865.4 61190.12 75521.95 54251.94 79403.24 65499.45 64371.37 44475.85 95835.7 70507.85 69463.68 136313.68 58659.94 57953.56 57403.85 100613.04 83774.49 33107.43 51218.24 32334.41 16234.63 42544.67 69157.68 79583.88 31548.05 13697.79 21831.05 73242.08 130171.1 61319.04 127690.15 95228.5 65290.63 42121.61 121719.53 49348.18 21978.07 34647.59 19947.62 56533.4 66076.29 61361.32 73458.23 63678.74 61600.45 50122.12 17122.57 81048.83 46567.29 33860.05 22949.74 86906.05 36426.88 47046.88 51856.66 50121.09 42061.92 35574.99 39600.74 36319.17 41510.35 43352.97 38450.1 41778.57 Rosmarinic acid 17325.96 35022.75 14236.98 17367.76 38520.39 77462.24 15037.73 20850.48 23997.59 17225.51 25888.9 17890.81 6142.39 9504.58 58486.56 33560.27 19428.74 37694.19 27894.59 73538.98 17572.06 10297.12 7033.23 10788.18 13919.37 17652.99 4206 4857.58 22118.92 582.66 30797.35 7484.25 26411.28 6845.47 12114.28 11394.03 22166.59 6146.91 10699.15 8025.79 23269.74 95522.68 19941.82 15279.91 40302.74 12435.14 17014.95 23772.87 4323.43 38145.68 9309.6 30182.1 19323 17917.64 22643.99 41729.67 13686.69 12899.85 51976.94 47914.1 11362.86 3824.23 33278.22 27645.52 22424.53 13201.93 72066.93 9436.49 20864.1 36345.02 42894.51 20730.75 23396.51 31757.77 28552.66 103930.93 168813.12 143837.59 119722.91 116417.16 221754.79 110218.17 293703.95 2392.68 306395.81 179164.36 310777.63 143923.84 318383.01 588167.99 311358.92 313475.96 153118.03 56541.97 415073.96 208945.29 403743.5 396666.1 444907.09 341737.22 29611.89 29398.67 29381.8 30190.37 29532.57 29354.96 29397.51 27367.01 29940.68 Clozapine 11412.87 92677.63 16034.55 16653.45 8788.78 9036.73 18615.9 11819.48 15547.79 51340.94 6526.54 11075.51 39832.18 11642.72 2031.85 2296.03 27979.46 16759.35 7171.97 12689.97 7987.45 27471.81 46414.39 19904.79 6861.93 3518.82 12365.45 3777.41 2033.24 10215.23 5816.81 17653.61 14873.56 33833.7 28987.99 7554.74 1508.67 659.87 17629.77 19144.3 10690.84 12697.47 26591.63 14620.87 21157.1 7712.34 12332.68 20982.73 9070.4 15547.27 12009.88 136447.95 30383.06 21348.46 10217.17 39384.17 13119.69 20281.27 13404.55 25696.59 36170.75 117574.39 2933.59 20016.95 18572 17951.92 16540.5 18101.76 944.75 13830.92 9221.98 70635.07 14277.09 41719.38 7755.22 18471.58 18216.71 18531.5 18527.66 18526.52 20331.63 18205.89 18212.69 18718.11 tetranor-PGFM 18958.33 16668.04 18515.58 9914.45 11022.2 10661.16 12259.75 12048.25 8187.85 19095 14170.33 19405.27 13190.11 20556.81 17574.35 12025.53 20737.28 9109.11 17062.96 1608.82 24736.51 17928.78 32506.34 33483.41 33475.47 31879.32 36627.11 33854.31 22316.61 30295.23 21729.43 18681.67 30377.65 32767.95 39049.65 38825.49 32015.19 41790.23 29311.6 41059.59 15260.53 12878.06 26529.38 18371.99 4612.33 8087.08 18237.61 31229.3 24923.76 14141.33 28301.05 20493.81 27949.68 23006.11 10477.33 22645.03 15169.52 17571.26 20152.04 20632.71 20292.19 23095.82 18511.14 22854.86 21036.42 15813.66 7064.82 17115.97 17903.66 18648.48 19676.77 20753.11 20661.4 15852.88 16285.19 17361.41 17701.1 17340.78 18011.37 16337.96 17722.75 17342.59 17347.23 17849.11 Uridine triacetate 69109.34 129295.64 195994.8 140855.86 38000.39 51395.91 97197.04 18755.71 30963.29 98904.39 138880.29 49663.68 76470.57 143346.1 28530.38 58807.76 142923.14 35107.29 45762.02 21444.18 117596.46 198620.81 241293.01 271678.55 95851.89 156124.64 336626.25 200617.56 67230.87 135027.08 80229.96 83880.74 164970.53 263025.13 258254.47 111483.59 163447.17 333599.89 242211.19 350633.04 39423.16 59655.51 225135.08 210973.43 16713.92 101973.19 4143.25 152419.23 146414.02 14352.61 92503.09 134500.47 206799.36 193062.7 85346.58 124172.01 215792.28 225927.5 43540.53 186479.44 232800.34 206130.09 128661.98 155083.87 125088.99 57479.02 24478.19 140507.78 92155.71 28332.67 11408.85 103261.3 68293.41 132496.29 107142.74 54923.35 53511.81 40031.18 53209.58 59397.09 53325.76 53849.52 54968.96 52766.67 Gamma-CEHC 36133.47 41111.38 29175.05 33046.46 54404.21 84768.47 51203.8 49673.68 53703.39 46094.4 51772.03 38256.68 46182.42 34090.15 60874.26 50347.94 32503.5 37244.8 42352.85 23816.97 35360.29 49557.75 38517.26 34267.84 34945.27 41174.7 23173.65 32901.16 45677.54 9729.96 21116.05 25743.36 38230.54 40155.3 31968.91 41257.96 38608.81 22303.24 40808.63 25843.57 31316.98 61726.44 46776.74 38193.38 42225.81 43150.71 45597.9 28086.83 22623.13 32678.45 48817.34 59240.4 44358.65 43014.91 41108.55 55640.03 31687.37 27278.38 53331.48 70167.76 34984.71 38868.5 55427.88 51923.92 35620.2 62474.84 38872.4 40129.49 32415.26 40641.54 42233.5 51009.95 44688.54 42448.78 43713.58 17674.46 20790.75 19941.94 19123.29 19067.44 17071.9 16414.58 22036.9 16108.2 16758.77 14820.27 16295.13 16539.07 23895.29 15511.25 16600.03 16826.32 16445.05 16457.28 16875.01 16478.32 18066.86 19219.2 18852.61 18801.62 44867.09 44471.45 44701.27 44456.34 44856.91 45408.93 44964.3 44009.1 44658.61 11-deoxy PGE1 5215.07 4553.7 6052.32 6445.81 4975.8 5063.32 3556.08 3011.94 4077.08 4077.99 6159.44 8919.98 16535.66 11048.66 6326.86 7237.23 6751.32 3728.22 6091.85 1670.41 3441.74 5453.53 3766.89 8051.28 3958.75 4144.88 7735.78 7905.01 2301.54 2304.97 1988.48 4992.38 4195.12 3014.12 5052.59 2770.1 2696.23 2617.61 7532.11 6679.77 1817.28 1782.43 4971.01 10738.7 4161.26 3976.3 2781.05 3359.74 2294.98 4641.92 4612.62 6434.57 4651.02 8850.12 6052.17 14299.55 5204.13 4800.39 3793.22 9422.13 5811.35 8405.29 6676.44 9211.13 5878.03 3938.53 11499.08 10721.49 8035.83 4079.58 4119.66 3471.19 5449.32 7952.32 5619 4864.68 4742.95 4762.57 4580.05 5181.03 4908.78 4763.86 4934.37 4800.27 Bazedoxifene acetate 2979.7 3423.03 1593.06 2623.09 10787.73 15814.21 5846.07 5800.4 10094.1 9597.7 1656.05 6144.37 1171.04 4704.42 3226.74 19048.47 4640.42 5527.77 9904.16 1399.29 7450.9 2334.06 1819.66 1879.31 8404.55 2793.01 1769.64 5808.61 6277.14 2581.92 3227.4 2666.96 3198.31 2932.39 2003.46 2234.54 3517.51 700.5 2117.06 1881.34 4008.79 15354.43 3081.1 3566.53 8925.8 8212.56 5209.86 1428.01 3359.14 4255.73 11338.03 5194 2372.76 3306.53 10398.13 6050.39 1475.42 1288.05 6083.8 3893.57 1238.54 5730.95 9974.91 4553.4 4155.63 14192.71 9746.9 12825.61 1178.06 6245.81 6493.21 13312.78 8177.82 1629.17 10187.38 4986.06 5260.75 5957.96 5784.03 5248.43 5747.54 5694.34 4784.98 5750.75 Phe-Pro 59245 57487.63 60099.29 4273.48 7337.75 2423.27 37198.39 31389.47 10001.57 61834.54 63573.07 57585.96 34796.3 68902.81 10239.74 23342.48 64824.68 12677.39 102134.13 38025.1 56310.84 32594.61 73013.47 82123.46 72436.96 62963.48 77905.04 75868.74 58839.74 76315.07 67863.9 87325.38 66474.28 69019.17 76174.84 74883.43 55814.16 60726.99 62949.2 84472.12 63157.27 72482.09 102159.93 98472.23 115997.94 6433.39 29104.16 71746.37 73385.68 27647.22 77646.1 57475.77 70632.87 51738.81 76229.51 70770.59 51443.92 18696.18 26578.36 54119.33 74660.85 65920.85 42982.75 68967.93 28369.23 69682.08 12606.43 77563.99 74824.5 36717.52 27543.35 40549.88 33634.87 18504.07 34574 23071.4 25022.65 23043.56 23062.75 23874.27 24015.67 22724.73 23887.66 22858.89 (+/-)-Eriodictyol 5485.32 6840.28 4905.76 4800.43 2049.26 3021.03 4727.72 5340.92 5432.51 5204.91 5185.51 6023.88 5599.79 7768.43 2957.1 4495.88 3903.54 3432.36 4459.62 1011.36 4402.82 5404.25 5513.57 5131.96 6682.2 6414.4 4910.83 6673.35 4221 5839.8 5296.74 5365.01 6676.09 5969.46 7702.61 4913.91 7615.03 7426.69 8326.82 6499.47 4841.66 4951.35 4898.49 4553.95 2617.83 3798.79 11234.31 6134.45 6994.39 2144.27 5222.9 4872.48 6186.01 5448.67 5659.58 6027.06 6358.92 7963.87 7298.46 6856.4 5764.08 6190.29 5855.55 7890.76 9845.51 5121.77 6283.47 3493.73 2660.13 3685.31 12019.29 3440.59 6979.73 6467.83 8543.24 4800.11 4842.02 5250.06 4734.95 4701.1 5143.93 4685.32 4869.49 4596.7 S-Phenylmercapturic acid 30649.14 18230.27 28006.11 39183.86 35981.37 25064.03 44693.58 54464.64 43571.22 39969.25 60690.4 82020.61 64175.87 50176.56 36103.38 60967.87 75769.75 44573.46 72280.54 63708.43 32904.5 12362.52 30598.25 28916.82 46836.39 17934.78 27057.02 44003.25 56637.65 66907.45 50359.74 46732.69 17322.8 27001.81 28118.46 52580.22 40443.87 5501.25 41520.99 30586.17 66854.05 51803.95 47958.25 49046.91 58905.94 51275.41 84288.56 47914.67 48070.04 83884.62 26272.64 22179.98 48460.89 53493.07 35639.56 19084.99 21741.29 23447.56 32621.38 14114.21 41177.41 39222.74 21105.32 54136.66 54497.63 43092.73 33228.8 76562.76 72326.75 39481.15 36642.18 51964.83 60277.86 59584.29 59419.07 51642.53 52158.48 51510.09 51498.79 51044.3 51643.69 51646.35 51307.76 50167.82 3-Methyl-4-pentenoic acid 130126.39 222275.44 127846.26 220082.91 239533.35 222211.19 301483.1 169248.81 157419.86 206794.09 256792.98 350476.12 193974.2 164846.5 213981.42 242453.84 172730.79 175325.39 378006.42 108416.51 111674.37 132864 230351.57 154875.62 112093.08 117399.74 122076.43 272582.1 159560.43 83145.34 79810.58 168167.98 167870.52 167606.25 185972.51 122175.9 219844.77 56303.56 216321.05 118489.96 137983.59 145223.9 201089.12 160515.29 194119.52 184526.54 164282.76 195644.68 116647.96 321749.46 98760.89 161943.96 207185.97 309150.24 148066.9 184375.82 124132.54 134171.87 170100.38 132934.14 177832.41 139962.09 164064.59 301900.91 268836.41 182839.38 121280.58 261383.41 151930.14 223425.56 149038.51 251594.96 220949.29 322634.4 227920.01 1927.04 2285.74 3236.02 2064.08 1551.49 4210.31 3101.45 3036.95 1927.14 2666.91 4145.91 1717.91 1121.92 2817.79 2016.16 2389.01 3384.14 3031.6 1475.43 3115.35 3411.84 4156.61 4041.7 4368.11 3223.1 224921.75 232896.68 227267.92 231338.29 229665.37 229349.44 259282.78 216738.15 227849.1 Bendamustine hydrochloride 6776.28 7539.46 3066.4 3201.08 2897.73 5547.19 427.52 3178.06 3052.46 8589.46 10167.1 714.9 1649.61 6090.56 5598.14 1980.86 3567.99 2715.19 11081.3 3629.88 3267.59 4135.02 2714.53 2707.66 2046.12 8438.51 4559.42 3957.68 4235.87 3749.91 2571.66 10554.31 2719.39 3757.54 4677.69 2525.4 4574.01 2201.99 4893.51 3685.29 528.56 2905.14 27060.17 12161.91 4202.32 4119.13 6692.28 3861.1 1148.98 628.47 4996.75 6378.25 8081.49 765.66 5088.49 1147.74 4179.27 1549.18 1513.52 3330.21 2318.43 4522.02 7244.22 1560.93 883.09 3406.22 7375.09 6072.66 2366.62 5199.45 2364.92 8039.71 5766.52 9415.5 6494.81 4529.96 6937.6 4215.06 7907.56 4781.17 5278.05 4582.28 7335.63 6675.92 4478.65 1317.41 6267.24 4703.7 1461.64 5874.85 4048.78 5118.94 4522.57 3916.08 4619.15 10071.5 5133.46 8785.13 1571.83 4883.94 4832.85 4542.52 4593.33 4626.78 4666.65 4850.08 4360.04 4723.13 Sucralose 19007.02 18459.96 21233.51 21731.81 11980.73 12328.15 16771.52 12709.22 17044.43 19714.31 10543.35 9588.58 8982.46 12494.63 9733.23 15122.33 23412.94 14604.31 20828.5 11445.96 11834.94 17563.03 18013.81 22214.66 23706.29 16457.73 18780.6 14422.52 23698.88 17696.6 16095.98 15749.05 16731.82 18050.58 25282.32 16576.27 16042.08 18415.59 19455.53 17099.11 15869.88 17518.12 16852.79 18195.1 21965.98 15719.06 24846.51 18041.03 19546.48 13513.45 24270.88 12523.44 17951.36 18839.15 17252.92 17227.05 16377.82 20084.38 15913.58 17106.82 17194.21 16835.04 23694.72 17191.69 18106.44 11470.43 14425.27 14469.19 16842.75 14178.3 15917.21 21014.84 13610.85 10278.77 15359.24 14586.94 14142.68 14846.76 14520.55 14103.35 14087.44 14134.73 13776.21 14565.1 1,7-Bis(4-hydroxyphenyl)-3-heptanone 126614.22 76754.82 15531.08 234976 312467.76 79926.74 129253.71 57505.38 100451.57 216533.65 36943.54 47029.52 53860.73 191977.07 83199.36 106797.79 233172.34 119421.35 232903.48 36924.73 45693.66 7904.03 8355.86 17076.57 41548.28 17831.36 10522.65 12539.07 65231.56 51958.56 35501.75 54808.89 10584.06 7861.93 36252.46 20395.54 13491.83 11198.97 18545.72 9523.58 80870.98 55030.81 42527.82 53022.52 230334.86 52506.52 102302.76 45996.89 10160.54 46142.65 34991.92 72001.87 31684.83 52350.61 77288.85 71983.11 3482.01 82084.87 52400.56 40687.43 40784.9 24701.58 187759.55 78861.19 61253.51 63366.2 62858.4 36587.65 44787.91 51105.63 76651.17 142671.27 35994.73 86226.46 39662.84 8519.26 8851.09 3333.45 5776.76 5416.25 14590.19 5216.5 3318.71 13936.27 1016.23 3116.42 3395.91 4022.44 3312.12 4818.42 12894.81 4775.13 15464.22 12110.86 7263.88 6649.47 5159.04 8549.72 5788.36 3751.28 71596.48 76560.43 76700.47 76467.61 71591.23 74643.33 76723.54 71425.23 72523.74 Glucuronic Acid 15024.69 877.3 2408.82 4033.05 19895.37 1921.22 2421.71 31936.59 22944.38 19238.18 16631.28 6807.29 752.32 7743.93 12034.98 13393.62 14290.08 17428.59 6787.78 9648.92 32910.46 5448.04 493.21 1231.86 12163.55 6131.23 4161.57 1567.48 32708.58 17055.23 12473.9 9254.78 10382.02 785.21 615.65 5789.53 15080.73 1992.63 490.37 4750.26 27392.55 23228.64 5148.91 8390.58 5042.94 13058.4 22428.86 16208.68 8462.37 10645.7 14400.87 18081.5 17833.75 14187.37 15572.01 3041.41 2809.48 8184.07 9878.94 5969.36 4807.62 464.03 31483.01 13281.53 29132.65 22821.58 7810.95 36711.2 14884.86 33379.21 29490.48 22051.65 13927.01 11482.74 5970.72 25027.5 17339.6 29418.58 25383.39 30949.33 22042.39 42487.52 15959.16 24202.76 7236.77 13936.84 5797.76 24383.49 11459.91 9089.74 13317.78 17028.28 28506.14 20307.82 23302.19 58804.17 12348.56 17201.47 18326.6 29729.74 15096.56 15293.33 15150 15302.24 15276.59 15708.88 15187.09 15073.62 15310.11 Milrinone 7374.69 9076.57 1358.13 560.44 12033.9 17478.2 1629.41 14164.91 13472.57 9970.34 8703.54 3828.11 7171.9 3743.38 17551.08 10329.62 7486.34 15581.61 4955.18 19032.67 9422.22 4333.67 3858.01 1327.22 5784.66 3784.82 1854.2 3156.62 16279.15 707 5593.82 8541.98 6962.75 3814.3 1871.3 4803.74 9113.93 2254.22 5124.24 1316.49 13410.01 10040.38 5389.02 4691.19 13105.28 6466.06 20329.39 5237.64 2027.16 10164.44 6437.52 10387.89 5708.05 895.57 8542.58 11032.96 3189.59 3625.12 18297.32 11206.77 5875.98 5898.8 10187.34 4979.08 7822.74 8722.72 16176.93 5335.33 3918.6 17707.69 20539.43 10168.56 8278.61 11919.97 6355.75 13135.05 13620.49 13042.61 13284.87 13915.71 13158.55 13499.19 11960.54 12871.72 N-Methyltryptamine 12083.98 16144.98 15757.36 44640.91 24543.21 33059.42 38647.79 13776.23 11328.31 12890.1 13705.11 20236.1 42011.72 13297.78 14702.4 66571.99 28920.41 13698.17 12450.03 7005.91 12163.44 18294.35 13002.84 14312.76 8205.43 9113.48 7115.45 7495.78 13332.06 7807.03 6044.56 21198.68 7654.01 14368.72 14034.53 7784.72 9265.53 6446.71 14511.98 8452.01 18976 14848.19 17155.57 19372.46 12069.82 41007.27 12344.26 13402.96 9107.15 22257.53 10284.54 18653.8 17558.74 58309.89 15817.5 19535.31 22416.85 15569.22 16204.11 28438.47 25642.46 27639.72 15645.98 23036.24 15118.81 27389.81 11809.28 12000.59 19814.82 11170.38 10877.49 12847.66 19611.59 22742.18 28299.51 21888.95 22159.59 22038.87 22013.59 21878.45 23042.39 21452.76 21413.11 21319.56 Nordeoxycholic acid 6323.4 13872.52 51022.13 11361.69 21359.51 8143.23 9268.22 18143.34 10393.02 4103.56 19927.02 27290.24 19288.9 19640.92 13820.13 24088.21 31633.15 17724.73 28470.59 9885.42 15454.4 12690.01 30813.72 12762.72 25550.98 4225.36 1906.72 4384.77 33263.66 3777.16 3006.18 13282.66 21250.99 10216.66 8508.22 20346.38 10362.22 1651.74 8900.21 3796.72 7769.18 11509.53 24861.77 7672.63 19475.34 13727.49 10174.34 19127.87 17839.34 9138.19 14903.87 32232.28 78986.56 27340.79 37990.53 13975.83 30875.18 8660.09 20406.81 6380.53 30410.99 36262.08 19158.72 44894.65 23478.14 12590.76 17198.1 9797.12 9604.62 16070.4 7280.12 6688.84 17080.99 27066.55 20016.21 1585.97 1968.38 3879.7 1877.9 1981.01 2969.64 1339.96 532.0 1473.73 5404.75 2588.43 1454.61 2565.26 854.95 1322.12 5597.27 3414.79 3090.92 3077.29 803.67 674.16 1352.4 21737.01 20825.32 23251.63 20932.83 22108.17 20909.89 22080.44 20860.86 20852.16 NADH 530.88 243.47 3926.86 1717.93 139.73 407.6 820.23 168.53 651.76 674.09 830.71 1094.73 849.64 991.46 528.83 210.63 205.51 308.49 713.77 673.03 160.9 3160.44 122.69 300.07 120.99 93.3 1053.63 905.34 487.65 83.68 127.21 879.27 280.24 5720.32 144.1 160.1 708.37 3274.6 91.28 1236.12 279.05 92.86 1431.5 203.32 175.82 99.39 211.27 1118.58 115.19 650.33 549.62 308 328.63 1184.65 180.2 276.52 4057.33 4869.19 110.03 3728.53 292.29 1409.65 148.42 175.44 134.04 798.43 115.38 177.72 83.14 555.37 572.64 125.05 98.83 996.93 1345.9 3408.57 3203.03 3379.87 3375.62 3375.53 3409.18 3409.59 3385.31 3375.43 Pidotimod 38914.1 36692.24 9576.29 8411.29 26448.18 21511.66 5432.14 44636.17 47977.63 18744.37 14971.2 10562.67 5465.11 20939.7 39503.39 13208.32 11516.12 38842.28 18660.48 76464.97 51153.05 1753.88 11872.99 10035.9 40673.52 40372.87 8299.05 10005.06 60543.12 10779.64 46161.44 28264.8 41839.34 8171.46 8896.76 48513.63 47527.71 6585.65 12450.45 6160.31 50148.5 56221.22 18832.99 15824.38 53116.6 20005.77 63299.29 36597.41 20321.47 36995.44 35960.9 40235.91 12714.39 10808.38 27451.16 40207.7 8388.57 7283.61 43156.15 34555.68 7411.11 9636.82 40362.57 8686.27 19625.99 38995.73 59989.19 17647.38 22462.61 43051.95 45218.15 23953.64 9538.07 7476.68 3911.26 24768.48 24121.8 24612.82 24099.04 24077.1 24781.78 24160.58 26561.81 24613.23 tetranor-12(R)-HETE 8908.61 23645.97 8053.03 3472.88 4369.14 8119.58 491.46 15332.96 18303.74 12678.09 13400.76 14748.24 2412.83 5300.62 19636.68 9769.22 3167.52 15797.38 25908.88 22814.55 13214.87 80488.63 16485.52 7199.52 11316.34 16501.34 5756.11 5597.58 13778.8 6664.7 14947.03 20991.68 13886.75 5673.22 4103.86 9606.08 11731.62 8155.74 4919.93 7560.94 4991.11 20178.03 7745.54 8321.94 22811.93 1504.94 21846.3 13643.25 6863.65 20547.37 7936.35 13920.91 9581.27 3479.71 7706.83 15844.52 6406.91 12835.39 22627.89 13289.25 27865.43 12467.16 24823.46 9488.73 10095.12 15150.21 20446.17 11275.51 8212.65 20974.26 14781.79 13626.6 7782.91 17136.98 4264.48 14961 15137.39 14969.48 15013.55 15281.51 15098.69 15160.21 14929.08 15137.09 Gly-Trp 2699.29 4846.44 2936.31 7990.49 1555.45 8995.15 9691.08 5954.15 6808.72 8112.5 10007.85 11260.83 12756.49 9536.83 3106.69 10706.36 8018.42 9428.99 9454.24 2028 5424.24 14529.12 9077.46 6062.22 1715.69 4217.86 4536.65 6938.84 2019.47 4989.19 4695.92 9522.4 4214.32 6543.27 5462.18 5589.37 3287.8 2304.72 6655.97 5409.77 5309.47 5696.23 8160.03 8838.28 5255.04 9572.32 3061.09 7086.68 4613.45 8886.29 5329.77 7217.71 8418.79 8951.37 6463.47 4922.22 3836.24 6452.64 5373.37 4697.08 6923.74 9600.92 5597 8557.34 7792.91 6555.01 1932.53 6966.97 8882.63 4291.99 3070.64 9739.28 7960.92 9849.56 8365.68 903.08 2379.13 3363.67 5498.61 2487.01 2324.14 4410.62 683.59 607.07 7363.1 1297.28 2189.75 598.66 2745.76 912.13 4033.52 3405.89 556.44 2565.56 1876.43 6650.15 2407.57 1683.6 3733.07 6162.11 5827.01 5853.53 6158.05 6150.4 5738.25 6155.3 5840.05 Midodrine 10652.26 5864 715.36 8041.01 10104.77 17045.11 16113.86 9324.06 7081.07 5828.54 9670.63 24114.19 13853.84 15806.37 8336.22 14944.15 4634.04 12283.57 19083.21 18501.85 8641.66 1617.38 1080.89 3361.94 6496.45 4204.08 3175.76 5582.78 9374.96 8219.77 3066.01 12047.79 2412.9 12250.7 1690.37 4228.61 5381.92 1422.74 2632.14 3061.03 16237.12 12924.72 2794.87 9446.38 13569.9 11184.81 11417.77 12981.29 9729.28 18805.17 7012.08 7145.48 7562.14 6575.79 5659.43 975.94 1094.22 496.04 9118.68 5463 6600.87 5946.53 9855.04 1068.82 820.18 15611.05 8108.95 8719.22 9522.47 3591.92 6162.6 11852.98 6005.46 2495.17 11068.71 11311.43 11889.5 11872.27 9318.64 11936.17 11883.14 11888.53 11528.38 11380.54 Isosteviol 19686.65 4478.96 10764.33 3173.88 12777.89 5681.75 12531.14 44976.51 68036.55 9849.99 11636.64 35836.73 100296.54 40142.36 9362.48 23717.75 345.05 14656.39 101540.83 17472.94 14450.23 3102.33 21561.77 18545.67 14184.51 6446.19 11516.08 2594.81 12365.24 6570.43 8813.03 9534.21 8005.98 11190.87 3079.87 20631.74 15103.97 720.95 32297.33 2335.23 44849.63 15308.22 13818.28 6284.65 19498.15 3636 18483.83 24950.03 25117.73 21474.23 38532.02 20489.73 65160.55 12004.51 16675.37 6296.42 24112.2 1017.22 17365.77 2259.39 15739.35 74067.91 12277.55 12440.86 7368.81 19012.71 11602.54 15173.6 5605.83 34397.8 6872.15 13254.76 4553.42 2017.73 28136.5 30914.52 30976.56 35689.01 32581.36 34257.85 31549.78 31047.52 30899.07 32874.93 Rosiglitazone 7463.64 7825.52 1926.57 1663.84 1119.04 956.78 623.48 1340.72 11130.15 1627.3 3904.98 1269.12 1248.46 1262.09 10250.82 514.79 1251.59 11442.49 2343.87 7851.01 310.81 4429.3 1131.07 623.59 656.2 4238.94 1771.14 496.27 2430.69 307.46 1437.4 2236.95 5646.58 492.63 1157.21 1104.44 540.27 3566.07 583.99 652.38 4187.12 2421.81 3036.04 2078.49 879.69 1608.49 7778.46 2720.02 1038.42 4249.03 1148.9 8916.52 2423.61 3748.7 2665.12 7705.73 1672.08 888.5 3163.75 8093.63 1246.4 1461.53 8108.19 1483.17 1719.92 1430.39 12506.39 975.54 2277.89 514.27 4942.91 2643.92 596.54 3154.02 1474.87 3760.85 3695.17 3513.79 3570.99 3574.62 3646.53 3487.86 3799.34 4625.89 Pectolinarigenin 4413.92 6232.05 7162.91 3748.26 2664.81 3206.8 878.53 2818.21 4145.04 4926.77 4086.33 5455.02 4214.93 4247.69 3767.99 3191.67 3094.1 5553.93 3779.85 3698.74 5852.46 8444.1 7429.13 8151.61 7283.21 8218.14 8426.15 8989.49 4629.57 6097.04 6809.62 5951.37 6429.56 8510.23 12394.34 8167.69 8653.37 13130.88 7817.4 8182.73 5587.13 6608.36 7215.3 7325.21 5396.93 5292.94 1887.19 5643.07 7080.79 3822.07 6394.31 7076.45 6795.81 6617.08 5520.29 6943.49 8459.35 13197.44 5358.69 5522.19 8542.99 6377.6 5673.29 4945.4 4900.59 5137.44 6086.01 7716.92 6068.76 4647.49 5863.2 4838.77 4717.12 4559.78 4934.52 11741.36 11876.26 11866.38 11864.87 11989.93 12326.36 11989.5 11868.7 11986.95 gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane 26368.15 23381.22 7416.08 2348.97 12001 44562.76 1039.55 16177.09 21260.5 37276.85 11516.76 48433.2 2059.35 30634.73 81392.71 38491.61 6365.98 107878.44 97014.97 103869.96 16820.63 25526.39 11447.8 5821.21 12848.08 33274.12 6039.54 2995.9 21269.49 25972.97 28558.63 75952.21 35209.44 9414.15 4645.22 21599.44 41764.48 3664.65 11798.45 3683.2 10059.96 18053.83 30416.08 8184.99 61561.84 14664.17 60848.33 45432.82 26276.91 64182.92 4675.74 33188.89 7812.85 4369.99 11165.38 43379.61 5690.9 23832.74 60092.26 1849.01 4728.81 10077.74 36948.63 38697.02 50796.23 16643.57 88933.81 12951.66 21448.99 62104.7 35330.92 48943.95 36242.12 6962.06 4084.05 41913.59 44537.13 42950.32 42120.51 43404.05 42136.49 43790.89 43383.37 41422.02 3-(2,4-Dihydroxyphenyl)propanoic acid 8802.05 10808.72 12174.71 12762.94 6003.89 9038.53 1762.62 11229.08 11998.99 14920.08 12690.93 13503.48 13148.89 13361.72 16464.24 8664.57 14649.28 15383.74 24441.11 8770.89 9347.46 40139.12 15384.47 13748.58 10847.07 229848.81 15007.26 14560.73 10354.64 11746.84 10614.12 11697.59 9446.22 12466.05 13849.46 11871.46 12405 7871.03 14719.47 14859.41 6678 10203.35 15986.6 16219.8 12064.28 9390.35 12940.78 16642.4 14398.91 12672.95 8391.76 8803.76 14021.21 12303.9 9288.83 16099.57 12729.1 16373.46 12830.19 6246.01 16207.68 14135.84 5037.91 17095.64 15515.97 8671.84 11536.01 17244.41 14225.34 13475.31 12500.18 18339.66 14241.08 16961.81 9810.07 18084.31 18612.14 17932.64 18181.57 18074.67 17888.67 17886.87 17572.27 17761.5 Pimelic acid 1535.5 4831.32 1520 2176.79 8776.52 179679.94 19790.92 7579.67 10122.72 91010.72 3103.27 6988.98 2460.62 2514.68 11829.42 26008.83 7346.06 6808.21 12300.51 11411.3 3945.97 41294.88 34758.85 1320.2 2171.08 10466.71 1265.68 1667.47 4595.6 851.71 1122.89 3494.76 4506.77 20624.62 1131.94 1798.77 1584.61 370.9 7434.11 1128.14 2275.42 3328.07 3301.61 2545.64 3354.2 3632.95 6593.94 8214.4 2688.03 5078.18 786.56 5322 1687.42 2361.77 2623.84 17997.82 2663.91 3568.78 9926.88 5766.81 3299.67 3320.82 10218.96 8487.14 8063.11 3670.29 8596.61 4552.36 3428.54 6078.68 11909.67 5306.89 4288.2 4264.57 7177.09 14402.77 14503.58 14444.12 14341.92 14476.72 14366.15 14504.34 13682.55 14336.83 Zidovudine 8143.41 4149.69 5064.92 7714.75 12017.16 58146.77 46996.3 22159.26 20833.9 33637.01 54463.56 15951.74 8352.71 9148.89 12307.01 13174.43 4149.34 9477.54 10840.68 27378.87 761.39 22997.92 22093.03 20456.36 4177.21 9642.28 9425.38 13529.08 2418.08 4639.39 5684.55 12545.59 1335.39 25824.17 18557.3 12847.04 10980.18 8058.57 26889.24 14980.96 21605.83 18813.91 11251.41 11885.13 28195.13 8077.29 26960.34 7057.87 4420.2 10450.85 14306.21 10004.79 10677.92 10015.19 13493.37 3504.88 4203.63 8258.22 2723.2 29400.46 38402.08 30170.97 7466.59 7712.41 1272.47 19342.34 9609.93 8230.34 1418.14 19077.79 15472.61 14642.96 16819.37 13610.48 9059.22 12130.65 12358.87 12838.38 13079.86 13089.5 12833.72 13148.27 12122.11 13151.66 Lopinavir 9595.5 2968.67 3115.25 5216.79 796.71 904.51 1487.82 9142.93 10197.36 9162.65 11215.84 8035.49 5317.13 5611 4783.69 6865.28 7642.59 12516.01 21058.38 7580.05 3528.17 3080.6 9176.07 2242.52 4795.1 1854.5 2589.06 2884.8 3307.12 1550.52 1637.46 7989.71 3977.67 3088.55 2577.19 4416.72 6345.62 1396.05 6978.71 976.76 4601.4 6781.9 5527.54 3805.76 8103.12 3844.84 8972.82 6376.29 8986.28 9866.13 3934.54 3525.28 8877.11 4321.46 11774.61 4923.07 2088.65 1169.45 7128.01 3544.85 11011.63 2712.06 7732.45 10886.73 6121.77 9598.61 4788.88 5599.73 5657.46 13032.75 6957.11 11387.25 5579.1 3312.29 9580.27 7534.81 7727.61 7998.56 6230.08 7493.92 7900.4 7814.74 7929 7465.44 6-ketoprostaglandin E1 28874.74 22202.67 23769.88 37458.25 14944.96 22345.88 32387.78 32453.02 33786.04 34706.23 48403.38 55741.66 47975.7 59053.99 26574.59 44710.74 43920.99 22671.33 36916.51 32092.79 25146.03 27435.43 35750.87 29351.12 24946.36 16662.47 22296.23 30317.74 27506.49 23111.4 22324.73 33049.98 17604.64 26530.91 20912.62 19955.63 26877.81 10098.61 36538.14 31523.94 2393.7 31274.47 44732.85 48568.44 215288.26 40405.15 29916.71 36598.01 24144.7 39499.05 24319.62 28195.36 35509.54 39594.47 35626.32 28399.08 20989.25 25035.07 31393.59 29792.07 37355.45 42827.92 29919.79 45841.81 37337.22 45827.86 28411.51 38394.91 49603.67 32209.57 33880.5 49388.85 59432.28 50290.83 53260.99 36200.02 37254.86 37542.26 37397.83 36927.27 36923.02 36567.27 37002.78 36917.63 Fusidate sodium 6714.02 2835.42 5427.76 4039.03 2497.84 2616.13 3353.04 5884.87 4455.52 4632.68 5696.84 9309.3 6217.57 7814.16 3937.65 4630.17 3277.55 4093.49 4857.73 14364.03 10918.2 5314.14 6402.31 6319.38 8321.5 5797.95 3674.52 5989 11732.76 10353.43 5018.33 7580.49 2272.63 3701.19 4811.03 3915.72 5469.26 2551.74 8600.01 4099.42 6437.52 7482.86 21080.9 5677.2 10309.48 2948.34 6134.25 3801.49 7380.99 6902.3 8255.81 8861.85 5368.59 8566.73 6377.58 6356.88 1969.63 4425.26 5777.43 5391.58 4558.08 3026.97 4350.36 3160.68 3757.92 6307.15 11793.32 3639.98 5570.77 9259.46 2909.04 5604.88 5991.85 7257.54 3905.81 9798.5 8246.93 8289.11 8167.09 7902.49 8891.75 8987.78 8556.47 9073.04 Erlotinib 9776.28 4143.47 2743.97 7526.61 5538.86 603.06 6736.2 10142.64 13918.13 9459.04 3033.61 15025.14 6134.77 15906.56 27871.3 28724.58 18280.85 19701.2 44857.79 11414.46 8206.01 3732.69 3773.8 5132.78 14529.91 5801.31 3768.21 595.08 30811.31 16672.28 22487.1 28359.14 2581.65 3816.21 3176.79 10338.16 8878.55 1296.1 4447.88 7103.49 17107.02 10772.78 9791.69 15468.66 20305.72 6077.19 10277.12 14983.05 8467.89 29837.43 10655.64 4791.79 5640.88 3084.52 10297.34 1578.31 2617.01 4545.66 16886.88 5094.41 580.71 4140.71 11781.26 4857.69 16443.89 13187.97 12933.18 24661.28 16433.41 6317.75 10421.34 17289.51 708 8295.61 10439.78 12806.6 12554.47 12815.77 13896.71 12813.14 12919.54 12316.38 12498.37 12544.48 Glycohyodeoxycholic acid 10202.98 1633.26 12032.18 6454.09 21108.5 1519.95 12239.33 14696.6 7317.89 4428.02 10781.85 6838.29 15460.64 13476.15 3344.24 8371.81 47146.9 9854.64 8763.49 2250.08 7568.07 3886.57 12717.33 2262.21 10118.76 2484.1 3296.87 1724.34 8269.24 1157.43 2794.32 8410.42 5911.16 5387.59 5114.33 3319.57 5587.74 2479.09 5949.48 5366.07 6614.46 21313.35 5644.03 5197.96 5855.17 16416.73 14172.83 883.73 19576.84 12198.8 27248.47 11451.28 9900.41 28153.69 37801.76 6053.76 9421.24 4617.26 13411.14 3809.31 5071.19 14502.65 14391.58 18597.44 7737.76 22277.51 6174.12 8054.74 5503.7 12327.14 1296.76 7404.29 15270.21 10136.6 14641.15 14491.43 13287.42 14336.81 14261.89 15781.24 13514.66 13623.5 12940.07 7529.67 Mesalazine 14006.97 16922.09 24413.63 18464.13 12509.57 7704.26 20720.99 13435.88 11697.11 11204.92 20647.81 8773.41 22969.84 18733.29 27118.87 19553.48 19570.47 23236.38 9904.18 10139.89 10345.97 3836.19 13540.48 17135.13 12511.89 11469.11 12416.75 12959.19 8965.29 591.58 8688.97 6691.47 11793.41 18642.77 12679.29 8506.8 15185.52 6702.67 19776.23 22697.66 5790.41 6042.23 26401.08 36465.46 15281.52 19738.43 18476.36 17976.62 6788.76 13596.06 17282.87 23194.84 27120.66 28350.92 21756.04 25691.43 27043.59 20089.3 17369.49 24801.27 30011.73 34116.48 31508.19 36600.15 24298.83 19951.65 14167.01 9281.18 18000.73 19665.21 21671.01 17144.08 29413.2 31506.58 32600.06 21434.19 21375.3 21667.54 21738.43 21447.28 21528.49 21721.24 21785.95 21449.61 Nefiracetam 13356.93 10747.33 6776.93 6714.68 39842.06 19187.62 17721.57 18617.03 16178.03 17667.2 14147.07 27654.03 21311.12 16035.02 20216.36 29698.48 8919.38 21589.7 27807.53 19317.69 16837.38 16044.3 12273.15 5399.71 12952.6 9422.03 5788.01 7450.08 19171.06 9795.82 10735.55 28918.26 12688.3 2394.61 4875.67 12392.49 14300.86 4766.55 5676.35 3335.81 14856.18 21370.32 8416.87 9679.8 23368.52 27389.05 7414.76 6927.3 24524.31 19614.98 27193.19 16753.13 15078.66 12060.95 22473.46 11577.01 5111.17 4835.21 26204.88 16761.06 13951.72 11870.54 18545.87 11882.54 9996.33 23083.82 19023.68 9126.56 11601.78 18659.63 10094.72 17200.74 14759.66 8343.25 15622.75 22818.94 21739.28 21281.18 21292.94 21765.4 21772.24 21265.47 21242.59 21252.44 3-Hydroxycinnamic acid 63344.18 29653.07 8988.03 18320.17 70243.11 41873.82 76783.75 86130.21 92384.44 63896.74 22066.89 57261.62 43244.85 26638.47 96039.4 45874.04 26122.14 76305.89 53549.42 94420.81 46907.73 14433.92 11101.51 9383.84 46074.55 24361.5 10499.85 21942.92 60811.49 25607.23 50484.82 41613.11 28598.84 9010.59 9343.34 43757.25 42159.53 6138.55 16939.7 11460.57 71747.92 82515.79 15774.11 19261.85 79291.86 29521.06 104525.78 32804.07 36917.59 72083.23 45376.91 28088.7 13741.86 17780.56 72782.7 31597.62 9033 15144.65 77716.64 17641.87 13683.09 43582.64 32438.05 19235.56 55126.79 71945.42 57024.39 56280.58 41017 67111.89 40979.9 38247.8 38835.27 20605.59 24058.8 53076.42 53307.24 52971.31 53639.15 53310.54 53310.22 53187.97 50901.79 53123.86 3,5-Dimethoxycinnamic acid 14382.08 14517.22 18931.59 7237.37 3200.89 1502.63 6191.48 8280.6 4803.94 9269.26 19360.98 6084.38 5132.38 25264.04 8777.03 8474 10733.62 3166.12 6830.98 2328.1 15057.61 18579.07 19116.05 25152.15 21001.58 21143.76 27348.8 29010.67 12629.21 10886.54 7709.53 8429.89 4969.57 24015.12 25909.3 19695.19 29697.88 20198.89 24774.07 29089.29 4087.59 7398.91 22547.48 16401.93 5845.44 6986.62 10009.01 15531.35 20882.28 3904.05 8269.46 18866.83 19075.83 17978.97 7588.86 17715.87 23927.47 24711.34 6391.55 15470.17 17061.98 20261.16 4589.2 17038.05 12810.17 4546.45 5448.24 24507.29 19526.25 22553.6 8237.22 17773.39 10951.99 14677.31 15899.09 6401.6 6741.43 7019.38 6286.25 3159.16 6107.83 7493.29 6884.46 6903.25 Glycerophospho-N-Arachidonoyl Ethanolamine 57775.52 33183.98 6481.92 20753.62 43537.52 43199.24 37334.52 76627.08 76120.14 44748.06 40915.37 56694.92 28883.51 21013.54 47705.74 39107.56 20376.18 56444.33 60480.74 107165.31 41730.92 19243.72 18450.39 16280.14 36476.73 25891.38 9849.51 17168.84 60656.38 25054.66 42829.55 32810.18 26560.96 16951.16 12188.34 34182.94 42520.83 8913.36 26849.97 11801.55 52829.52 66496.95 25863.69 22684.84 75501.42 26318.3 82746.81 31200.14 24947.97 51448.9 39421.68 38423.23 22453.95 25981.63 39640.25 31639.18 7540.63 11759.24 50551.22 22524.14 19286.84 24696.15 39200.95 34568.59 31695.47 58473.49 69120.72 26914.74 26789.73 69169.47 69973.62 53641.24 43713.26 33398.93 30075.52 16978.07 15077.55 10017.09 12876.0 14598.69 11346.43 13822.16 33921.81 17339.97 13193.76 13559.17 17297.89 26367.47 26409.25 8275.58 28247.75 10567.14 14751.5 19054.05 13755.65 9412.7 16257.66 23018.85 11607.1 21769.92 47756.63 48039.38 48043.19 48033.52 49676.55 47937.84 44412.64 47318.08 47323.57 Potassium Canrenoate 550.07 568.7 834.08 650.28 4651.68 20397.47 7098.62 1657.18 743.54 318.25 883.29 1438.02 1884.25 820.63 453.09 616.57 1936.64 428.73 760.42 822.38 693.31 2801.32 284.43 387.27 541.98 173.84 535.57 348.9 346.83 434.79 400.85 1963.7 328.6 4264.46 155.12 395.81 849.45 1638.11 387.24 161.84 1201.7 579.89 336.42 328.91 637.83 960.34 663.58 659.02 534.22 979.5 1366.01 593.53 541.9 455.14 7392 669.78 1860.31 574.76 365.55 1465.15 1014.09 713.33 936.68 706.87 815.84 1055.46 1145.45 571.6 624.5 372.17 599.85 1165.5 972.45 1164.56 1161.13 2771.47 2591.49 2536.78 2683.43 2815.26 3048.62 2163.75 2460.22 2791.4 Oxfenicine 15288.74 14108.86 13580.29 22695.61 15755.63 21766.56 22105.98 18568.97 18547.12 26157.5 22684.1 21292.62 24051.25 22497.59 21356.05 25641.02 23245.55 28026.32 24929.51 18226.55 11163.35 8646.09 12297.19 10990.34 9050.15 11161.74 8921.19 10803.71 9256.63 14924.27 8693.24 15079.86 13970 9832.21 12659.38 10702.71 12259.39 6975.78 15722.51 8529.19 17235.97 17410.29 16266.09 22690.48 28200.71 23207.78 21820.79 13739.11 13409.19 25507.24 14849.48 16972.8 13804.85 11058.93 22323.96 18606.47 13365.64 16925.64 21974.83 22764.68 21028.03 24701.34 16202.53 23064.25 15988.62 15807.84 22759.78 17256.11 17587.43 25837.28 21812.36 26301.05 19898 19329.24 17749.85 21577.22 21016.1 20962.61 21103.33 21549.13 21071.2 20967.5 19155.87 21552.02 Harmine 195581.45 40330.57 1049.04 5908.97 82731.59 4130.47 23087.83 191531.47 233151.24 8254.78 14276.28 48168.96 3635.53 19995.67 264516.5 89294.58 43231.69 128302.11 29635.62 362494.96 142099.47 7999.32 9296.57 965.36 92374.8 41943.65 5915.65 7892.3 195562.04 68587.72 73277.68 54743.2 74472.6 12785.37 6215.06 84790.84 165668.22 2610.06 1126.47 26576.35 119709.41 171964.86 24449.12 31840.07 124916.1 2698.39 426221.3 18741.95 52251.02 46675.72 48240.91 18325.99 7494.54 28820.45 111259.27 64502.9 1009.31 2367.8 100747.7 10925.15 10967.79 487.44 79612.24 48258.84 122582.29 148298.25 106764.02 28128.14 125900.28 205054.41 210714.2 41706.05 126193.59 42403.85 25979.45 96891.49 96883.53 96741.41 96439.37 95938.03 96154.36 98232.26 93301.65 96620.55 FFA(16:1) 10816.78 14710.75 5122.76 12625.81 7159.52 10659.81 13437.53 10690.72 11483.35 8819.8 13534.82 8678.41 10675.53 7459.64 21043.35 12757.52 21078.42 19142.95 10916.07 16266.26 8387.78 5789.94 4617.77 5494.39 5861.75 9384.66 6152.79 4960.69 8488.83 15843.25 8380.91 7214.52 15390.74 4860.12 7479.48 6320.07 12306.87 6255.74 7265.43 11229.02 19001.09 7568.47 8993.68 12255.32 9311.54 13609.37 12157.54 12848.5 4769.18 8738.97 8393.37 10570.33 7187.94 8483.39 11381.85 14033.16 11298.88 16791.6 21626.19 19962.38 15858.76 9440.02 15320.82 17542.66 22021.12 8434.09 12444.46 7569.51 9637.05 14577.68 20011.63 16516.24 16099.64 16848.88 14646.27 67398.48 59293.75 62582.28 62969.13 55965.16 66747.39 55190.45 39949.7 83024.25 51671.06 52893.38 51252.24 39198.71 46644.44 31474.34 48406.76 61191.66 43871.51 75961.55 42163.81 36705.9 50441.48 58156.12 33851.31 35689.55 12361.33 12361.32 12544.01 13077.61 12428.02 12464.44 12355.77 12355.57 12356.63 Lumichrome 12387.34 11545.37 4262.93 6586.91 13519.78 18168.05 9522.2 16184.57 14845.61 10064.43 7030 20673.85 17978.61 13130.02 17550.91 12083.1 9163.69 27775.66 16304.29 30713.48 10278.72 7997.96 4809.25 2800.04 7491.37 7743.06 2816.37 3850.41 16194.07 6459.1 13592.04 13546.36 7171.23 4318.44 3021.82 12099.41 9097.03 3325.05 5859.37 2390.68 24567.6 16011.04 7166.37 8362.56 29064.14 12860.08 26859.81 13198.6 8268.4 19145.28 10724.51 14052.89 6734.63 8632.26 12523.69 13354.48 3561.93 5265.71 13827.15 10132.19 6910.95 7619.61 12106.44 7621.75 9208.51 16234.53 21053.06 9321.5 11065.88 12185.13 14230.65 11938.94 5863.15 10886.08 9838.07 2525.73 1023.07 2631.35 2223.74 2619.28 1759.39 3163.31 2149.5 2322.7 2299.65 2661.98 2338.89 2904.87 1186.29 2956.07 2962.31 2143.59 3427.34 3446.18 4021.48 2534.9 3497.69 3727.95 3792.93 2878.68 14711.94 15345.02 15004.64 15020.1 15572.25 15013.46 15008.97 14745.22 14414.3 Glu-Tyr 60335.68 54298.49 3452.42 13925.76 40386.57 113309.82 55103 39770.8 39212.24 60659.4 19956.55 70492.13 55556.86 83710.57 58355.37 42108.12 33339.94 133649.65 77357.84 130118.08 15990.29 35369.09 13511.87 1755.33 15768.58 26758.29 17171.18 12901.23 35424.08 24682.87 57072.99 124383.94 4562.54 15545.08 1352.22 36373.64 10823.29 8360.83 31140.07 2160.54 148977.07 124123.44 25531.06 30947.72 160024.71 69684.23 66991.87 31246.16 29832.19 174714.53 55194.51 73380.53 26361.43 43570.06 63747.16 52707.54 8682.58 4443.39 24808.17 39644.03 1989.7 2738.64 45482.16 17571.54 20416.32 104272.13 181244.2 33784.5 40885.22 28821.22 29103.76 54885.29 23994.33 28222.75 46707.84 2238.17 734.44 2051.81 2158.88 2152.3 1171.32 2127.57 2198.04 1773.8 1422.25 768.05 2249.86 2274.16 1684.2 1305.74 1250.38 2458.03 2273.75 1328.63 2779.99 2417.48 1746.48 1717.71 2469.07 64693.33 64004.15 64442.09 63993.74 65044.49 64656.46 64005.31 63713.27 63971.3 Sunitinib 9792.9 6264.28 2716.84 4059.14 6898.42 12082.03 7855.94 7343.83 19883.12 14553.95 8392.67 15936.06 11029.77 6900.68 10518.7 5566.93 3932.37 10668.96 10643.48 4288.12 5119.91 8550.71 3044.14 4684.71 4761.47 1955.77 1356.55 8394.35 10629.06 12488.32 6025.94 8456.98 2210.09 5306.39 2402.91 2424.5 3111.58 2578.62 8020.69 1719.11 14422.12 15944.35 3958.37 3587.92 20991.1 7011.25 9089.11 4452.86 4799.23 8488.12 5286.09 12239.77 5490.02 6218.02 6758.11 7341.76 15161.18 4078.92 6308.96 2785.89 3908.55 6530.23 9433.41 4739.91 4507.95 13897.84 17909.41 4032.23 5896.97 8180.68 11571.48 13031.52 7177.06 8634.34 7539.49 9220.24 6045.25 9174.15 9204.74 8634.26 8892.82 8747 8602.34 10304.79 Pazopanib hydrochloride 2304.46 3697.23 714.52 1977.2 1752.85 2608.31 1258.21 1610.35 1705.75 2869.81 1495.04 4381.9 1503.02 2515.31 4618.88 1919.27 3286.56 2028.23 2046.78 445.3 2543.42 2039.55 1108.22 1109.13 601.98 1834.07 572.59 574.31 1534.73 934.5 1335.94 2465.54 1849.98 717.84 885.47 984.94 1247.59 1360.64 984.88 568.88 1580.45 2179.36 1253 1054.92 2389.37 1100.87 2736.99 661.18 807.48 1167.43 1535.93 3888.49 996.84 1184.66 2215.18 2538.61 1061.06 1020.6 1945.23 2578.31 1104.91 795.85 2713.03 3316 1688.36 4784.15 2331.31 1481.85 1132.99 2483.58 1993.92 2647.46 2056.04 969.88 1455.37 3669.93 3711.44 3425.08 3221.97 3589.05 3336.01 3728.03 3194.87 3750.81 Prostaglandin A1 ethyl ester 37574.54 4681.69 1242.77 4133.44 24882.1 7015.86 3025.12 77686.17 33561.72 16742.58 2751.21 49843.01 14738.34 20226.85 43157.51 17646.97 18161.78 14134.17 14038.53 39530.62 43513.46 1910.39 4364.25 2318.68 14119.35 6439.81 3672.7 14087.46 24498.28 27377.11 30678.82 22476.73 17568.56 4137.02 1686.46 39011.94 33491.5 3284.22 9096.22 939.9 42210.03 49858.4 14372.89 6980.3 74079.47 5648.4 18059.14 17361.36 7539.41 22374.47 48194.04 19643.66 23313 4890.69 46517.61 7484.21 2336.01 2493.12 66655.58 10818.91 25938.14 22650.01 41410.06 7747.75 23275.18 18103.95 7419.95 595.07 12542.14 68852.98 13066.06 20423.76 24231.23 8481.45 1136.36 19272.24 19766.88 18373.03 19766.8 18373.71 19593.51 18451.37 18006.92 17859.68 Resolvin E1 30271.51 12759.6 4941.19 13090.71 10173.96 11989.3 5194.18 35199.21 39917.04 21654.62 26445.38 28691.84 11234.2 13624.74 37683.2 18915.64 11533.1 23491.43 17880.42 23979.51 26894.86 12290.09 15131.09 14179.84 24116.89 24136.72 12405.43 16259.21 29176.82 8652.35 16411.86 19327.34 18423.96 12290.96 8396.36 17580.49 22479.56 4665.1 14966.33 6931.32 11205.97 52123.3 18608.7 17431.79 32073.3 19737.32 27842.29 10621.23 9684.39 18117.79 33574.4 25400.74 8860.14 12277.66 34982.76 26577.65 4285.65 8060.96 31929.42 59734.59 14922.47 10662.81 28035.13 10692.79 13535.24 47464.47 36324.27 15021.52 24561.92 34410.89 30842.44 24464.82 20625.35 15776.97 7019.87 22754.45 24067.72 23828.23 23529.05 23991.59 23625.11 23992.41 23171.93 23824.32 5,5'-Dehydrodivanillate 9614.84 8163.79 2018.56 6391.96 10781.27 14080.57 5529.87 13579.58 10511.34 7215.09 5750.96 5910.31 6222.95 5701.17 18697.89 5889.23 4617.16 7309.31 7249.61 27297.72 5627.77 3849.5 3994.74 2823.04 7862.33 2949.62 2525.67 4084.91 7019.59 3218.84 3324.01 4587.61 7396.02 3117.26 2856.61 3091.24 9420.3 2298.51 4019.82 2166.46 13451.51 8955.94 5166.77 4677.27 7432.63 7376.87 8586.12 3891.27 3359.38 9708.97 4304.03 4821.49 5131.75 3202.81 6307.98 10985.7 2578.64 2200.32 15575.59 5876.47 4182.8 3354.44 9181.51 8045.14 4739.44 7735.96 15311.17 7808.78 4776.95 15429.67 17496.77 5848.2 10327.68 5521.72 4294.2 8384.09 8646.13 8940.56 8520.83 8948.2 9043 8946.63 8580.39 8373.15 Hesperetin 51061.4 36634.77 22668.87 57530.28 57392.81 33201.62 103573.7 78045.52 70975.05 64864.31 124930.78 138918.25 106507.6 91161.56 49593.55 128762.02 83060.25 77974.12 112942.27 67865.29 46659.19 11208.93 33827.92 68810.66 38240.87 34945.84 47369.23 70656.62 42273.51 67833.63 41857.38 117948.19 24942.73 32655.74 48923.04 42159.74 46984.77 10753.41 74797.6 40335.4 69935.57 71764.36 88498.52 102443.04 70070.18 117359.74 78558.57 73830.88 56679.23 123222.81 49087.76 39339.88 89955.37 81781.96 51550.49 39479.2 24160.76 24662.08 52347.06 7574.82 84100.9 33762.41 40518.43 64091.07 66695.11 70186.09 71761.51 142518.84 124603.17 56717.73 52388.21 84991.86 94808.52 60677.3 125420.21 68775.31 69764.88 68838.52 69642.32 67870.71 68817.52 70706.62 67453.34 69644.12 Loganin 24718.86 8512.9 957.56 1622.01 17342.13 9393.08 4183.67 31237.05 30828.13 10801.98 9442.16 2324.07 2920.72 5204.02 28402.59 17085.02 9586.26 26520.67 15681.41 65639.37 16613.41 3219.45 1099.17 706.09 23582.03 7611.7 2257.41 9178.16 28584.46 8815.39 25113.16 5697.92 9640.89 623.94 3904.18 21400.12 23307.16 2381.92 4290.33 7581.57 29581.2 30471.96 4004.39 3180.31 22891.74 1872.36 49254.46 5745.97 9814.62 19464.28 12978.34 10573.3 657.37 1937.19 22032.02 6834.12 930.27 1187.02 23510.86 439.34 588.76 2648.12 9634.89 6129.31 15872.92 27700.12 26883.14 9480.73 15172.96 26615.83 28485.22 18373.12 23043.03 3691.79 4823.77 11455.78 10960.05 9580.84 11370.8 11366.12 15508.62 12661.69 19452.16 18901.11 14726.56 13520.52 13157.99 21390.11 19053.62 9602.35 13497.43 10593.78 13100.6 12308.73 12175.94 14286.92 17704.1 14078.21 11999.81 16421.81 19789.25 19672.03 19086.71 19798.23 20387.54 19708.98 19853.88 19579.39 19638.75 6-trans Leukotriene B4 8548.58 10092.65 10624.62 9587.66 11466.88 10228.98 2389.32 13053.63 12391.73 13246.11 9012.01 18179.13 10968.77 5457.41 23348.64 7731.26 12498.36 8834.54 9013.6 3944.87 12524.6 6495.44 10539.33 8410.11 20181.94 14368.44 6905.3 6288.82 15963.39 2133.94 1186.65 3052.28 17096.34 9181.72 7077.4 13277.18 12759.45 6522.54 9720.79 3852.95 1772.87 14533.66 6597.34 10989.64 11571.64 9035.99 11224.4 17039.03 5815.51 6627.43 16241.69 17314.09 5951.67 9678.41 24354.38 27317.79 9052.2 8989.08 20167.71 25874.78 11072.15 14083.18 19551.62 12551.91 8743.69 28628.66 20938.05 12193.6 7054.16 22509.37 16324.09 15007.92 8705.64 10583.37 11833.34 14206.97 14357.03 14361.48 14032.38 14615.2 14368 14317 14096.46 13422.41 5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-YL]-1,3-benzenediol 6988.6 5235.67 3735.02 5801.4 9680.41 9080.72 7588.4 11459.08 12453.89 6752.44 9658.85 9217.58 10307.66 5994.02 11302.78 11287.83 5390.48 8275.06 9804.17 9942.56 2047.75 2443.39 3449.33 5025.09 3183.74 3256.78 2326.07 4819.06 5942.06 2734.14 3910.46 5760.79 1718.27 3662.97 3547.76 3390.12 5038.39 1957.57 7334.52 2740.71 13039.29 19722.23 5156.32 4450.66 12972.49 7506.8 8580.31 6378.93 4297.3 12135.89 5846.01 5376.59 6694.66 8438.99 4856.49 5301.52 2249.42 1888.12 11499.93 6998.58 6037.89 5619.43 4398.15 7454.1 8922.52 9261.29 11768.94 6659.5 8868.03 5131.33 10992.24 11551.98 11325.66 8834.52 8591.59 11218.56 11015.85 11174.19 11409.54 11403.78 11694.5 11402.82 10896.94 11398.89 L-Tyrosyl-L-serine 11554.08 28304.53 3104.17 11396.28 1220.52 4763.25 1430.87 3457.05 2582.58 1928.69 2034.22 2884.82 13278.59 20628.77 23342.56 9155.14 13346.58 24430.99 12487.3 19363.22 1399.11 609.72 513.89 575.32 1155.78 1525.39 189.38 989.04 675.32 3455.82 12410.98 27619.12 729.15 513.45 552.85 4205.8 236.61 1410.76 417.37 427.71 20854.32 21502.92 1709.63 6508.05 21067.46 10366.4 10361.61 659.86 4770.21 31917.9 10774.74 42232.6 4430.39 11885.47 12121.68 35974.75 1127.49 1962.37 962.27 557.72 413.92 641.28 12371.89 2983.13 11836.54 22756.42 65811.3 2803.3 9569.9 433.13 2176.94 1223.08 1509.78 11398.62 4015.74 14505.08 14700.14 14719.29 14755.86 14971.39 14760.39 13865.43 14081.13 14345.47 GW 590735 1897.04 6623.49 699 741.2 2986.39 2022.6 702.76 5719.68 11235.41 1192.71 700.53 1369.74 912.83 1010.01 19403.73 927.49 1602.1 14106.12 3722.52 41557.24 7923.02 2072.67 1271.59 1322.97 9420.01 4233.07 1601.95 1204.6 8299.55 524.05 9452.62 506.14 8212.16 382.41 538.58 6012.54 11916.46 952.83 706.27 1554.61 3320.6 2954.69 1597.54 1132.25 5926.64 425 67803.79 10987.87 421.24 7080.97 533.74 1392.62 1008.52 813.77 431.12 438.56 1366.81 1185.95 9682.73 336.79 840.88 601.32 549.77 816.05 8472.9 474.83 2995.91 1677.91 3291.23 13426.73 12908.98 2673.42 4694.75 2282.78 2111.23 3308.53 3592.04 3307.36 3507.51 3438.3 3312.48 3560.88 3563.39 3372.39 Cianidanol 1606.76 4237.97 7309.9 5078.89 487.33 1854.64 3773.91 1341.84 716.06 1861.2 7664.07 1833.63 4468.82 8499.76 3366 3499.62 6910.63 1945.08 1506.23 1532.68 2625.87 1429.63 2456.67 8645.95 1426.86 1245.28 1068.21 261.98 953.94 1061.67 1114.62 2461.44 572.95 1242.86 3928.49 594.63 1838.56 2423.04 7164.36 1483.98 2450.14 1529.08 3624.74 10644.73 3445.42 2714.73 1108.04 1472.79 1528.74 2303.46 1105.66 3160.45 3146.05 3210.2 11155.26 4996.84 11326.35 7258.5 1268.75 6494.31 10897.53 5222.53 10207.59 2181.39 2043.97 1921.47 1418.23 7786.11 6655.18 1357.78 1941.58 3867 2953.64 4252.69 8385.44 3323.66 4863.69 3325.15 2853.26 5181.66 5611.86 5746.07 4811.62 5176.1 Procyanidin B2 14978.23 14436.66 2286.24 1056.45 2887.61 3391.5 1539.04 4324.55 29526.67 10056.87 10661.26 1537.58 3411.73 9688.23 30251.07 16728.84 4448.51 6447.56 3798.44 6581.84 2125.61 814.39 1551.78 2259.35 7465.16 13518.86 5696.71 2200.48 2825.79 307.02 734.25 3464.22 1751.83 291.77 1742.25 2616.91 17912.96 831.41 751.24 10273.3 3540.49 3150.72 3602.84 4117.91 6050.96 3446.65 3907.23 793.61 2284.41 13590.5 4377.06 8339.03 2595.28 3992.05 15308.42 12691.88 4193.6 3356.44 7534.93 1530.63 2110.3 1209.51 26206.99 20256.94 16437.07 16208.07 21396.44 10783.09 19568.6 21912.3 22564.02 22494.11 21698.78 10561.07 17312.8 13447.28 12316.11 12422.29 12859.77 11764.79 13697.43 13312.62 16498.53 11166.66 Uridine-5'-diphosphate 11527.66 3778.36 20659.2 21506.3 23807.24 59119.58 35692.18 6287.63 1404.9 17352.32 31862.15 35846.06 82803.8 45249.5 4374.02 17238.66 22372.86 12371.92 71006.45 3954.67 18760.39 55318.38 23612.6 32595.98 14023.52 8258.13 22368.34 19768.5 15323.27 41144.72 10134.2 55613.57 5544.44 43787.3 48921.12 16088.8 9382.35 8205.35 47013.94 27852.82 94684.03 38641.21 44554.32 53418.19 21726.48 39870.65 6997.04 26560.49 21328.54 34520.48 17486.83 7745.63 48823.59 67985.21 41266.9 12756.8 29723.04 32631.59 12044.36 67995.83 25760.68 49793.22 8971.14 25668.33 5739.37 21987.75 2248.86 36426.55 19680.1 2971.37 3728.06 64772.54 40654.48 56572.52 32715.87 9514.8 9501.16 6606.5 5865.93 4714.91 7975.75 8224.8 5871.59 14299.52 16656.58 15538.41 15018.86 10435.61 4867.24 11431.99 6961.12 7642.06 11442.33 5614.02 13894.26 8080.28 8537.94 9036.65 11868.61 12546.95 34149.18 34384.62 34710.55 34423.74 34427.12 35203.12 34426.28 34671.05 34802.22 Capsianoside I 10489.88 4358.19 4424.98 13225.57 4363.51 3729.85 9969.67 5664.37 7632.97 6652.86 19569.47 10820.76 3460.74 8247.5 8424.13 11868.38 22430.21 2028.7 26419.64 9177.88 5593.1 615.94 4984.75 10012.89 3255.01 4231.87 3955.33 8389.81 12358.66 9334.63 8404.28 13453.08 6235.39 6664.4 9424.73 5605.22 6523.84 1245.66 11802.92 8418.27 5532.11 6389.01 9517.93 9958.78 8700.09 7203.83 8712.74 6647.11 5853.96 18497.22 1121.26 4390.52 5961.46 12546.65 4858.11 2434 3594.03 6762.63 4967.13 2025.02 11018.99 1642.34 6593.88 12612.85 26557.04 6447.58 5722.68 9216.64 20574.26 5500.48 9061.96 17536.63 18635.37 14272.76 7877.9 9007.7 9356.2 9341.75 9053.18 9328.87 9191.53 10488.09 9038.05 9195.83 Cilostazol 12351.92 13837.15 9068.23 21013.95 20664.77 32935.77 10457.69 19220.86 19985.64 14174.6 17569.44 21557 21558 19020.1 24350.15 21064.85 14408 27431.67 21615.08 12318.4 13333.09 14346.78 10726.71 10257.59 11687.47 10960.6 6445.71 10003.06 23032.37 16223.65 14865.95 12387.71 6710.21 10825.63 11035.76 17498.4 12593.73 5063.42 11915.32 7219.16 26211.2 16736 14222.64 21211.72 22347.53 25215.75 32862.25 15068.39 12738.13 18501.72 7230.16 17228.56 13569.05 22152.14 15370.98 19337.35 9352.81 14660.64 14869.48 15642.13 12873.47 15236.94 17777.69 18977.93 18719.18 15280.59 19500.13 16095.95 22074.25 10708.77 13170.08 19468.18 15533.21 25817.67 19747.29 19226.08 19597.97 19988.45 19623.34 19228.07 19251.96 19255 19227.6 19466.53 Trilostane 12448.94 8277.67 7571.42 11623.25 9696.87 4392.85 8895.39 9736.9 8732.7 10268.69 9648.76 10711.94 10783.87 12795.16 11283.51 8856.77 13633.93 12828.66 9921.37 9989.89 6029.75 8725.89 6698.25 8858.55 7910.77 7510.87 7294.1 7799.86 10164.32 8007.43 6583.05 7201.23 8955.9 6647.67 10563.3 7085.07 8336.11 7182.95 8031.15 8704.74 10202.37 8402.58 8508.53 14545.4 9760.34 9512.36 9417.46 8931.36 7716.28 7415 8719.13 10076.4 8564.76 8385.97 9614.15 9140.26 10530.79 13023.17 10708.32 14852.34 13450.98 11925.02 10566.12 11487.35 12654.83 12344.42 10887.42 13145.97 13127.01 9429.37 9787.96 14470.24 14995.74 11731.27 10406.92 9662.67 9341.75 9830.45 10262.2 9837.05 9693.24 9672.79 9747.05 9833.74 L-cystine 10858.01 8624.98 6018.31 8267.04 13470.66 11409.93 9182.22 15314.41 16591.73 5852.05 12657.74 12837 3400.26 9784.51 10258.04 14967.13 7814.41 17719 13768.93 22392.69 4750.18 9008.8 7623.43 4684.43 4302.44 1785.42 956.01 5167.75 9507.27 2899.1 5038.32 14316.08 7277.66 6220.09 4438.52 5997.53 6856.14 1994.84 7565.17 1152.74 13148.73 13510.97 9208.16 8872.97 15940.53 9899.89 17647.3 13549 8999.48 22340.57 8046.02 10774.44 10615.11 8966.28 4254.4 7675.52 6798.2 6747.41 7581.2 9901.26 7593.51 7859.05 9164.59 7585.73 10630.83 9980.01 16371.74 10632.58 10093.51 10995.57 11081.81 9460.3 9452.45 2727.34 7016.62 10845 11060.93 10661.62 11002.62 10845.86 10850.24 10973.96 11099.37 10840.75 Caftaric acid 1436.76 1825.69 3760.89 3323.57 1076.91 1315.75 811.72 2334.54 1090.73 7725.45 1127.83 7685.67 3800.82 3394.8 2740.09 4882.09 4241.37 3983.33 5295.28 2293.78 2624.14 20918.92 1217.3 1752.85 7810.07 1108.83 1530 1688.72 8912.11 2413.57 2611.47 5448.54 1866.97 1833.43 2261.98 10818.35 6821.71 776.96 10806.68 1721.53 10704.24 2859.52 1559.78 1779.49 2190.8 2483.27 2829.09 2721.22 3310.72 782.85 3355.02 4208.72 7569.25 1672.64 10417.52 2625.9 853.19 4201.59 2022.35 1601.13 3773.68 1298.59 3939.63 4226.41 4810.78 10384.07 2524.36 5972.12 5128.67 6759.58 799.68 1736.69 1112.24 3473.91 1497.57 4373.65 1535.38 2879.94 3238.55 3880.32 2489.75 3773.22 5051.06 4824.66 2447.25 5800.0 4410.68 8817.33 5677.95 8645.58 6626.73 3750.11 7300.85 3067.07 3325.12 1575.79 3149.69 1811.05 1567.9 2858.15 2159.16 2180.59 2180.96 2501.45 2221.34 2389.1 2380.63 Diethylstilbestrol 8652.82 15208.52 1710.72 64043.8 7026.88 26065.12 78483.95 3247.42 6733.76 10318.02 1985.23 21915.93 130028.15 9273.84 16798.19 39531.45 21289.76 8630.24 10486.35 12040.25 4451.13 3898.23 2443.02 4677.62 3396.67 574.79 2085.81 2892.54 7145.98 5371.16 3109.76 6456.69 1024.91 26161.83 4632.74 1894.64 833.96 2490.08 1592.12 3460.2 14745.99 23083.31 3176.96 7167.89 8684.36 57792.42 7091.71 2824.74 2298.36 12894.8 15367.91 7240.91 4054.09 4756.93 6199.64 5405.67 3379.88 9533.12 5723.26 11965.59 4794.44 1805.99 12222.3 6912.79 7736.51 10255.71 7038.22 2860.73 4164.85 2674.12 5483.15 7977.13 2800.49 32573.57 21130.9 10397.71 10259.22 9990.99 9626.59 7300 10234.81 10572.92 9820.73 9123.1 1-Aminocyclohexanoic acid 101554.87 103028.99 104827.98 30284.62 59211.76 18940.27 32529.33 79084.71 81981.21 116699.07 99633.46 83698.2 65937.09 109320.55 76094.78 82290.72 110181.84 76932.34 90601.08 61350.89 128871.71 71697.25 188857.26 201944.88 179727.88 148562.72 226544.62 200579.19 118853.22 176867.8 143650.06 120472.68 175054 121215 206042.52 177915.74 144380.23 150648.29 147354.81 232212.63 77993.26 101357.24 169624.46 147641.4 70043.44 46908.67 90415.9 125062.68 167906.72 84489.17 141293.15 99673.92 146493.27 119993.07 121928.6 111287.01 117736.38 100095.39 97868.74 54650.69 160576.46 118928.74 111752.27 134114.46 114103.6 91727.98 71288.79 129663.89 118096.84 86479.74 81324.73 99850.1 92099.67 86093.42 81861.38 117583.73 179800.88 120299.67 112203.63 107641.13 115440.39 114811.58 114684.49 107066.41 182790.78 145337.37 121588.47 118194.65 122585.73 182586.27 181363.91 119506.55 116658.02 121983.47 121039.34 130834.4 130218.77 113534.57 129370.27 116132.32 62636.68 63262.32 63015.24 62618.52 63275.13 62619.01 61696.68 65388.54 63268.39 3-(4-Hydroxyphenyl)-1-propanol 5188.17 4421.35 2686.41 4905.08 7747.61 12303.32 7594.86 7807.93 13840.23 8193.23 5675.21 9946.28 11332.68 4793.58 7841.59 6750.49 5639.45 6642.86 10152.21 6676.94 3932.59 2314.17 3574.45 3130.92 3622.88 1762.13 2438.08 3219.34 6069.6 2515.79 3833.92 4770.81 2176.69 4660.18 3076.07 3100.52 2668.16 1406.24 4757.16 1887.76 4001.68 7788.26 7055.71 4240.89 8774.72 11245.95 4689.15 7571.72 2927.63 10594.28 5659.6 9177.02 6378.34 4686.5 3212.94 4872.95 2781.15 2536.75 2777.46 3357.63 3816.71 6693.8 5878.71 7398.77 5263.86 10354.87 3217.85 7861.01 6293.9 6626.28 5877.42 8379.17 5823.67 4582.47 6766.84 4191.68 5823.34 5784.27 5442.76 3744.07 5411.17 5783.89 5983.97 5784.36 Gliclazide 26830.35 51356.25 39595.95 35244.05 18272.01 13041.54 21037.8 24046.33 14716.07 46966.26 41069 34367.06 33325.35 46907.3 36531.38 34389.26 37485.9 30188.56 41896.72 7060.19 9734.59 1419.11 55915.98 56316.13 46698.36 34633.55 76046.05 62452.31 43602.24 1602.59 15210.08 34874.66 39788.66 33390.83 36688.24 53516.51 48314.08 28837 58656.6 75590.47 7616.96 24359.93 55939.39 52929.39 21597.21 34560.42 25387.76 69134.7 45887.6 30467.05 30261.89 48635.82 46674.89 43593.08 33883.4 51852.65 48651.7 66516.18 29045.49 42518.42 52773.53 60249.66 37266.13 33279.92 55007.63 33563.44 20326.48 57104.4 53860.87 28644.99 28964.19 61438.88 43694.09 51533.58 48200.17 3945.31 2482.52 3675.16 3596.96 3769.22 3595.09 4010.31 3054.91 3692.95 2980.06 3065.02 3631.8 3221.31 3179.81 3420.95 3363.26 3155.23 3393.65 3043.81 3552.21 4221.49 3406.53 3838.18 3524.0 1952.88 35701.46 35589.71 35466.5 35701.74 35463.68 35771.62 35464.92 35702.9 35464.75 Astragaloside IV 2490.4 4507.88 2830.82 5302.94 10742.29 4545.88 5713.94 6071.94 3713.04 6476.04 6379.51 11533.87 12265.3 11047.56 3370.5 7855.94 3582.8 10374.88 10120.52 5011.95 3722.21 4827.37 5754.65 4971.04 6148.57 5299.37 4077.81 2700.93 1699.09 2928.09 1370.54 13688.38 4094.87 5501.91 4514.79 3120.4 3455.99 1911.96 3910.15 3106.73 5542.27 6749.37 7025.08 4378.38 11329.26 8645.56 1791.42 5089 8666.42 7955.85 11078.73 10802.92 9441.67 6594.27 12058.29 7506 3440.88 4022.63 9106.97 4415.52 8776.24 9303.55 11768.76 8399.62 2357.73 13906.25 2069.77 7743.55 4184.56 5602.85 822.25 6360.19 3650.79 5134.65 5385.44 7057.33 7204.94 7219.73 7552.96 7227.45 7212.44 7408.88 7372.27 6457.87 TxB3 19367.54 12913.1 8116.74 12745.96 10131.5 30335.23 15006.64 19336.67 21493.59 16705.9 37270.09 24163.22 16618.06 16475.39 24729.06 13262.99 9162.15 14391.79 15947.87 9295.3 17861.13 12631.21 12225.96 12071.51 16725.14 17037.49 8022.32 11158.26 20471.21 9784.65 13791.18 11074.8 12704.35 10179.74 9471.32 14999.53 14890.33 6399.82 11749.36 6894.76 20564.85 31776.44 16275.31 15989.11 23325.59 34022.05 19375.21 17050.67 6859.15 8955.44 23475.76 30874.27 12561.79 14806.41 34972.48 20163.29 4674.34 9025.88 15755.54 31152.72 12563.69 11982.23 25462.16 6373.53 11366.76 28201.05 25652.66 8157.54 12806.12 21259.7 31521.75 18965.55 17482.93 18297.39 15615.53 24711.1 21189.7 24141.83 24560.56 24555.87 24387.67 23919.63 20808.62 24452.66 Gamma-Mercholic Acid 35252.71 10465.71 45928.04 22633.7 97205.96 7544.95 635.29 85545.15 29327.21 27130.57 42724.14 22424.61 36781.43 15293.71 19633.1 61794.89 41137.05 17150.74 11894.31 43399.74 69930.25 14083.84 47154.96 26965.67 47695.78 14349.91 8404.8 21066.16 71172.46 44522.3 25843.48 73951.67 49285.81 45531.97 29876.17 41308.72 40651.56 2499.76 33998.54 8857.12 6080.21 23048.94 38796.07 8215.33 55535.45 19879.34 13511.69 19493.98 22312.49 29651.75 44082.36 12497.04 125438.79 29791.38 67145.78 9469.01 28839.47 14764.65 85440.01 9271.56 60995.28 38632.67 42307.96 79988.44 48610.06 19313.02 18951.3 26355.49 14437.88 75537.25 12370.48 33480.1 43872 24602.06 27926.88 41059.05 40915.09 42444.95 43070.84 40825.29 31207.42 40681.27 42495.37 42512.59 Daidzin 18000.7 12611.16 453.5 3665.51 17424.53 2863.94 912.07 21078.51 20512.22 11311.19 6265.96 9701.46 538.56 7344.72 32764.06 13454.69 10457.39 36797.42 22697.27 60567.95 11714.52 1754.19 1883.29 2640.31 10017.46 6936.62 3553.59 4757.57 20330.03 1921.58 14899.19 4571.88 9332 3276.08 770.07 8816.64 16480.44 1122.83 6197.87 5317.78 18885.72 13351.8 1682.8 5388.71 14238.64 1096.68 32178.27 15389.22 8415.4 29766.88 3029.47 1758.24 636.78 4651.53 14366.09 10733.34 1512.78 629.88 24532.14 1977.4 2794.86 1870.08 11961.41 10780.13 17118.64 15091.24 22542.86 15100.35 13922.39 22618.02 33398.97 9972.85 19945.53 2589.02 9801.53 144563.6 85623.73 98908.32 44887.72 64773.56 142133.35 99563.59 52705.83 104519.06 280087.42 54904.1 183711.18 160998.66 143651.12 31317.76 117408.49 140181.63 198766.16 170093.28 26583.17 174041.88 199007.03 59956.82 90775.09 109347.06 13509.24 12754.56 13377.53 13499.67 13581.58 12745.55 14817.31 13551.21 12869.82 Alternariol 4468.03 4377.96 5902.8 5659.61 4447.05 4825.39 3596.48 3891.84 4222.51 6098.46 7091.32 6631.25 6005.43 7037.68 4432.64 6448.51 4375.87 4605.82 7425.52 4999.47 5504.52 595.79 7493.47 6370.68 5201.62 3831.49 7981.45 8508.3 4162.45 6902.85 5580.57 4934 5204.78 6506.43 7550.2 6184.44 4808.45 5040.7 7555.42 8465.94 2289.06 4674.96 7481.32 7877.97 5381.31 5633.19 3599.36 7220.12 7072.18 6343.65 3406.23 4704.18 7998.11 7249.36 4807.73 3855.36 7586.87 7072.27 5887.06 6187.99 7714.75 5778.16 4915.73 7493.48 7978.45 4062.28 3927.19 7941 7756.41 4911.11 6493.08 7609.84 7032.46 7127.64 7081.36 5097.62 5390.65 5091.37 5099.31 5251.23 5086.71 5249.85 4143.08 5249.65 Azukisaponin I 353.75 243.44 189.9 2747.19 9447.93 20411.01 9049.56 201.9 226.17 273.38 30.4 114.7 1921.75 131.79 339.01 1072.39 140.3 393.22 565.85 197.27 210.75 62.31 124.05 37.86 32.02 77.41 112.55 138.49 348.15 154.56 30.16 517.98 121.58 275.71 33.77 32.71 36.52 85.2 67.42 99.53 12771.54 330.13 192.76 79.19 321.97 1363.94 158.79 39.18 153.25 85.81 44.13 153.93 217.42 36.12 252.05 124.39 274.5 152.16 1255.28 708.75 35.39 60.61 283.06 500.36 165.69 197.38 44.69 44.44 33 145.72 208.22 253.95 80.71 400.91 508.96 3380.62 3500.96 3354.42 3725.01 3475.95 3327.96 3493.2 3404.19 3127.5 Naringin 8841.94 2173.72 797.54 1862.74 5633.34 551.19 246.56 4458.08 717.37 2627.98 2600.78 2659.94 1543.84 1843.65 11607.16 6243.98 4546.91 4480.65 358.8 3260.78 3065.05 1277 1133.65 1205.09 3851.57 5910.52 2258.16 570.63 6462.51 387.53 1459.78 3734.16 3809.76 1333.85 1152.89 2946.09 2004.55 777.73 1711.46 1007.2 521.64 2783.77 1483.53 1601.96 2999.63 2021.68 11887.48 3768.28 1045.47 778.13 7026.89 2804.94 1967.09 2373.6 7599.17 2568.39 1504.71 1508.54 6439.26 2423.26 333.92 241.97 5607.68 2614.93 4984.17 8418.88 2112.55 1861.41 601.26 8457.39 3742.99 3355.7 2506.27 2378.37 2548.71 5934.59 5948.6 5931.82 5916.67 3708.21 5703.51 6168.13 5626.13 5519.64 Dronedarone 12875.02 18595.07 35490.92 23183.45 2102.24 5817.82 4516.13 11623.01 11256.59 31562.3 19206.4 15072.71 26553.97 39765.04 6698.73 25122.16 26154.76 12443.39 37687.24 2156.58 23734.1 28759.91 41636.59 35414.69 26167.36 21913.55 41566.05 17717.74 4643.85 19372.02 10027.92 32522.41 24292.58 40975.87 39261.43 20473.52 20310.49 22385.32 21587.5 27637.95 2013.12 16657.78 30314.56 24823.53 3297.09 22989.83 12026.54 24627.64 36144.19 4492.69 34023 27067.05 42607.75 27513.4 28809.53 17770.66 41892.79 38739.06 18712.31 23012.28 40004.62 48417.43 33547.03 41310.79 27446.61 32326.65 12329.35 32185.21 28127.53 15645.01 2379.56 26482.61 20006.68 25438.93 12389.63 4841.35 4033.33 9202.63 11247.43 7517.53 4667.92 11729.13 3977.95 4915.33 11184.64 9643.6 3222.88 14910.07 2719.11 2898.67 7373.51 5654.54 13775.06 10525.24 5588.68 8336.24 7465.27 4934.11 7960.5 5738.96 11356.82 10410.95 12794 11960.89 13577.38 12960.06 11784.07 12942.35 12799.71 Aleuritic acid 5977.69 5523.51 4376.47 10504.93 16796.79 18780.37 7589.96 9008.07 3540.17 8079.8 6010.01 7209.47 11076.97 4607.94 5229.15 5571.6 6461.43 2920.1 4373.82 1298.08 4722.6 8992.27 4766.47 2109.3 4125.48 3153.14 653.2 1772.29 6973.96 748.44 924.87 4939.96 3999.94 4264.16 3670.61 2338.42 4736.53 1789.21 6757.69 2667.11 7473.1 12959.34 5269.83 3947.89 7993.63 13545.45 2181.29 1616.49 2527.82 4391.46 8119.49 8370.54 5915.44 4364.75 9570.4 3939.43 2723.63 3311.9 5829.51 6485.79 4459.36 9265.94 5975.52 4745.01 4228.94 9491.95 2938.75 2449.23 2019.25 4248.52 2097.69 5736.7 5102.19 6399.35 6177.31 9906.23 9992.08 10050.56 10126.57 10206.84 10056.68 10128.08 10132.34 10012.99 Ethyl salicylate 242913.47 158593.59 51177.92 79493.12 248493.01 215557.03 145610.76 299552.12 323999.71 234124.25 167142.47 259233.08 146705.16 159553.08 270096.45 229092.42 151606.96 293101.61 258135.15 385610.58 236835.74 119488.61 77958.09 82154.47 225658.42 175610.53 100347.22 168204.92 273297.03 195694.82 228098.95 197108.83 177955 75522.49 64997.21 237737.9 235688.85 56207.31 132217.98 111382.59 335127.96 344182.86 106937.54 137365.15 301408.89 176804.14 349797.5 187310.92 212601.97 300635.84 218428.55 151387.49 102807.79 130152.15 232352.82 170505.5 44981.98 59246.65 279731.81 67456.71 97792.48 88642.42 169905.11 133661.25 205085.12 271791.15 251656.95 221920.01 227933.36 281723.56 316898.11 215682.36 246235.72 179386.02 168746 253970.76 256640.89 255884.29 255566.73 256551.63 259785.66 256324.61 255210.68 255649.29 Phloretin 21797.35 29258.04 10456.59 14731.05 23916.57 8947.83 20522.4 35841.62 28838.9 21508.81 28240.97 39680.94 24063.13 20833.57 22948.11 33264.78 25310.84 33483.89 32331.46 28889.22 27745.79 4326.94 14062.51 12409.9 20397.15 12127.18 10119.19 16183.51 29196.16 29012.89 17331 27875.32 9130.06 11285.18 9700.32 23275.19 24670.15 845.02 17063.63 12353.36 32300.1 39486.3 24213.35 20993.54 36566.41 17441.12 41208.05 18984.56 17885.93 34326.72 18512.48 9315.21 18564.14 21110.51 20924.75 6946.83 7918.56 9261.27 27614.57 4781.08 16580.74 15170.01 8026.93 22602.3 23700.76 31421.25 27553.9 27958.56 26852.52 26261.66 19313.74 27768.19 30746.92 25019.75 21653.43 29157.92 29092.6 28645.85 29809.12 29103.09 29088.97 28832.89 28761.13 29168.11 Donepezil 32862.62 32509.28 9186.4 27550.85 22442.34 94579.22 5726.09 42177.65 29463.13 31635.28 50755.83 125241.82 77075.47 53423.13 51095.22 43972.88 34740.84 61607.14 168747.77 122232.45 11765.05 9360.93 25979.43 8273.56 27049.5 8741.09 1451.15 9933.73 84221.81 30238.01 98096.59 80199.49 10138.5 9168.82 9589.83 52364.57 5761.07 3255.64 25615.03 4754.57 155434.57 84761.67 42529.18 28121.79 116375.7 76770.28 56802.51 20942.89 59190.54 106225.08 73306.53 50095.94 53335.68 50920.39 27022 31737.18 6920.89 13004.4 15779.68 9952.15 12385.3 4331.99 36645.7 17666.33 30928.13 69416.27 188101.67 25160.47 30341.71 14296.08 58595.35 20772.65 26410.22 38135.52 33931.39 63921.05 68106.07 64277.49 62195.84 64378.35 61029.18 63870.78 60883.64 62387.63 Pinacidil 5679.92 9006.19 2827.22 8619.66 6406.58 2127.3 4672.09 7358.67 3214.61 3847.72 4378.39 7174.58 17424.79 12976.76 11790.54 6787.42 8119.89 20195.5 12993.45 2595.44 2679.65 1322.53 2681.43 4473.55 4236.48 5079.38 2704.52 2309.78 3138.83 407.82 3433.05 20704.48 1202.31 997.06 3229.44 9891.31 4333.34 1867.37 1205.42 4038.87 4674.74 15140.02 9258.53 8283.08 10377.62 11221.56 9688.56 6366.18 964.65 9466.77 4167.71 10557.21 7122.96 8112.58 17549.9 22048.17 3347.78 5466.71 5641.28 2677.89 9236.62 4601.29 8266.02 6446.17 4199.75 21027.43 7440.28 8836.2 10319.06 5922.35 3348.65 7334.45 4376.57 6033.87 9159.16 8541.47 8310 8419.7 8416.01 8302.13 8417.31 8297.62 7897.3 8297.92 3-Hydroxyhexadecanoic acid 859.24 158.1 531.4 4547.63 16769.1 28341.24 3934.93 474.18 99.07 823.65 396.7 455.21 3084.6 388.2 230.85 154.48 183.54 87.61 790.31 100.47 364.61 449.03 727.71 605.14 165.55 77.81 248.03 213.85 2322.5 141.98 129.82 206.1 215.34 356.55 253.93 121.52 241.14 141.49 720.11 685.22 6500.71 920.3 224.9 269.33 970.26 3730.02 399.31 198.23 208.49 154.99 702.3 676.61 232.64 318.45 1502.37 829.08 311.25 90.53 683.38 585.99 604.64 1335.7 602.7 199.31 122.12 782.5 266.33 317.42 161.5 109.56 158.97 525.93 403.97 253.66 457.51 2948.36 3483.26 3552.2 3326.58 3570.35 3554.66 3564.45 3566.12 3430.53 Dodecyl sulfate 25768.13 24299.72 5220.1 118638.87 17617.74 25106.64 126633.72 8215.41 7671.71 30600.22 6802.6 45971.71 247535.38 18983.52 37433.78 71659.35 31599.49 22109.48 25675.25 28763.19 9743.62 933.06 3999.06 10238.56 6499.18 5736.19 4010.89 5101.29 18777.48 13510.44 5543.26 16903.82 5022.26 40635.95 9712.05 4672.63 1706.67 2292.45 3914.66 4978.02 24835.26 37121.36 6721.06 16749.29 18491.57 258178.74 15764.23 10421.24 5468.44 42754.56 28659.72 21029.68 14117.48 13742.14 5072.19 18325.84 6548.52 16422.83 14349.09 24701.31 12555.27 6307.36 31380.9 12529.68 21233.69 26322.83 25737.69 8617 9151.85 9756.58 8122.79 26498.81 9765.48 38886.23 35113.73 2811.45 3126.62 3255.69 5431.11 4573.73 3702.85 3768.95 3725.3 5078.02 3540.66 3452.8 4227.49 3182.94 3421.72 3971.95 3565.76 3659.54 2259.95 2672.99 1904.7 3968.3 5095.81 2861.33 3306.07 1729.1 17342.36 19720.9 20730.46 17271.43 14292.34 20018.95 19762.01 20701.76 18489.18 Cys-Tyr 10974.5 8375.92 10763.17 14795.22 16959.79 6163.25 13018.19 13528.14 16360.99 17110.13 17613.83 8594.62 7840.62 7648.87 16174.68 11739.49 19934.15 15334.05 7468.37 11978.57 6116.98 18274.65 10537.57 1048.05 7982.08 6931.79 7134.99 7307.29 3930.76 11880.2 1110.65 5494.39 9059.88 8009.66 6674.4 5510.51 10127.46 1397.05 12457.55 8558.21 9525.12 7830.1 15699.37 14062.42 11885.69 12496.97 6800.27 12915.8 10444.34 1352.47 8697.34 6681.22 12517.83 12899.04 13947.03 10257.68 7663.73 12291.31 12124.6 14682.76 14438.84 11764.37 16028.04 16004.24 15106.72 10451.76 12848.71 13607.85 9439.98 11439.88 16926.9 14709.71 14025.43 16869.09 15210.14 25005.19 33489.1 37877.8 23887.22 43307.33 18440.22 29403.04 19106.93 42852.44 29629.09 28800.52 20461.27 37757.93 20419.43 17308.56 45929.68 25316.91 31417.95 29150.32 14649.91 40004.49 58264.82 30112.5 50426.17 22841.61 13863.31 12733.02 13854.94 14560.17 14511.36 13164.06 13052.28 8744.44 13058.92 leukotriene E4 8190.41 2975.28 1995.86 3591.09 2467.33 1802.98 686.13 8322.42 4753.61 9397.78 4875.99 8617.89 5591.59 3956.45 8721.48 4109.97 4148.01 7400.57 6809.48 8002.35 9047.92 5785.71 736.63 1419.56 6483.4 5246.95 1611.12 3503.05 5025.74 6356.03 3946.77 9621.68 3765.91 4570.24 2032.01 5222.47 4237.3 2226.6 3706.61 2463.65 2575.43 7263.54 2972.64 4881.93 12616.77 3598.67 8726.49 3462.64 4288.2 8715.14 7199.76 6818.46 3131.21 1534.79 4496.09 6814.84 2931.62 2300.08 8014.43 1206.83 4481.25 1608.18 5642.24 5704.93 3606.06 12710.04 6697.61 8604.81 6288.15 13617.8 6093.99 7024.92 3752.17 2988.6 3987.74 7152.37 6809.63 7046.79 6286.58 7159.13 7200.92 7169.73 7128.98 7125.95 3-Nitrotyrosine 296.44 1362.82 6952.82 3359.37 132.56 44647.3 1971.85 526.53 577.66 1206.32 797.13 338.63 1377.6 410.18 1508.12 981.22 1599.29 857.95 395.19 636.88 487.62 34733.68 359.45 294.02 274.65 463.16 152.75 168.1 448.62 106.85 485.89 221.21 494.68 2079.41 285.72 199.6 259 17330.66 445.5 219.51 354.08 124.32 455.75 836.02 677.95 123.05 316.99 1095.99 282.03 404.92 424.76 1097.95 571.69 476.06 1290.96 627.46 14342.52 17177.96 416.64 41455.22 1602.64 1579.47 930.32 1333.16 1140.78 651.63 935.06 857.94 474.36 455.37 746.83 668.3 951.01 3272.1 579.36 10336.6 10319.72 10319.57 10454.62 10410.94 10411.62 10411.29 9973.99 10317.2 Methazolamide 30465.47 31739.19 33092.2 43364.91 19394.07 26557.51 35992.42 29626.64 29574.02 35768.46 39315.29 28146.92 29985.06 38531.08 32012.74 31259.79 44416.09 26994.17 28714.08 27756.81 22117.23 25236.27 28929.71 31374.18 21319.67 20324.99 23339.82 27644.26 20125.69 36974.34 17305.75 19153.04 23875.65 24011.84 28502.26 22655.71 27505.36 12715.88 42764.33 28445.72 30493.12 20892.09 40640.08 48104.04 29670.27 36105.61 28080.14 32978.78 24368 26175.79 25290.05 32508.32 36805.42 32783.93 31358.12 30280.6 40501.87 47111.93 35072.66 41320.92 51123.9 48272.13 35774.6 43037.99 43477.09 27443.69 34302.08 38876.54 42367.01 30959.66 31285.36 35374.69 39218.06 39411.63 38140.61 32514.95 31167.64 32014.12 30811.21 30174.33 32279.02 31620.9 31908.18 32772.42 33599.55 32615.37 34704.04 35449.72 33564.64 32488.97 32449.82 35488.06 34163.54 32651.85 33871.19 33458.26 33742.64 34551.15 36784.87 33782.19 33030.84 32810.99 32815.49 32426.66 32688.91 32708.51 32812.88 31454.63 32814.98 Reserpine 4970.56 2186.6 1548.47 601.67 7262.91 4693.53 1323.93 619.28 842.22 5295.02 2224.18 1302.96 1625.17 2742.63 5202.43 1522.85 2032.34 7364.17 1237.05 2274.56 1669.31 1988.14 1302.74 759.95 2533.5 416.94 992.31 444.25 4854.88 788.04 2350.07 996.54 379.92 701.8 730.59 2660.94 3880.46 854.71 536.61 693.19 1106.07 933.72 3480.12 974.34 2998.04 791.17 964.55 1447.29 1658.55 3358.88 3909.65 7948.75 2530.35 937.32 3323.6 6213.04 1459.33 2688.09 5257.48 403.73 2299.02 1802.27 3917.05 631.8 409.24 4723.35 1106.85 690.95 1698.22 2735.96 602.6 2129.32 1419.88 3178.42 1680.72 4475.01 4351.45 4443.68 5803.11 3062.04 5240.19 6487.7 4694.13 4750.73 Cinnzeylanine 18150.33 18353.61 18567.52 17088.5 11953 6289.99 21185.84 29027.17 14631.58 28168.98 34859.8 34913.91 39945.1 42902.8 11550.29 22258.16 23039.54 6861.49 33001.95 1610.88 12587.19 12226.52 23118.12 19889.64 17368.81 15904.9 12730.74 24700.83 23607.1 1078.35 4776.7 8626.31 10614.53 19381.84 17176.35 21915.97 15265.91 4826.85 26964.96 23696.62 17300.35 21792.46 27364.6 25811.64 16141.6 33491.44 12040.11 28998.92 14232.07 15059.37 19839.45 15405.07 22261.64 30856.08 13693.23 4891.19 16738.99 7537.35 12483.16 6028.17 26341.92 20912.34 15062.6 25242.45 15866.86 12113.28 11266.49 39470.26 25907.79 20659.51 12946.53 26961.18 23325.14 15693.86 27665.97 15959.39 16860.82 16924.8 16211.04 16075.56 16057.4 17004.5 16886.01 16920.05 12-HOME 5769.49 6638.72 6082.36 45864.73 186224.72 86352.08 36695.85 8350.01 1766.83 8195.08 2000.35 13595.8 29238.83 5346.07 5888.15 23169.17 9857.25 3950.78 3247.16 1851.48 8183.54 6924.37 4539.73 10187.84 6759.41 1034.59 3140.13 5789.88 7839.65 3227.93 983.26 3734.79 791.85 1417.21 2147.26 4928.11 6405.04 620.66 5381.5 3954.44 47966.66 15378.15 6647.88 5241.11 8030.23 21665.12 6303.12 4528.28 1350.57 6925.66 5873.22 5915.84 5210.14 4126.27 31205.97 12535.56 4495.02 5791.1 7500.24 9644.55 13322.03 7956.31 6433.69 5742.45 3978.35 23753.76 2906.16 5603.8 7856.68 6814.16 1151.35 6253 671 15054.25 6195.86 619.91 1793.06 667.41 1129.95 892.73 1141.18 1300.75 6101.66 3718.48 771.3 1803.57 1024.29 1944.79 2537.87 841.89 3238.14 777.48 584.89 826.92 870.61 859.65 1175.81 1819.59 719.51 2089.76 16694.92 16995.82 16549.25 16695.73 16730.25 16619.86 16727.84 16620.08 16686.98 Salmeterol 2723.53 1011.58 1839.66 2308.51 1895.04 2925.59 4565.49 3255.87 1525.02 4167.98 2544.38 5935 14213.66 3969.29 976.99 5752.19 1375.17 825.42 5403.64 494.46 2250.61 1590.21 4717.52 1770.06 1355.63 1054.39 1663.09 810.71 2806.73 2161.87 642.05 1741.16 963.25 2258.7 1328.21 2028.27 2107.22 558.62 5320.27 763.95 998.55 2580.43 2305.22 3034.74 1857.71 2794.67 378.7 3141.04 3390.38 4469.08 2120.94 614.76 2744.61 2153.23 780.09 1084.66 2692.48 472.73 1683.18 836.37 2363.81 8816.46 1341.57 2250.12 1293.41 1451.5 815.55 7278.6 2340.98 1971.46 1203.42 3729.3 1576.58 2137.51 5895.12 3044.82 3015.35 2968.01 3025.87 2931.3 3005.59 2997.75 3026.43 3025.05 Josamycin 3727.45 1060.97 995.09 1363.66 5054.22 1091.16 837.18 7797.98 1400.64 497.23 1182.46 1490.81 3026.56 2560.34 8087.89 4489.68 894.12 13214.15 3878.52 2442.2 4474.23 390.51 971.48 662.35 12634.58 682.02 474.07 850.1 3763.69 1838.85 3697.03 3984.1 1234.39 600.98 858.19 6899.97 3492.4 571.14 1164.43 939.13 2182.59 6395.16 1259.13 395.03 4904.37 1688.71 1022.36 1461.7 2043.2 4753.24 8715.5 1855.37 327.08 955.26 11011.06 1121.83 1215.25 515.73 7962.41 513.51 1308.17 499.78 969.55 911.82 1327.39 8148.09 2192.59 455.31 1015.15 16400.68 2767.03 2160.98 277.09 625.75 1090.01 3056.85 3701.96 3064.99 4579.86 3292 3404.5 3705.87 3676.31 3449.09 Ibuprofen 59121.29 65272.69 96094.36 79919.65 40745.34 28994.24 22986.53 57183.89 39609.98 110094.69 127025.82 98225.74 107965.98 146110.4 62039.84 71218.05 120616.99 45519.35 105557.47 54313.51 41548.08 72723.27 134680.19 122689.55 61924.98 67564.44 99904.4 128412.41 67456.68 27420.5 28339.3 95767.31 44537.58 123815.96 116190.22 72070.44 72556.51 34870.21 145684.84 112549.3 52602.82 69710.22 134597.28 153203.62 49099.87 94343.93 48562.9 101684.93 110112.02 79022.01 71414.53 94258.78 141996.62 133399.34 60772.28 87770.13 109652.8 122347.7 47101.86 65875.72 127467.11 142728.11 63500.03 98908.88 82267.63 76275.27 25681.64 143229.94 129542.49 50599.96 45145.57 152181.52 108522.15 115071.7 129490.27 65072.32 64852.96 65473.73 63254.85 65069.33 65375.74 66035.52 67002.24 65537.54 6-keto-PGF1α 2776.47 2757.91 2636.07 85415.2 95395.92 127949.92 120541.21 1932.88 5105.4 4876.56 2340.54 3004.08 97494.47 2252.69 6072.07 1122.49 5860.74 3451.33 1037.64 2658.31 838.99 2231.18 777.09 2769.84 5946.67 1460.82 2426.43 2293.57 2893.31 2662.63 10928.41 3503.45 782.29 7634.62 1565.14 7281.12 2663.26 6972 982.91 3727.25 1966.61 8823.12 1382.48 1973.21 1772.82 96010.68 5143.18 7920.11 5890.74 5973.96 1129.91 2471.96 3401.1 3887.14 18641.33 16494.52 584.42 801.15 6778.08 4247.62 2806.14 2992.46 4235.75 4544.06 2973.2 875.02 4987.76 2420.77 2436.42 1183.72 4225.13 7228.87 3519.9 3463.61 1636.59 3201.56 3280.06 3205.04 1367.31 3040.21 3493.36 3086.3 3274.21 3055.41 Ofloxacin 9341.87 8530.83 4563.35 6402.79 11066.91 19971.97 11302.41 9151.21 13501.69 12882.31 7181.11 10261.16 9031.48 7515.32 7626.9 10800.9 9489.96 12058.63 15853 18737.13 6821.84 6178.44 8844.5 3409.5 6470.94 6292.51 5436.41 4925.56 16140.18 839.08 5319.84 6283.57 7821.45 5606.18 3130.19 9639.63 7742.6 4305.95 7374.04 2972.94 13329.48 12292.56 7953.29 6596.21 18199.27 12187.97 22962.07 5762.96 6430.39 11258.05 8227.91 12796.74 6713.62 4707.61 8086.88 10110.23 1499.69 8458.82 12645.57 6900.55 3861.75 6892.69 8791.81 6914.91 8524.07 15139.21 15060.57 11161.42 5589.13 9833.66 14774.78 11265.47 9340.63 12003.26 8206.86 11717.73 11520.25 8906.11 11518.18 11143.26 11828.52 10936.99 11468.47 11111.95 Ozagrel 16253.2 18078.84 16093.53 25504.55 22462.07 27390.56 24567.34 22174.7 18640.46 24929.51 21408.08 22746.87 24411.09 26549.83 26241.42 26994.01 27137.38 34122.98 29290.15 26831.44 13265 12604.03 13921.45 11991.78 12140.4 14090.09 10704.47 12532.03 11833.92 15779.77 16651.87 22942.23 17019.27 11079.62 14490.85 13232.29 13062.92 11193.41 16181.17 12881.81 23499.74 25764.5 17855.69 19577.68 35982.64 28476.45 27118.88 19592.05 17381.83 32992.56 23513.01 22588.57 19581.95 15821.16 23197.8 26889.54 19861.11 18773.81 21251.04 23773.3 19491.01 23515.19 24754.4 23828.87 17584.85 22716.88 37530.94 21116.39 26403.31 23682.83 21870.65 27026.02 21991.19 23207.68 23659.82 26661.33 26632.44 25825.54 26302.9 26906.96 26646.51 26340.53 26324.28 26315.54 Quercitrin 3029.82 3635.49 4141.59 4244.46 1600.36 1564.03 1060.04 2617.1 11890.4 2093.35 2627.05 2321.83 3750.69 6130.14 4274.61 2287.58 1654.32 827.41 3979.91 26144.19 784.03 2981.11 3873.55 4805.53 3889.59 1442.43 7233.61 5798.41 6945.44 1715.49 1306.44 5464.08 2532.48 3662.6 5012.02 3286.72 1459.22 1365.64 4470.24 4119.35 1759.92 6118.56 2809.85 2188.02 1401.51 1588.44 2192.74 6996.56 4460.4 2340.93 2068 1766.93 5057.32 6490.42 2377.61 2920.14 832.91 2697.51 6366.32 2407.33 8541.63 7243.51 5334.25 2599.98 2824.69 2213.88 1328.71 2683.39 5010.47 10367.38 1067.82 4209.1 1571.49 3547.14 1166.16 2880.79 2928.59 2248.67 2849.65 2581.08 2637.05 2906.98 2686.77 3017.84 Cortexolone 37290.38 43181.48 83246.71 116202.79 41053.84 66666.74 140612.07 39500.97 39345.68 85545.02 143523.64 157176.69 189704.65 115364.38 45672.11 130325.73 102181.34 36009.65 172999.68 44359.05 40742.93 38190.59 116277.61 90612.43 29742.44 32036.5 62832.26 104474.02 31328.34 92701.43 27762.4 136072.48 27302.82 91672.54 72647.29 28000.36 36818.39 13893.08 110541.75 59199.21 51523.45 62629.01 129882.25 108509.1 45580.85 145104.69 35830.48 116821.49 84918.05 128790.26 34812.83 57364.76 130164.32 154622.81 47414.32 42996.73 69964.81 72432.76 39136.91 43386.67 111582.96 127112.78 43010.77 130296.95 106495.62 48019.31 59567.84 140478.33 114967.48 49378.95 37252.58 106132.33 97337.92 124257.67 165415.64 82409.05 83824.3 83879.4 83538.17 84215.56 82331.18 82443.26 81814.93 84179.57 Pravastatin 1391.64 499.27 132.65 7739.02 26275.17 30175.49 19662.47 974.83 1321.86 262.3 220.7 386.64 4177.71 402.7 113.17 1431.38 699.84 1065.1 484.92 1264.86 465.12 316.16 371.77 121.29 141.14 322.86 193.21 130.92 612.59 551.29 109.95 371.8 838.22 165.79 324.16 138.81 135.77 146.03 226.15 422.37 9143.65 970.44 148.82 221.78 3494.99 3253.18 199.82 413.98 398.53 822.12 431.78 676.73 94.59 570.36 940.64 625.8 611.17 320.14 511.18 1648.62 117.06 688.48 283.23 905.69 216.78 216.57 1199.98 381.44 166.64 402.9 636.01 783.54 102.5 877.29 225.77 3020.2 2772.05 2167.96 2817.7 2484.24 3115.45 3103.4 2785.86 3111.69 Hesperidin 721935.1 358864.19 13117.1 47672.56 672266.7 369456.46 174420.16 1196379.2 1280350.36 300930.25 257032.23 290119.89 25458.19 131344.85 955280.76 415705.61 199954.76 996456.12 380826.75 2070027.04 545126.81 55650.39 25417.31 45272.29 451015.93 238310.62 42944.27 125425.43 983075.88 157756.15 702565.87 198433.35 359807.99 19579.91 31573.36 364512.97 612147.26 24105.76 102929.4 88638.13 668045.3 671503.41 96533.63 113111.36 924952.69 81999.03 1576130.81 323425.73 110231.51 663955.44 268232.12 226281.65 82761.91 95309.33 550910.58 265134.12 19071.5 30874.74 858926.31 35310.24 76961.48 42306.12 354921.29 202076.25 485407.18 526410.44 854705.48 220377.89 445122.56 1009792.64 1230068.99 321070.26 592955.06 156109.5 219988.15 498709.65 504132.67 502897.66 498753.61 502839.26 501834.59 501460.18 480094.39 499965.75 S-(5-Adenosy)-L-Homocysteine 6070.22 1932.6 3811.06 14856.59 4583.32 617.08 7625.54 4311.47 1545.91 1412.07 5098.41 2877.5 6066.73 5544.42 4539.64 5041.93 3952.79 7911.35 556.84 2339.44 690.66 331.67 802.18 493.14 466.97 1674.73 301.38 565.6 354.43 829.49 651.45 483.61 1677.26 3033.61 2937.48 2104.39 3117.43 1129.94 8969.71 605.84 1828.31 1198.71 1697.49 6686.74 942.45 15737.68 7513.39 3363.7 1791.61 1594.33 1646.2 4758.07 4617.03 3338.91 7952.33 2319.07 5612.19 5400.46 3471.68 4974.01 5847.43 8559.67 8121.94 5529.93 591.07 7963.21 284.69 3713.6 4356.41 3776.55 6752.59 804.94 12731.72 10120.37 16990.39 7422.53 7678.91 7656.84 7353 7646.93 7580.43 7626.03 7616.24 7381.33 3-Hydroxybutyric acid 1948.99 2777.19 9791.25 12561.73 2054.95 34034.61 4847.44 3374.36 3659.03 3674.73 2640.54 2068.26 3146.07 1956.24 6093.75 3453.7 3237.18 4428.5 4664.1 5011.56 2168.16 11375.47 4795.97 1607.24 2107.3 1822.97 1145.89 1468.51 2947.23 1045.29 2137.59 2188.59 2600.38 15840 2889.42 2138.15 1796.64 8842.05 1686.85 1231.72 3910.44 2724.78 2487.95 2218.8 5242.13 2483.45 4851.85 5458.68 2227.63 3051.19 1366.68 5455.55 2420.65 1350.05 2831.24 3912.69 9912.1 10397.29 3010.83 24105.39 3648.99 19328.87 2630.94 3557.98 2928.73 3592.15 4328.23 3590.04 2071.9 3702.58 3421.3 5678.09 2336.05 4247.63 6471.88 10163.17 11204.61 10783.88 11231.17 11199.65 10292.82 11200.42 10942.28 10229.04 Prednisolone 50047.65 53375.8 3781.89 13717.19 78798.73 108072.52 70128.4 85401.56 87471.55 52509.81 64634.36 13476.55 34608.67 42605.29 85100.83 67852.59 36481 85283.2 79851.46 126809.99 52437.75 36593.23 25774.38 27682.18 39680.39 36753.78 17799.56 27806.32 60525.61 25097.28 49047.04 48818.72 32568.55 23925.71 22559.51 38578.24 49941.75 13865.26 31667.09 17454.17 88998.57 76530.62 36900.57 40944.37 98732.95 52060.32 90302.26 45157.91 24937.63 72425.15 45222.27 61032.97 37907.5 33040.68 55199.22 55442.26 14156.59 25482.66 73365.33 46707.84 39680.81 35253.9 55697.66 48275.11 44874.86 73469.64 103767.46 43534.6 46968.04 70404.78 69942.71 68510.97 50224.66 44294.79 56794.31 11476.8 10292.49 10414.14 58084.3 23861.82 19845.34 18139.44 10128.4 6995.13 23948.74 28336.24 7442.41 38573.97 11465.53 11777.01 26266.46 17343.38 41911.89 17167.95 17901.05 9571.23 26061.5 20837.27 15437.13 23868.01 65299.45 65315.81 66109.07 66100.59 65314.99 66007.27 65595.53 61594.47 66572.07 leukotriene D4 2960.26 3011.01 21500.38 8500.34 3377.57 1855.33 1583.47 2530.24 1230.65 939.3 968.45 4315.27 2626.12 3883.87 3099.22 2473.1 8723.97 1052.94 905.21 3376.85 962.74 13016.15 12281.93 11688.3 3245.24 3263.67 4554.82 1142.93 1544.47 913.74 1451.29 3063.07 822.45 4576.32 5564.32 2815.23 1804.13 1100.4 3782.11 2290.58 1699.21 3186 6970.59 9243.05 3343.24 1726.65 2541.57 3283.56 2449.65 5240.46 3178.68 9519.42 1073.6 1814.32 2652.78 14956.89 19036.83 15101.24 1417.53 4807.8 8384.95 7089.71 3444.88 1980.13 5381.99 1857.25 2041.06 5267.49 8701.37 2287.42 3710.2 4529.5 991.91 3890.73 4024.59 2297.73 1963.62 2083.44 2403.9 2634.68 2175.25 2305.71 1960.64 2360.44 N'-Hydroxy-4-methylbenzenecarboximidamide 14691.42 13350.54 6975.97 10514.66 17577.58 421782.52 52238.32 41540.07 18362.67 16414.56 13350.5 20324.28 20245.23 11408.27 19328.18 18173.33 11809.99 40215.18 14507.2 21552.95 14092.73 17666.9 9832.49 9117.69 11631.1 19066.11 7286.73 8908.83 17730.99 18023.03 12480.08 10860.86 8715.8 8868.68 7588.41 11638.62 11097.34 5153.23 11142.97 11081.09 26762.41 29562.91 11351.29 11516.34 26893.88 15492.76 19651.56 13639.36 7504 19895.79 20249.39 14704.54 16793.7 12122.62 38419 14179.21 6891.01 7945.54 20294.67 15706.22 10493.35 121265.49 48168.41 12529.81 12262.19 26279.63 25525.37 13480.36 11598.88 18964.19 20440.96 14469.96 11648.22 10429.05 16833.52 23772.03 24594.62 23073.17 28863.99 23395.32 23652.86 24591.53 23606.28 22262.25 Mercaptopurine 10305.08 8774.73 2424.84 2190.83 12258.62 5632.71 2480.06 13029.32 11510.11 5416 3131.77 4726.23 1536.92 3350.4 10561.53 2519.31 1720.63 9498.57 4065.06 14194.84 14013.02 6874.1 3007.92 4200.77 8937.89 7699.5 5198.19 4242.89 8039.63 4975.49 9988.51 6721.07 5386.08 4747.14 5193.32 9040.8 7955.5 2984.95 4167.91 2930.36 10300.66 17186.63 4133.77 2736.02 10550.15 4036.87 8294.78 9155.53 4645.36 7139.83 10996.36 7106.43 3407.45 7249.49 6385.3 5247.08 2426.66 729.6 8531.51 3790.65 2942.1 1309.35 7985.06 997.05 2550.87 5236.01 13399.13 1976.22 774.81 12301.32 8015.23 6323 3196.15 901.36 2751.62 6488.64 5691.78 6656.43 6616.3 6340.14 6648.91 6951.75 6650.88 6496.28 Nitrofurantoin 1274.7 1070.79 1103.62 9633.38 11026.93 12553.18 22867.72 249.13 1501.32 1241.4 802.33 1987.75 13117.51 622.85 1958.75 2295.99 200.63 2362.71 2365.53 520.29 1058.42 1393.8 783.77 895.43 840.57 694.78 709.04 971.6 1718.03 3340.73 686.62 1477.88 947.44 2150.57 1018.2 1083.19 211.79 704.95 1301.31 362.35 5963.89 2139.23 1317.55 1653.68 602.85 31630.66 1291.97 3337.62 2340.13 1507.22 2251.96 1198.93 746.89 10044.2 8382.1 1160.76 1586.7 261.71 237.16 653.42 1848.56 308.9 900.12 1701.85 1569.02 2588.23 1974.78 3251.43 251.52 1122.53 286.64 1224.3 317.04 3059.54 3304.65 3928.49 3927.48 3818.65 3822.72 4160.08 3936.36 3108.87 3815.73 3940.28 2-Methyl-d-erythritol 2,4-cyclodiphosphate 784.57 1882.62 391.41 6727.63 3938.06 1601.82 407.57 2415.97 2506.8 1057.58 1146.31 515.75 319.52 5085.53 1280.02 2072.89 565.64 2281.52 2753.3 5305.07 2114.12 312.5 1034.67 393.54 773.12 1319.16 1143.18 1751.45 1070.75 3082.05 1678.56 3556.73 1453.78 430.6 279.63 1399.91 1529.3 770.35 381.43 1488.74 1851.08 796.11 2268.43 2636.61 4030.77 6230.6 1793.59 2003.82 503.99 3683.92 397.9 1071.65 4050.17 5132.95 9145.96 1129.84 354.37 3491.25 343.81 589.62 3656.36 5986.06 284.89 1907.45 1712.61 4219.95 2036.02 5539.42 2752.12 2235.31 2032.87 3398.81 1071.25 3686.25 4974.52 2421.84 4105.6 4103.79 3986.81 4039.19 4106.4 4107.6 3924.51 3968.15 Clindamycin phosphate 9502.51 2365.67 575.8 943.32 216.54 782.27 1368.22 4938.75 15966.83 3301.08 235.45 575.32 1295.93 268.35 22023.79 583.88 1878.09 1003.84 13574.16 17970.03 1413.89 1531.78 541.62 884.5 649.57 995.17 514.1 1533.13 1806.12 379.33 2728.01 3298.61 2174.91 757.71 313.45 1004.37 301.04 795.33 275.87 288.11 532.14 9026.23 1219.36 692.31 9508.42 541.51 4912.65 6652.4 792.99 12300.8 1248.3 2366.87 686.27 320.91 813.94 1514.2 1299.98 349.34 16229.41 2658.36 1050.84 325.23 2485.98 1977.18 14162.5 976.82 5476.16 327.29 1835.74 4673 13179.65 2258.37 4525.71 214.79 1232.5 3548.92 3492.09 3357.88 3733.5 3681.95 3686.37 3451.02 3654.65 3434.45 Ketoprofen 133133.61 276121.58 450547 234001.4 86842.83 389022.72 249030.01 112121.36 196135.79 172388.07 152206.15 130217.46 288178.91 101273.43 427825.35 268366.1 454559.48 141568.55 408975.34 147245.08 124888.04 725313.45 441749.79 199460.02 121384.9 167793.5 198296.87 345305.46 334347.84 112150.89 111280.1 96362.15 576731.92 335717.19 549322.42 156670.82 130562.67 301379.63 217193.14 137234.06 180919.72 119344.08 411015.76 392778.32 292852.52 235151.87 448928.57 215821.16 265987.79 396138.49 89119.08 400438.47 298846.93 318708.16 149123.5 326496.06 253571.67 530205.54 272196.03 362388.01 442726.29 328426.48 288744.86 358825.01 405562.36 117409.63 244553.79 237211.12 320586.8 140062.41 239621.07 322016.64 283173.48 355818.86 334733 287098.63 288382.62 288360.39 288380.34 290277.07 287623.8 287545.82 282252.96 288204.99 10-Hydroxy-2-decenoic acid 113407.58 119056.55 141483.41 105731.61 51167.27 53263.2 58787.3 85791.38 92612.22 111400.76 110479.55 144823.73 84516.07 115715.36 93252.71 93416.23 101290.68 87561.27 89968.98 79645 120102.4 148238.74 163525.32 156948.16 136913.23 151964.81 174970.29 168515.98 124371.87 159302.6 133384.49 108975.96 118628.56 162923.95 253190.27 145188.73 151995.41 187726.02 160357.06 179163.47 90513.32 104809.99 148806.92 138707.81 87350.41 93623.38 95205.78 115107.01 135566.4 91138.43 108996.16 116579.94 132143.62 130772.5 104848.65 122900.38 162512.45 262642.8 97184.05 136706.87 145721.96 136183.2 125047.22 130386.65 126934.95 96238.36 84604.42 128116.8 131210.6 95161.04 99799.3 119457.91 112539.74 113073.11 112753.83 143051.46 143329.18 151861.96 147833.14 145895.3 142515.97 146490.17 142976.84 154691.24 151372.31 224023.23 145416.96 144807.36 157540.38 154968.65 275274.91 153775.82 155745.63 141185.63 155579.22 159430.56 157780.07 149462.93 151162.09 148899.02 91392.18 91973.04 91280.51 91377.37 91960.51 91975.93 91377.41 93820.46 91629.76 8,15-Dihete 9776.26 43909.03 21091.29 21171.75 24943.91 12875.1 1679.58 12639.69 16720.97 19811.98 17564.72 30068.67 27363.91 20474.79 27371.64 27232.96 29378.38 10417.53 27216.5 5163.55 14222.83 17328.82 23847.45 14436.3 21552.38 11730.83 12114.42 13271.01 14226.68 7381.5 4978.23 16655.73 18261.68 12804.32 14437.18 14651.65 8672.17 3231.7 17800.21 21478.32 6060.88 9880.73 39205.87 21858.69 14909.88 22025.1 2998.37 6795.48 28142.85 17137.49 9807.05 10039.04 19039.56 20946.78 24834.93 37885.96 24701.33 26272.35 19180.55 28925.41 25274.35 28444.28 11349.39 29602.45 20554.78 14680.22 23269.54 19765.57 38128.51 21158.05 12072.45 22035.09 19446.35 31145.07 27053.8 20773.73 21388.47 21922.87 20832.06 20835.49 20744.82 21393.2 20183.98 21397.93 Glyceric acid 4088.5 4480.82 5155.33 8676.31 2013.24 556.75 6010.37 2502.3 1301.09 1935.52 3334.88 4689.21 6131.13 6064.87 7947.19 5321.2 4899.1 6566.6 1176.7 2724.2 2612.04 5253.05 3565.85 3012.42 2465.41 626.86 1263.06 2968.81 1974.28 2446.59 2850.65 568.82 2108.54 2339.73 2713.39 2777.72 4588.93 2418.85 6367.41 4502.76 591.39 2730.37 4804.47 5993.65 2957.4 6589.41 4131.5 5871.28 761.65 1057.22 1781.82 6102.81 2860.59 4381.57 6595.31 3798.42 5626.52 11809.49 2061.75 9742.72 5951.66 11295.49 5046.16 8095.59 2641.59 5871.68 4436.85 2612.82 4816.48 2009.96 4140.81 3144.74 7372.75 7887.59 10868.71 1926.67 2249.94 2789.78 3803.17 5694.79 1614.65 7395.32 3464.22 1783.4 913.49 2367.72 1046.38 2879.95 3637.31 1069.15 3195.77 2126.55 2287.42 866.98 972.03 3068.59 526.49 3615.73 3572.42 3779.68 3574.32 3551.79 3519.31 3312.36 3629.2 3738.73 3773.54 Glutathione 699.36 14028.25 4106.46 14698.8 3841.25 4020.41 9278.62 7945.62 10246.86 4513.71 8732.6 5555.91 2318.58 5950.31 5183.07 1862.91 5887.32 6386.12 935.43 4335.48 1411.82 2088.45 1154.69 7031.49 507.72 2399.77 270.45 3749.22 444.14 2645.31 351.42 358.28 2055.7 448.27 5146.01 1759.85 806.1 1138.99 2259.99 730.7 3178.6 3864.95 4376.62 6162.62 3787.42 15065.58 6314.03 4173.38 1770.06 4580.11 4388.67 5635.21 6355.16 8097.16 8653.59 575.14 4501.69 1785.18 7665.12 304.83 993.97 1459.29 6099.58 7801.61 6470.89 5005.41 4995.68 1098.39 1491.57 2693.97 7390 6961.44 15022.05 15026.84 10368.8 8916.3 8913.55 9113.97 9532.43 9124.23 8976.37 9078.86 9126.57 8757.14 3-Methylbenzaldehyde 19583.19 9818.41 2410.23 5429.49 23525.75 15467.18 10837.67 31003.11 30600.21 6319.16 9573.35 12520.84 3128.37 8683.87 27006.5 14865.9 9937.17 31300.69 19479.28 50750.83 29533.81 4553.16 2147.58 5577.27 16175.55 10435.91 4105.9 8626.67 26529.68 11934.03 29529.62 36659.35 16555.56 2082.51 3373.46 19288.7 22837.71 2688.58 7836.04 6012.79 28834.27 29340.21 6799.06 8513.1 28574.99 7726.12 36551.47 15459.33 8137.56 22856.39 15562.14 12440.07 6553.22 7621.49 18627.45 12423.35 2661.75 3469.64 26463.24 4696.51 6266.49 4161.94 15367.31 11850.96 16251.6 21714.72 27310.94 12454.11 16961.21 27534.52 32273.32 18551.45 19576.23 10787.39 13447.86 22115.57 21753.87 22288.14 21349.9 22130.66 22259.5 21820.01 21798.91 22144.87 4-Methylhippuric acid 1673063.63 659172.3 235976.87 112223.52 2690836.24 1323183.85 245724.55 3120100.71 1792926.3 1424769.15 1297391.9 2365687.52 895374.31 1002525.1 1953078.53 2276557.6 614369.47 2489049.85 2429070.9 3383688.74 1604663.62 693474.51 490444.57 419646 1023914.52 818770.1 451298.61 352038.63 1869966.55 885404 1076647.95 3824314.58 1038173.35 498680.07 423632.78 1142976.84 1359464.29 186155.21 488604.81 252869.41 1323479.71 2865471.74 911134.48 737476.09 3673838.75 929423.03 1573554.48 1060869.23 1933815.9 2831862.41 2593040.99 1559990.69 799026.3 484312.14 2173753.59 817001.02 198571.14 246814.83 2520175.4 943378.98 761908.76 660094.86 1387472.37 1157526.77 1122224.2 2878690.01 1356167.5 1282395.57 1096036.3 2111980 1479655.32 1696578.02 1276639.55 739851.79 863516.27 2061.93 2726.73 3752.51 3784.7 3836.68 1449.33 2902.2 2311.16 3309.37 2751.89 2643.59 1232.78 3686.11 2162.81 1500.83 3553.03 2750.25 3745.13 2441.11 2971.62 3185.74 2855.52 3080.46 2267.9 1663890.2 1664361.76 1664141.42 1677342.95 1680168.64 1680376.55 1692339.56 1600962.1 1680670.47 Tropisetron hydrochloride 68302.68 179888.28 95656.45 29549.57 77930.87 96191.75 205911.56 79806.14 83701.15 60764.13 65778.52 226792.78 42839.42 54129.6 56905.63 237279.82 42469.71 239610.37 39452.24 83778.77 67522.44 77302.12 143853.72 23748.52 55433.48 48503.9 20439.23 27135.05 71777.48 33636.78 50918.55 29460.64 43192.26 34804.79 28395.38 52940.18 59573.43 26317.35 33607.31 22922.62 85200.91 86581.12 164236.14 39668.53 84991.64 34072.13 93668.02 82702.03 43284.76 195226.13 57339.63 93601.48 173585.13 39459.25 71045.94 206118.03 25657.87 21102.82 57338.14 169506.66 143445.89 37591.25 219716.04 177491.96 162830.43 63165.08 68285.83 37530.4 163095.02 69394.76 98814.78 59842.54 43766.7 102659.95 48694.52 69571.3 71517.9 72218.74 59866.97 69606.2 72550.48 72205.35 72760.79 72648.89 Epiandrosterone 8941.37 62.98 421.93 240651.95 544478.92 999528.25 709993.85 9183.03 12133.11 207.76 2286.48 10618.58 300304.41 205.68 7502.44 49289.46 13426.71 4389.21 14953.32 4837.11 2787.28 2029.89 584.08 769.15 3416.68 2434.86 7971.15 2537.34 3158.47 3728.62 90.78 9187.64 843.66 10232.66 2679.93 740.59 1860.87 2351.76 3577.02 3154.29 295615.52 36604.67 145.19 2770.61 87.68 525052.43 7595.29 6997.27 14281.45 14958.97 24757.85 1152.18 4180.6 23111.03 72801.28 138.24 5900.56 206.33 8855.36 22669.15 120.68 15011.44 8060.96 5663.55 4994.38 25065.76 4991.44 10507.31 4436.33 8934.89 10759.46 889.52 6719.77 6787.97 56027.63 117438.94 122496.07 118305.43 117359.42 120640.2 117322.02 117332.25 114736.04 119142.17 Tamsulosin 63236.51 77260.07 40080.35 106347.91 79192.26 315977.67 86446.05 80400.7 86705.7 69449.6 86666.68 90619.69 169708.4 129478.36 74637.57 115910.69 83760.41 210209.92 82423.02 128601.21 13438.1 50867.42 32701.66 32671.45 13105.69 46746.82 4668.88 27112.16 65595.38 38418 73116.25 127782.68 13482.83 51548.34 31932.02 35399.47 13807.52 17730.03 36811.14 24344.17 148419.54 82059.8 46604.36 63083.77 169153.31 303229.17 51611.16 11855.58 43800.26 166875.63 69883.53 129443.94 48338.61 84048.09 66726.6 116631.77 37391.98 50034.37 48158.68 96366.44 44784.44 36181.48 80773.93 66455.99 82251.07 114081.38 268040.1 53663.68 72531.34 46178.85 59734.03 52335.33 66315.46 75689.97 75515.37 1353.2 3749.89 1483.38 1518.55 911.07 1525.86 1274.03 1205.22 1841.66 1232.93 617.83 1087.98 970.45 1268.25 752.27 1128.94 1332.5 1594.83 781.81 1936.82 1430.36 1286.97 1487.34 1639.22 1494.64 101403.97 103382.15 91258.92 108821.7 104040.06 98552.55 103465.87 101293.8 104164.92 5-Phenylvaleric acid 25222.92 30122.89 25826.77 30881.81 13164.88 11391.72 18794.34 23728.4 17040.75 32788.85 42160.15 32228.5 36398.6 45329.31 22934.76 25330.08 26611.88 20112.83 34844.82 1483.14 20894.68 23963.59 37344.53 33941.5 28029.13 25650.67 29724.94 39329.63 31111.72 10467.03 24563.89 36021.97 18128.67 34866.5 31726.71 36777.68 28713.41 16468.55 41100.49 30129.62 15654.57 27436.81 39720.09 38574.08 21144.31 34961.98 19218.76 35800.11 35152.73 31043.85 30154.79 35741.17 40817.28 42416.96 24062.48 31471.28 25174.13 29742.54 18300.02 28988.6 35987.07 36459.52 24660.67 29996.15 27201.45 28712.83 13050.05 37879.53 36042.77 19360.36 20063.51 38304.26 30934.44 31908.86 34381.07 25814.67 25277.83 25665.09 25665.18 25808.92 25663.21 26355.04 26016.34 25671.6 Chrysin 3893.17 3245.23 2835.83 3363.85 2663.89 445.95 3698.65 467.49 3985.99 2662.53 957.49 924.61 12315.29 409.45 276.03 1732.78 7157.97 286.64 5420.34 4368.5 370.21 310.06 189.6 876.5 495.06 296.25 942.13 751.5 8787.22 810.55 2613.19 197.97 1081.22 1334.73 1510.11 469.22 921.28 1207.49 504.71 755.63 682.43 636.5 1563.13 2508.71 4783.57 51859.29 639.7 326.7 21550.93 6133.67 1071.95 261.06 1637.78 4801.43 2417.34 3496.6 3960.22 1417.43 1523 278.84 1056.88 1259.14 4621.68 402.2 832.49 5945.74 676.42 39474.94 1545.06 2987.37 199.19 3244.17 1923.93 3249.17 5882.12 4229.79 4177.64 4268.62 4281.7 4206.02 4405.65 4276.88 4132.32 4280.06 3-Hydroxypropanoic Acid 21795.16 25760.22 41468.91 25798.93 24890.03 11394.13 38864.1 29594.2 25716.58 22343.46 42580.93 30433.4 44575.37 37570.8 55240.33 35812.77 32040.66 37015.73 20844.86 21553.05 26702.98 10255.1 35785.31 54173.81 43663.2 31340.97 31853.59 30185.79 21813.01 4547.52 37127.66 31784.8 27941.77 47532.09 33700.77 26643.67 35814.61 28055.75 37173.23 65969.73 18901.93 21813.81 70234.65 49418.28 34144.37 35596.46 40697.19 36219.8 21726.84 36129.34 45924.61 51896.52 58792.99 66052.66 34264.43 61649.96 70179.44 45539.35 34109.08 44264.42 64661.76 67422.92 55707.77 62542.51 48443.49 40123.46 23343.29 28905.4 32367.78 43245.89 46061.46 35682.14 56152.85 73066.69 63246.26 5303.17 5573.03 1389.98 4047.54 1928.26 4877.83 2790.01 5162.9 3496.28 6397.65 4128.76 6906.88 1922.25 5052.55 4903.32 2854.12 4168.01 4757.1 2957.2 3539.9 2392.33 4038.18 4455.92 1163.01 50147.42 50714.56 50728.93 50000.09 51962.51 51702.84 51697.67 54303.83 51729.68 Aripiprazole 6471.44 5335.66 503.25 16634.35 9011.81 9241.52 17423.38 7499.37 8594.07 7889.32 5606.74 16437.83 30437.32 49857.78 17083.89 6220.42 13780.86 17571.48 20754.23 8996.14 1896.22 980.64 1050.55 1958.11 885.73 2526.73 840.29 822.11 5971.68 2118.12 9256.7 28517.22 1842.01 1982.84 1189.96 883.79 1478.17 1050.96 1014.03 417.43 16190.06 7763.53 2115.48 5794.68 16087.45 7457.19 2332.32 2873.14 5056.42 19113.89 5236.38 8339.19 5316.3 6212.43 4497.19 5197.39 2693.04 726.75 1861.57 1113.35 482.15 1317.88 6850.79 4792.43 7241.75 13012.29 15513.52 5394.83 6872.85 2626.26 3405.42 5504.14 4931.86 5538.56 4243.36 6586.25 6771.84 7011.65 6561.42 6592.73 6728.51 6743.01 6569.18 6860.43 13,14-dihydro-15-keto PGD2 8986.69 3747.34 1691.57 1947.86 5578.08 2974.53 2252.83 5278.66 3214.15 1729.21 2317.35 9893.66 1887.51 776.65 7275.38 3128.05 2756.56 3463.78 1068.73 1800.06 5939.6 1331.72 2165.83 1764.44 10696.89 8964.63 1681.39 1368.42 6446.63 252.27 1327.19 1627.31 3023.36 959.03 1078.12 2352.63 9866.75 3550.79 1854.1 1181.52 1184.78 6388.69 1217.42 1218.2 4966.37 1837.03 7010.63 1357.23 1179.97 1455.95 8667.48 4614.58 821.96 1646.6 9016.39 5425.74 776.13 800.52 9697.13 6148.15 1440.55 3073.67 5642.88 1476.11 266.29 14529.26 8729.89 2639.55 2192.52 13694.21 6126.76 2545.39 2082.73 1134.14 2056.81 4278.1 5241.01 5053.59 5462.48 5171.16 5455.01 5562.82 5375.28 4981.9 Aliskiren 12192.91 6657.29 9924.65 5769.45 4264.92 5110.36 4047.6 8373.51 5857.85 7276.32 50679.54 7705.84 22572.63 7668.07 12044.87 14570.34 10879.87 4727.13 48824.44 7043.26 23627.88 10775.37 27184.3 6345.29 14460.35 5857.55 7013 4478.59 6341.61 5960.34 2045.48 16309.86 32486.91 6164.62 5612.03 18991.12 6861.41 2922.31 6017.54 14065.39 10065.19 5658.08 11475.68 7235.67 6544.41 6090.91 7234.21 7043.82 6631.49 7958.15 3883.14 6793.57 9422.09 8570.21 9504.75 10693.53 5863.77 5844.07 6326.68 7689.08 6985.98 7634.87 11700.11 11402.21 14289.94 5568.49 29285.35 8770.39 6916.75 9066.7 5321.1 8036.53 21078.03 13229.52 43025.14 15027.35 17295.68 14080.76 13774.45 15668.95 15193.77 14061.83 13581.44 15634.98 gamma-Linolenic Acid 56607.64 38474.22 3346.21 12002.45 47128.47 3137.36 32235.42 90948.21 35770.94 25119.19 18511.99 23421.01 39028.55 19038.97 72090.67 15842.68 12615.18 71061.85 37028.88 22458.23 26210.99 19639.22 5375.39 16848.98 58864.17 30643.16 21146.34 10661.03 24967.78 6165.23 18608.11 25174.78 10543.6 2704.59 12742.08 64495.37 35608.16 1007.9 5391.45 13104.23 36545.31 129129.21 14894.71 21410.78 29552.38 19102.56 115924.39 24423.32 7191.73 16593.86 18461.06 13638.94 7496.97 12395.98 95429.92 41013.51 4828.53 7105.63 69020.93 23085.13 15297.47 13986.56 27412.89 12587.88 12162.61 65374.06 19532.4 29463.1 48802.17 78177.09 28368.23 41487.33 11420.76 16241.21 23314.76 7597.37 10641.01 23284.78 12047.35 6480.6 19459.22 17431.3 14148.3 16595.52 11188.65 9963.77 20742.7 16184.33 12383.86 6234.38 16840.78 13941.75 12292.31 9184.07 7289.38 19283.72 12627.43 16115.67 17280.36 10283.25 38958.91 39383.98 38804 39807.51 39309.13 39214.05 39392.53 37998.93 39809.93 Armexifolin 20380.79 21688.65 13559.87 17117.12 22682.71 38912.61 24023.1 23143.7 26219.36 26565.61 23322.61 16211.58 21740.52 14900.56 26150.79 21376.61 16299.9 12339.28 18066.3 17460.83 19904.32 22581.74 18421.96 15228.9 17215.5 19858.54 13303.22 13776.2 21805.36 6806.87 14944.52 14055.32 17389.5 19674.1 13541.74 16376 20369.09 11272.4 19410.74 10635.93 19864.49 29335.05 20677.38 17652.65 25428.68 19454.83 23809.19 8981.41 11749.87 18486.65 19241.71 16687.56 18898.39 19732.62 20547.33 25720.88 13011.1 14456.03 21523.09 19569.55 17145.21 18790.65 23261.32 20856.72 17525.04 26329.45 24324.66 20682.41 15735.09 22309.97 19982.2 23783.49 15378.08 19205.75 21268.3 21201.61 20745.9 20811.17 21075.15 21056.96 19617.84 21056 20892.17 20736.89 (±)5(6)-DiHETE 2845.74 3949.7 6650.37 5600.89 4672.99 5899.3 3502.83 4571.45 5865.46 4660.78 4646.74 8509.08 8127.36 4864.47 7811.72 7192.25 9496.66 2704.96 7942.75 1849.75 2296.27 4126.01 6649.85 5122.41 5185.44 3073.5 3671.33 3846.44 2731.46 2868.12 2346.73 3973.42 5912.88 2949.85 4635.88 5418.69 3485.1 1788.28 5703.53 3857.52 1183.34 3023.26 5957.18 5300.95 6003.64 3471.34 2834.06 6246.6 3839.73 2426.41 4891.08 7668.73 3856.26 5176.53 7916.99 9100.39 7987.4 7558.49 4028.56 7650.39 7448.28 6691.08 7857.37 9204.46 6841.95 11904.13 5839.34 6652.59 5965.25 8523.86 4283.22 6128.13 11776.14 10831.97 7580.83 6400.71 6100.51 6130.97 6207.12 6195.64 6086.88 5601.22 6204.66 6187.02 Threitol 12195.99 11672.86 11952.84 12625.77 13245.36 7417.45 11327.01 16863.97 16959.35 15834.61 7440.53 21338.57 18708.76 14991.22 13403.26 12846.45 11088.21 15389.68 18960.92 12452.64 9131.56 7767.51 11238.87 10565.74 12344.34 8575.71 8668.71 10408.39 13461.33 7832.5 6351.06 11736.07 9881.09 10392.46 9563.19 14154.13 9110.88 1946.54 11883.74 8093.74 9975.72 10345.2 12955.51 11188.9 15522.4 9700.7 15972.09 14905.75 10570.2 11450.22 8145.87 9955.89 13224.38 9294.58 11480.79 12489.34 10300.92 11250.3 12131.68 7191.02 10523.13 14568.64 13656.65 11167.7 11720.99 14371.83 9739.31 22141.11 14936.44 13644.58 9048.4 11971.93 5755.84 9265.65 11299.12 13477.49 13486.56 13570.1 13346.24 13505.92 13341.35 12984.57 13389.85 13409.02 Thr-Ser 25561.07 30592.04 33897.63 33226.88 43594.57 13811.42 53235.09 51744.85 35089.4 30991.12 27962.64 43067.35 21537.12 26670.83 40786.9 33886.44 27741.93 49934.08 9878.41 35297.22 5664.88 4383.6 9675.77 5727.79 10124.65 2973.93 3900.19 4148.29 8848.81 3966.54 6433.26 9326.45 14459.09 8014.62 8928.4 3034.69 8191.66 2437.56 28019.29 5667.58 9838.56 8241.3 32617.46 20530.58 8570.48 40501.56 49089.18 23649.1 6351.84 12934.34 21753.23 37141.62 24855.19 38504.04 35031.72 38130.02 20288.48 38041.32 17737.61 22690.02 15471.67 44632.04 31957.02 31962.05 13335.75 43123.21 23034.76 25054.2 26630.86 36786.92 32807.74 24833.01 31996.29 44458.54 69414.82 30361.12 30009.58 30526.94 29451.43 27518.78 30426.77 29272.48 29526.93 29426.24 Sonidegib 3854.28 2058.4 11926.46 1671.27 3484.99 638.94 2300.9 3814.61 3813.88 1101.74 3137.92 4304.12 4638.27 1292.92 639.56 3147.9 37088.64 5037.49 5155.47 4238.09 3964.95 9614.27 3924.93 2006.76 4132.2 3755.95 5390.31 3724.07 4071.79 3304.39 3411.07 1184.88 3422.63 1198.99 5820.11 3910.89 5057.83 1054.33 1532.18 2538.65 4249.45 3193.43 19467.28 16336.67 3894.39 666.96 4281.61 10214.63 3696.14 882.81 4163.24 7194.87 4942.87 1981.23 6888.37 14954.99 39814.6 18685.93 4900.79 5865.96 14463.59 27090.01 7823.37 20100.3 3939.5 1066.98 4671.94 12181.7 15015.93 4322.11 3946.48 4671.02 686.35 14745.08 6541.1 3888.7 3826.13 3724.49 3140.73 3345.21 2716.26 3917.36 3688.31 2792.28 (R)-4-(1-Aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide dihydrochloride 8845.01 9212.68 2928.57 6989.57 12103.79 21003.74 10072.96 11525.82 12518.29 12802.51 7673.36 9212.84 6886.67 6422.31 11592.01 5704.34 5991.46 6807.08 9712.91 8243.77 9936.38 8849.01 6657.39 4496.93 7951.77 8998 4569.21 6732.85 7402.64 5993.93 8826.67 5467.71 7114.39 7592.87 4936.31 10083.55 9393.66 3402.33 7163.28 3744.5 16718.84 9285.02 7957.96 5894.61 12562.07 6706.07 9008.6 4317.97 5126.85 5799.88 9604.54 11588.13 7468.15 11029.02 7550.59 5898.13 4472.19 3302.05 11699.64 10163.06 6436.43 7150.53 8697.3 8821.09 4053.69 12157.95 11776.03 7867.8 6351.74 10915.27 10721.38 10837.23 4259.21 7562.47 7384.16 9184.77 9621.79 9256.18 9832.92 9393.34 8541.89 9625.51 9652.04 9393.06 (±)13(14)-DiHDPE(A) 120222.02 88640.67 23809.59 38606.24 118145.06 24360.08 3218.96 152467.7 132756.73 36137.27 60885.18 103372.86 178337.88 76427.35 98683.39 50544.55 51821.35 96620.13 193030.69 52390.84 86753.61 19470.84 60756.88 40135.56 57297.4 54196.86 41290.23 23947.89 62045.41 15317.54 7730.27 63959.78 18673.28 71141.47 40549.77 136469.91 74114.31 10674.54 44720.98 19552.28 25358.75 135687.32 64852.71 44740.66 287568.72 36842.89 88354.03 95955 152624.36 93152.51 191441.87 105348.31 219484.89 86055.63 129450.57 77591.98 60410.45 10411.68 20046.2 31713.55 181725.13 102001.72 173581.98 80474.15 60955.73 121351.94 99603.66 45613.84 49021.06 200020.95 151851.58 54858.39 89168.58 28317.08 71027.79 94501.13 95317.36 94618.49 95315.44 95266.92 95001.34 95316.12 94496.56 95350.64 Ginsenoside RG1 27285.97 13583.11 7545.34 13058.37 28418.17 31944.18 11590.22 33267.01 34920.78 11118.32 22224.61 23484.69 31290.59 28280.65 30704.75 29958.54 10001.76 36076.99 49361.49 61498.07 7924.04 3212.57 11302.48 5469.15 7362.9 8353.63 2371.11 4290.99 41973.8 6375.58 16955.9 66683.33 6380.29 6531.69 4423.78 20678.48 6911.32 2815.6 7915.39 1984.48 16410.74 38403.38 15719.32 11068.6 66754.89 26528.12 40400.63 20522.39 29457.04 100999.7 32393.55 21302.21 20736.39 20090.84 30517.11 16255.89 6385.43 3061.34 21580.98 1923.63 14506.62 6133.95 24840.79 14825.48 17260.39 29001.97 20753.99 14957.87 10147.77 24495.98 22117.2 16883.46 14906.89 12374.96 23629.3 27035.05 35766.62 30801.68 31478.1 32471.93 32793.73 30445.29 30834.58 29898.53 D-Allose 16663.37 10362.84 22722.32 7206.4 24289.66 21354.84 47264.23 46635.43 22099.5 25513.96 31328.09 23377.42 9854.32 30410.91 30281.47 22143 14571.12 22026.23 14826.6 33353.53 17059.23 19673.42 45359.48 51600.35 50934.06 23050.61 22478.3 36513.5 31571.32 9111.06 33861.21 44400.54 25920.77 33467.76 18366.6 22376.87 27570.47 15349.03 25804.02 44033.69 7733.53 16025.39 20976.75 10206.84 18329.04 54333.49 29255.54 35804.88 69404.78 42347.51 59789.6 14918.04 58898.87 78701.39 26061.16 9882.92 29994.26 25017.1 20322.41 27399.2 36452.06 28293.11 25231.64 49462.63 34928.63 23074.87 7046.38 19713.27 4860.78 36641.65 17296.8 14365.01 42489.99 46102.95 26084.44 145360.97 218071.33 189852.48 184327.14 135001.25 203491.99 228595.49 146613.24 179638.52 121777.53 196102.08 159316.44 169352.1 159157.75 150764.15 175537.82 229821.76 201605.09 143392.61 193926.74 228787.48 152572.56 170125.04 188188.95 163085.13 33878.84 33865.9 33878.94 33869.72 33912.76 34478.94 34142.65 36174.39 34248.76 Harpagoside 615.74 3797.28 1140.52 1182.44 6039.75 2457.65 3785.32 1498.11 773.77 989.03 1711.06 1435.7 435.14 1126.47 2265.88 1635.02 1439.19 1657.98 3110.75 1446.17 1158.14 1744.8 484.51 899.66 976.93 838.34 402.31 579.4 977.93 634.26 552.08 992.05 727.31 2865.43 1213.51 697.87 679.18 1290.9 752.64 953.15 1540.11 1087.52 943.61 734.92 1529.9 2446.46 823.86 977.6 2496.06 4043.87 1156.58 1300.22 896.45 1133.5 973.57 1858.78 2434.52 2821.98 1109.47 24244.54 632.46 1465.94 1737.5 975.54 816.05 1370.58 884.87 517.6 621.38 850.02 1060.49 2579.74 844.41 2350.86 894.11 1921.8 1336.21 2050.21 1234.78 2254.17 5352.94 3057.57 953.45 2706.78 1905.2 998.13 594.71 1468.11 710.67 4455.79 2189.92 1647.86 8173.97 5031.35 9086.6 11737.46 8635.91 2691.38 3191.76 3257.2 3377.07 2713.85 3052.3 3121.97 2505.97 3103.6 Liquiritin 14669.27 8804.22 16497.06 22678.2 8538.7 11177.81 18425.47 16565.17 931.89 2645.76 8959.39 12059.61 9663.47 12414.24 14095.65 19039.2 11853.94 19667.72 1263.73 3203.85 5282.91 8826.31 6603.85 5570.55 4390.69 6820.03 1641.89 1306.99 6689.09 9556.75 2721.61 8295.66 8769.81 5279.32 11797.27 6678.55 12097.04 525.45 14980.28 10467.65 10162.62 847.99 13594.92 15001.45 6323.59 13149.58 22515.91 9919.03 510.15 1090.41 5845.7 14407.82 14740.81 18212.73 22873.68 14668.56 15768.03 25378.27 12572.67 7462.72 16565.18 22518.34 19985.87 20341.62 12688.53 24043.25 892.61 12024.8 17785.14 13286.46 21300.77 6415.26 24262.3 17990.63 28961.61 11629.47 11553.65 11468.42 6856.64 11633.88 11613.47 13449.53 11256.51 10682.92 Trifluridine 7758.83 17010.47 670.16 3321.16 8995.24 1088.42 6626.4 5689.38 7097.46 1057.86 1594.45 7008.4 3828.85 1439.64 20938.77 19998.26 18037.95 19357.3 4211.3 14283.1 5886.19 2030.2 1924.75 868.4 10775.89 19582.77 3992.09 4955.33 4678.1 1276.73 5306.63 7420.32 20866.9 1983.05 1423.23 4653.72 12150.21 1994.61 1514.22 5149.43 7224.19 11979.08 2362.48 1260.36 6399.11 4280.16 7895.41 22378.97 18813.82 23891.24 5138 922.14 4000.68 4377.1 17812.06 17670.98 2546.22 2729.56 10184.04 541.3 500.57 3088.08 15927.15 17167.81 34113.18 9782.57 18451.06 11061 22524.53 23115.83 16548.98 3015.95 43252.69 6105.87 6654.29 7405.19 7659.98 7923.52 7488.85 7837.37 7441.72 7877.12 6113.28 7830.95 Ornidazole 13754.98 13153.58 5224.32 10793.74 24495.65 6446.57 19476.55 22003.08 21572.82 13555.6 21174.52 26672.61 11750.2 14434.69 23825.63 29203.35 20820.69 20056.57 19409.35 29342.01 13790.61 9042.97 12672.76 11690.04 11073.28 10989.81 7161.46 10765.99 14787.59 11824.77 13684.8 18775.45 9667.29 8569.06 9552.89 10136.76 13409.28 4276.55 13914.97 7459.16 20648.25 20282.09 15324.76 14011.65 23828.87 17516.24 22703.99 17685.92 12728.38 27636.14 14754.67 14841.13 11828.96 14201.04 17535.24 15047.69 8302.77 8378.49 23117.83 11451.78 14193.97 14384.09 16962.64 18988.02 17664 24231.3 23768.03 18458.57 17577.97 19619.48 19509.1 20204.4 21780.16 17402.99 21894.28 118929.49 72987.35 47309.52 64015.92 37809.39 53258.58 52595.18 28042.99 74332.92 165570.21 53900.98 75090.02 78775.55 93323.44 22668.68 164393.33 86527.01 162914.22 177988.62 40572.54 104803.44 119842.25 55740.76 100059.34 81317.99 19089.87 19279.88 19179.64 19772.63 19329.95 19109.32 19325.62 18624.03 19334.01 N-arachidonoylglycine 208.89 141.16 113.32 5280.12 41485.45 10656.58 9915.1 453.9 781.79 808.85 133.28 427.95 1674.45 71.22 101.04 1430.93 312.89 216.1 73.22 973.6 158.35 1849.33 158.61 76.28 115.14 1417.29 127.63 63.2 126.38 69.42 96.44 166.35 762.08 367.73 448.83 195.71 756.95 962.83 70.36 548.91 10928.59 678.93 83.41 439.32 95.1 861.65 86.95 112.45 552.29 197.31 814.83 663.8 414.91 146.32 603.77 134.55 58.57 331.52 487.69 4120.69 89.32 256.09 96.41 98.49 636.36 347.81 99.44 621.52 87.59 63.98 111.11 118.9 64.6 70.93 280.37 3139.97 2971.8 2855.94 2864.97 2943.82 2854.93 2982.49 2988.53 2857.17 Mevalonate 5-phosphate 916.61 37651.71 4672.9 9600.67 791.27 43927.11 22209.74 5566.34 10634.87 46890.28 1153.9 1397.71 10789.08 5608.15 7184.07 713.03 1212.14 26078.07 16666.86 17277.3 12863.26 21991.27 3554.78 13142.65 5216.42 9876.56 410.24 290.05 1658.83 10221.74 1012.32 845.7 43002.37 4244.81 7958.96 1228.55 8031.35 10483.44 5916.35 567.7 6808.65 1893.66 29859.88 6529.7 1397.65 20684.03 6601.6 16400.72 4822.93 387.26 4361.39 26135.12 305.17 7267.59 531.07 67486.5 4345.81 15524.24 18295.96 27224.24 8831.6 2063.01 1143.27 37845.12 60473.19 20759.9 9967.08 592.97 318.12 8200.64 124239.92 4051.91 4420.38 26038.93 9041.46 2116.79 808.93 2728.41 1822.67 2729.15 3033.82 1908.29 2550.9 2237.38 1972.36 504.74 1665.04 2847.15 2395.16 3109.64 808.9 3164.8 2071.68 1176.47 1230.05 1138.59 2648.79 2218.55 1094.13 1257.99 13348.81 12323.38 14055.46 12016.56 12221.61 8896.42 11822.95 13352.66 13153.92 Lomefloxacin 3565.32 6814.96 382.08 577.2 1487.84 1336.61 4504.9 13752.08 10838.53 892.17 3715.75 5173.69 1029.07 3198.7 6846.4 4469.72 3691.51 14516.86 8659.82 13602.12 6964.65 1001.61 2471.43 4438.83 13463.06 7349.83 770.05 911.13 1546.92 896.09 14426.94 2880.81 4611.81 1699.54 557.46 9315 14537.08 1538.65 1410.61 3877.52 3432.9 8195.3 4964.15 2099.94 12091.41 3416.06 19518.71 5770.89 633.26 9164.88 1112.03 5656.28 2697.48 714.16 8009.64 6014.68 798.24 3174.08 14388.02 3699.31 3731.38 2734 7309.52 6366.98 7767.54 6025.96 5862.2 3617.43 6076.16 14237.53 4875.11 9655.17 5175.19 1316.95 767.6 5907.86 5914.03 6007.05 6033.43 5907.53 6737.45 6297.48 6342.81 6341.97 Glucotropaeolin 36875.86 426.63 637.64 230952.59 651423.09 33913.85 130541.19 41766.89 7693.78 9316.7 5846.09 30827.9 272378.23 1177.62 23042.79 265390.1 106108.03 103378.79 20246.19 25046.04 61695.52 802.92 177.28 2753.8 28341.78 6325.37 14275.87 13960.49 134413.74 26028.06 7036.32 26016.06 9376.2 23233.25 40739.27 8479.73 11714.77 925.03 25424.19 26891.23 131685.48 85719.32 1374.71 1128.6 1932.97 292508.8 1967.28 735.74 57168.42 197857.3 77346.62 6792.87 23086.39 112173.68 151369.14 567.38 529.73 776.11 82583.25 13242.29 183.76 15953.48 48459.01 26577.09 4791.62 124810.14 18780.71 101186.9 22867.6 11329.28 15459.67 25186.82 13133.56 122165.55 217128.37 74336.23 73664.58 74296.85 74654.54 74324.07 74170.17 74324.43 70611.23 74336.67 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 2036.31 524.08 230.73 42575.16 34135.68 38050.5 57217.44 1891.51 280.73 4931.44 1095.76 4878.89 44422.47 665.23 948.53 69345.56 61108.15 17022.89 14438.02 403.6 273.5 5027.86 8804.01 7489.86 856.82 6787.5 18510.73 4101.22 10142.43 373.55 2781.22 6513.6 2499.9 3876.97 3052.76 1652.11 4036.2 1631.46 2234.37 2185.51 7954.84 914.35 10805.65 330.73 7002.5 69455.61 262.65 9355.4 6630.72 17033.4 4398.25 5874.4 2492.96 7886.96 11261.17 573.88 455.32 204.81 17793.76 35034.28 13235.86 8871.18 5090.26 2689.73 8621.41 4598.05 474.79 45086.76 1393.62 494.75 770.82 7528.64 6274.43 33904.37 65027.09 16310 16642.27 16011.3 16782.42 16013.24 16299.61 16110.8 15336.74 16686.61 2-Methoxybenzoic acid 7535.65 12772.19 14473.92 11879.69 1221.49 653.75 7668.95 7662.18 10474.17 17157.13 13762.52 9632.29 6276.06 12497.48 7131.6 9326.71 12575.83 6104.36 3440.85 1915.68 8266.7 10205.26 14616.64 14138.56 9828.62 11310.94 11725.66 14174.66 10848.4 18710.79 6958.92 6670.53 13069.56 9843.33 13204.07 9240.92 15260.6 8973.58 16533.08 17266.86 6562.7 5405.28 15556.94 24646.88 6060.81 7757.07 10632.47 11541.89 8933.61 1113.79 4333.48 11098.48 8691.47 10525.08 9033.36 11311.43 17000.98 20381.99 9614.8 17024.17 16071.44 14965.87 10464.09 16116.85 16971.37 4645.26 6381.21 15108.29 16465.11 8750.13 10624.87 17785.05 12882.11 14608.56 16039.87 9189.29 9167.2 9025.75 9088.41 7840.42 8984.05 8991.33 9175.28 9173.67 FFA(20:4) 29221.56 30230.32 36945.8 59894.99 31979.43 93460.06 51118.04 33354.25 32538.57 50045.19 53652.36 21797.5 27575.79 31796.13 31587.7 51610.19 28300.64 22904.98 25825.92 4579.76 42644.63 48175.02 25600.68 56233.37 21662.76 67047.79 79207.66 37688.2 25401.19 13668.64 6430.53 9164.72 20150.73 41107.74 80566.83 14622.46 24775.54 29114.14 63325.87 44555.18 13488.39 29317.96 33057.49 58473.01 35162.3 35644.9 23870.5 17941.09 17369.47 27419.85 23287.57 45444.69 44898.31 51217.14 25751.11 40150.74 22257.29 45206.7 43926.84 37165.29 107348.17 48018.64 62625.61 38737.47 29048.18 32249.33 48765.74 35123.15 29661.09 30811.86 32257.9 42155.69 30715.25 29137.88 58006.99 30588.92 26331.95 30558.27 30991.04 31487.85 31563.34 30960.7 30580.13 31814.66 Hydroxyprogesterone 19508.47 42703.48 12775.38 22829.09 1729.78 4724.66 2813.64 24285.05 20023.48 12247.88 24911.31 11183.02 13029.07 19253.67 36531.11 16544.97 33911.69 52283.12 20276.52 33715.3 23258.06 19626.38 16619.79 22566.06 23953.55 49304.73 21372.44 17525.94 19713.33 55338.76 31590.82 22252.02 55341.79 16164.58 28675.75 20646.46 57516.88 35435.78 32590.61 49542.9 31080.45 4992.02 22669.14 36401.1 22167.89 3086.76 28944.51 21394.24 10708.33 11082.5 19083.53 34576.51 21571.9 19320.23 25158.19 47719.87 37398.62 66756.38 60981.76 50807.6 50452.22 24228.7 39883.12 42341.9 65927.4 18357.73 23382.26 14819.54 29495.5 24703.82 49712.69 30982.71 37185.96 34676.34 27695.66 23110.34 25860.17 23432.76 23818.61 23301.77 23290.79 23273.93 23864.48 23800.57 Ipragliflozin 68935.5 127161.81 38384.89 1463.91 14492 4634.07 44003.53 35209.12 191093.51 89420.94 104534.06 23784.69 11739.21 51621.75 99065.6 103554.75 79648.59 67655.68 35137.37 14717.43 30100.4 2113.17 22571.17 37240.76 45257.96 112252.75 48090.58 27793.24 21466.04 47511.19 11845.2 22918.15 4336.63 13216.73 35933.77 32391.82 149444.33 14788.33 46133.77 100207.52 20712.55 28376.35 52426.63 48874.48 58278.8 26820.99 35092.64 5422.37 14547.39 78300.27 17452.08 102332.31 32243.41 53893.95 91349.04 123250.26 51526.62 53948.07 35548.16 22521.33 36232.71 22587.93 160561.45 219868.65 104890.04 125706.86 88471.55 88032.39 110557.25 142734.44 101434.84 201729.26 95851.72 93904.2 141403.81 67155.21 66367.76 69829.49 66376.44 67145.77 66352.25 66357.92 66202.87 68135.66 Trp-glu 30190.65 57031.9 88220.67 50791.51 9949.56 82259.63 56477.02 29208.7 45869.04 40089.89 35555.09 35322.36 62859.96 24594.26 90446.96 60938.34 97669.82 37277.7 84917.81 17298.09 28642.19 140215.83 86204.97 41012.75 28872.79 34778.63 40260.42 68551.48 69799.26 24734.36 26049.22 25645.44 115341.49 67078.02 108989.2 34422.91 30020.61 58384.5 45513.76 29236.63 43161.74 31846.7 83463.58 81581.99 64722.88 52638.1 94843.83 44254.14 54319.47 85935.84 21767.61 82305.31 63884.34 66014.9 35630.12 68008.6 51888.49 105380.03 60420.49 72770.04 88527.8 68192.3 58403.2 72801.97 82894.79 30551.2 57050.79 52722.38 69778.12 35450.22 54888.89 69745.66 59779.05 75288.12 72248.04 64236.62 63650.83 64090.15 63647.19 64217.95 63662.52 64220.51 61742.3 64235.6 Mycophenolate mofetil 4402.54 6919.56 19589.17 5941.25 4778.97 2384.46 1547.44 7579.53 8098.24 5346.08 4690.82 666.13 690.82 3282.76 5204.23 5514.38 3549.52 6562.59 5104.84 6838.07 5303.39 20884.99 4124.57 3109.82 4238.19 4832.97 2141.79 3979.13 5363.62 2827.8 5690.99 5183.12 6079.67 26170.87 2312.26 4170.14 3457.79 21331.32 3867.14 2375.78 9908.81 6785.47 4943.74 4764.31 9299.85 1094.53 7698.44 10512.3 4205.27 5371.2 3879.3 10739.91 5121.33 5291.18 3245.11 8387.05 23298.35 13777.23 5312.5 9795.29 5830.06 10230.14 6077.44 6625.55 6772.69 5737.78 7045.53 4921.57 4622.79 5478.5 6573.17 6179.21 4204.01 6156.32 4362.53 10983.15 10848.05 10845.06 10674.87 10987.45 10990.97 10476.76 11039.44 10986.31 Puerarin 3144.54 1069.2 983.28 1075.56 5163.35 1951.5 4349.89 16774.62 38277.8 8172.74 3040.77 1097.65 1879.05 633.77 8943.99 6424.17 2038.52 25739.48 8416.05 3196.99 15576.28 2655.96 1500.22 9291.72 16944.77 4615.87 597.14 1093.42 9184.31 5931.97 21701.18 7185.14 716.18 496.5 1885.87 10527.85 8038.63 1740.62 961.74 2077.87 8712.01 24896.27 4481.26 1050.12 25103.15 3177.2 11691.82 6444.17 4890.97 7121.12 975.95 6349.87 2677.94 834.66 3053.37 2149.32 852.99 2178.53 10488.09 1136.61 7211.41 2443.94 5239.04 7611.02 4001.71 6784.92 5333.31 4779.83 7299.18 4731.94 4569.31 11967.36 5664.27 1312.41 1108.33 4381.57 5038.48 4898.6 3721.29 5042.62 4581.67 4966.78 4970.02 4218.31 Ginkgolide C 306.76 438.57 1382.6 199.93 377.16 2597.67 348.57 187.45 525.99 144.97 251.51 229.02 146.4 274.77 1527.01 239.03 380.37 577.29 108.22 1134.03 307.04 1457.01 155.67 163.44 101.21 244.28 202.85 173.86 507.96 184.06 115.49 427.95 403.98 579.58 296.35 285.47 124.55 1057.99 262.94 111.53 1896.77 441.63 177.39 314.96 406.5 1225.69 445.76 822.83 313.03 140.97 241.27 418.08 597.64 508.95 669.85 357.51 1589.93 1948.35 446.59 3072.63 283.02 167.94 339.46 461.05 472.26 96.68 997.45 92.83 146.37 435.21 362.57 355.37 476.44 1044.87 183.54 2595.56 2658.13 2656.6 2659.37 2402.78 2656.44 2664.15 2623.85 2593.44 Regadenoson 74544.73 41619.49 12256.43 24279.34 151497.46 76976.87 43246.11 150619.39 101534.07 56707.66 82316.24 144807.89 95364.29 63298.81 104567.82 142256.59 57530.12 166034.88 102283.93 138722.29 80182.13 15974.02 27889.02 34208.5 53307.96 41235.08 20149.7 29143.7 85189.85 86999.59 57471.87 157151.85 61435.91 40245.23 25363.51 62857.57 71958.06 13766.91 43241.36 21150.45 154936.23 165463.56 60007.24 66349.39 178108 91486.7 92496.86 52717.94 100289.42 171750.27 118511.53 62491.76 66060.61 60780.11 94906.7 51344.41 10732.51 24883.11 108261.1 39867.52 46060.88 45045.22 72940.12 72904.89 98249.06 122342.36 112834.05 85045.21 80941.56 108221.05 83057.9 89558.4 84904.89 63455.89 90709.43 103657.4 103328.57 103627.12 103598.95 104704.04 103612.94 102473.02 102426.59 102430.97 3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin 14744.28 41145.22 4053.06 12522.81 12158.25 17817.41 7756.55 23848.54 12610.71 1379.87 7173.85 15367.05 18623.64 25394.67 39513.76 10118.21 10401.63 38126.27 1904.14 29354.73 1500.31 4806.52 2568.47 584.71 10785.29 10456.21 949.99 3861.62 1078.46 567.98 17354.47 47657.56 2832.1 3941.53 3080.13 3888.81 11337.37 2431.95 5700.29 975.8 32234.3 21713.6 5286.13 8647.1 32590.5 2378.28 3331.8 7687.53 1161.39 52542.2 12068.36 58337.04 6222.02 11740.4 16958.01 52530.25 3429.02 4632.96 1332.01 6313.99 2727.58 2649.6 14703 5018.35 1210.97 20233.17 99121.9 8704.47 1090.87 18420.98 1309.86 6860.64 1970.04 10260.48 717.38 6244.7 6617.23 6602.59 6485.16 6644.73 6292.5 6924.94 5130.89 6264.37 Flurbiprofen 217595.01 8652.25 4704.1 13965.24 112714.2 4656.23 4857.92 265327.63 270568.31 442.57 53068.98 165476.38 5718.03 52691.83 193690.92 124354.52 66875.47 212403.71 1668.32 328689.91 176815.22 432.3 917.5 14972.36 191879.71 96834.54 382.34 1389.09 232977.94 169330.3 209936.06 104425.6 98848.62 17794.28 562.05 201399.76 159952.61 2982.94 3886.24 54210.61 260231.25 242930.94 1205.19 939.15 253406.11 396.52 356185.17 10333.17 23515.58 9110.82 125412.71 316.05 305.51 34805.99 185446.43 64690.9 1862.1 1326.35 181134.91 1837.33 1094.82 1356.39 82316.68 17150.86 123313.52 192103.82 131857.43 12714.69 10844.45 234155.17 260895.33 560.3 101889.87 774.23 3869.84 129094.32 128852.14 128570.96 129283.03 128877.93 128432.73 129282.52 127110.92 129396.69 Zileuton 6473.33 7146.92 2611.2 2453.79 7373.48 11673.1 5621.26 5981.28 9061.35 7491.63 4923.32 7153.86 7332.36 4452.25 13550.14 7412.24 4473.86 10894.35 8503.68 15261.23 4978.49 6288.86 3111.16 3521.09 5031.38 2432.65 2370.95 1662.45 8389.08 1144.33 4184.68 7107.99 4542.4 1728.43 1435.8 4921.8 6025.1 2379.62 5179.57 1269.3 11241.63 12469.4 6128.46 4127.37 13225.49 8181.33 29225.52 4124.38 3585.03 6638.83 8586.65 8399.76 3783.14 6229.9 7413.79 5245.37 2228.91 1670.55 9202.9 6536.57 4811.83 5194.82 9182.05 5151.7 4762.55 12510.84 11777.15 5607.1 5425.06 10200.71 7487.57 6269.99 4686.48 4979.76 5610.84 7999.22 8306.34 7991.06 8294.8 7965.07 7973.94 8338.06 6838.28 8301.37 Roxadustat 11791.72 22382.95 21337.44 14299.08 5619.81 5044.16 13179.44 14931.39 5838.14 19998.25 20778.58 19386.01 9163.89 15921.52 11856.41 18189.54 28304.37 2209.12 25924.93 8868.11 5825.06 827.15 22685.59 32131.85 19000.36 19252.89 24787.46 22602.02 22802.89 11420.61 12246.57 15855.07 19184.43 21026.37 20695.3 20402.12 22602.39 19487.93 21408.15 30538.82 3134.73 16428.85 22741.08 22035.4 8923.56 12694.14 12475.87 27048.96 20136.97 7890.01 14291.44 20997.03 18573 21623.74 16914.16 32103.42 23472.6 25465.67 6390.84 20672.94 22311.79 22745.64 9526.39 5728.28 23748.15 27086.66 2778.38 22906.81 19521.47 9686.51 17516.45 30096.15 22290.9 18996.13 18519.46 6070.44 5927.61 5802.12 5719.68 6216.52 6587.28 6426.07 5274.9 5711.07 6360.72 5955.72 6015.14 6604.76 6398.38 6429.31 5642.01 6222.2 6359.11 6042.93 5942.84 6609.51 5994.76 8788.72 6420.41 5943.7 15761.66 15003.31 14938.48 15188.77 15552.89 15189.28 15389.96 11199.65 15614.73 N-Acetylcadaverine 7556.97 6981.89 2207.59 2681.72 10887.98 5180.13 4700.51 10507.32 11577.53 7746.98 8645.42 11199.62 14761.17 7699.52 9969.47 8576.21 6293.65 10686.29 11144.59 6751.74 8189.55 3680.16 4799.03 3937.67 5535.84 3978.66 2955.81 5371.81 8540.64 2114.7 6432.06 7856.58 3884.53 4724.9 3194.15 6977.99 6460.13 1669.86 6206.81 2775.89 12698.41 13968.77 6245.16 4938.4 9028.23 6400.18 9395.82 6696.41 4910.64 9758.74 8175 7754.99 6252.85 7778.64 8013.87 7963.57 3830.77 2737.64 9427.13 3630.21 5385.16 5361.96 6717.61 6036.65 6705.03 7242.14 11486.97 8767.43 6274.53 8310 7956.54 7825.52 7420.28 5602.61 6719.98 11706.77 10075.72 9947.57 9891.57 10309.54 10238.42 9954.92 10023.61 10265.81 6-Hydroxyflavone 145088.74 78682.21 140250.67 200788.86 165491.18 94473.23 230048.61 277695.75 215362.11 199611.28 312487.47 416177.7 318197.72 249723.5 146728.98 310267.36 360668.05 211558.25 361935 277237.58 159868.99 53537.87 153769.94 148668.19 229595.05 82794.48 138128.65 241916.84 273358.05 357106.07 244107.99 221057.91 75213.79 131165.77 142929.77 278173.99 193885.67 22556.34 203579.53 154064.71 319114.41 236248.88 245079.27 257512.2 275392.71 270160.83 408577.13 235740.27 249624.47 427935.31 117657.75 98773.84 234081.78 267648.82 160248.92 84227.04 105296.73 121775.52 145221 62875.02 215363.82 193975.28 87593.62 275235.62 277843.45 197396.44 156952.04 394846.15 375488.98 182262.18 153616.56 258493.24 305685.04 291827.85 289488.3 248456.9 249143.89 247488.03 250601.76 247462.15 246539.97 247151.15 242758.27 247143.54 Dienestrol 7338.5 4210.48 565.5 2816.78 7492.14 3334.55 1920.83 18884.39 6518.09 6447.88 3164.05 2747.25 5045.36 1106.11 9408.66 2663.07 3000.75 6496.62 5558.55 6583.96 3150.76 2386.93 4085.18 1310.41 4491.23 2123.96 611.11 533.74 1314.54 3032.12 4823.17 5205.9 4734.96 698.71 2304.72 5274.07 9332.24 735.9 914.47 1014.8 2323.21 9826.48 2259.95 1831.27 7428.66 959.41 9345.04 1048.42 1283.06 3996.2 4821.52 7713.76 1797.2 1775.02 5987.7 2330.26 1160 1358.99 9699.01 2077.37 2586.42 2304.74 4195.19 3626.84 5500.71 7079.71 4593.98 4054.54 3606.11 9303.36 6935.15 5736.68 6609.3 1383.09 824.54 5219.56 5362.32 4934.44 6352.75 5300.22 6073.14 4982.29 5373.33 4928.8 Hydroxyisocaproic acid 1569.41 752.57 3832.19 7903.07 4554.06 7808.35 2893.82 6128.56 3375.32 4933.51 2397.64 6221.02 4417.05 2039.86 3629.89 1934.92 4880.88 781.11 3035.95 1727.45 4799.67 2458.52 4649.77 2678.1 2426.14 874.03 2469.73 1978.35 4590.67 3701.64 1021.94 2859.36 4556.44 2483.18 3229.8 2984.49 3001.9 1668.7 1655.8 873.36 1252.78 2966.77 3445.78 4170.7 2225.63 2572.52 2444.44 4049.64 3010.87 2732.01 3025.95 2859.01 1845.56 2867.84 3972.15 2951.44 3794.18 3491.05 4637.64 1598.16 2849.36 3823.74 3110.5 11709.66 7319.13 802.2 3905.07 3059.42 3252.67 7260.72 2922.46 2362.3 2558.56 9223.97 10519.26 2407.99 1301.24 1812.38 6780.35 3944.44 2465.59 5337.79 1839.7 763.81 2981.52 3531.03 2170.02 3550.44 3225.84 2119.92 3962.33 4386.44 5072.58 4029.17 4117.39 3632.92 3577.82 4330.13 4115.75 4003.57 2770.14 2686.56 2468.84 2393.45 2566.98 1806.41 2687.67 2698.22 2509.53 13(R)-HODE 7046.78 17132.08 2623.59 7150.41 4968.3 21909.62 29490.56 561.35 18198.29 21159.24 541.39 2179.76 3156.83 13844.94 25107.68 46723.29 17795.54 9852.2 32339.53 11753.06 4324.63 9452.26 13899.35 4323.32 6194.59 8978.76 6825 6053.03 48664.26 3192.15 362.62 10134.84 13006.6 4529.1 3696.4 1215.04 6684.38 7578.57 1916.78 4503.24 5140.61 1522.72 13878.14 788.43 78175.34 14151.12 14539.57 16543.94 5227.83 19978.65 7282.68 27661.21 16675.74 7810.3 1944.12 13857.64 2388.39 1214.2 1272.99 1420.66 13877.32 454.53 22782.83 19068.74 16539.72 1476.04 9425.75 2443.1 11028.13 4853.83 5556.5 44870.61 21609 14193.15 11560.16 15943.53 15924.04 16054.47 16141.88 15669.46 15814.5 15941.82 15759.88 15594.78 (R)-2-Oxo-3-methylpentanoate 96486.02 29104.19 90159.32 162296.01 44142.69 11251.77 75236.34 56418.97 61289.57 25748.91 122455.38 34936.02 85399.58 137954.89 29456.1 53201.8 63399.74 39993.72 13056.32 17975.01 63662.73 6315.12 57570.42 58468.78 18457.96 8667.51 21598.85 45703.66 8406.09 8969.5 16771.2 19085.65 4504.92 59214.58 49420.3 8569.57 53911.53 11273.35 219463.79 25129.39 10234.12 14707.51 55469.48 166230.86 60322.7 105842.18 25009.96 6887.36 27881.92 23750.03 96642.54 105423.79 92193.58 104415.53 137761.53 38836.3 60173.74 59006.32 32801.2 8813.51 102419.32 97971.32 175134.16 57466.75 31871.92 108211.99 53656.22 41748.52 85552.83 92301.57 62102.15 28893.13 212513.19 118439.02 127432.77 73504.89 73376.29 73877.43 73380.82 73587.87 74047.39 73514.16 73353.05 73362.58 2-Aminoheptanedioic acid 23421.44 68509.93 26390.38 50633.35 112126.26 184650.29 101371.03 166406.69 139134.58 119123.44 60815.76 90251.29 154964.9 55891.28 238659.28 139743.16 83191.82 83222.31 16949.96 114929.88 48722.58 572.88 569.51 24845.31 42453.77 53526.36 16252.09 25725.77 7867.56 19319.99 38535.54 1249.43 39747.34 25009.73 22811.75 42746.21 51103.04 12631.22 1282.23 18141.02 59494.4 42156.2 842.97 638.27 54897.7 35642.22 26502.93 4713.04 25294.6 23917.28 40665.74 107203.74 25976.59 18274.38 86754.19 114717.66 25537 1237.23 158030.47 52208.71 10223.38 52436.18 43563.25 105365.82 50882.13 138621.54 5726.09 97567.12 63377.17 90200.76 7461.92 58324.26 6938.27 10313.21 14076.05 64867.84 61741.13 64930.76 61198.28 66783.29 64114.73 64241.42 60800.84 61481.07 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid 43460.62 106713.74 167634.25 99825.65 294524.69 99544.69 97584.74 288451.05 67062.41 36866.31 67135.15 364496.79 314157.24 126052.4 149420.67 210700.42 251646.78 290470.79 467674.65 87697.25 179999.9 165299.88 254109.48 80844.84 136702.21 45984.17 70191.62 33429.64 372509.59 83760.97 31476.49 175959.38 341678.36 204653.07 105949.42 365206.18 151683.12 37506.54 97417.19 40181.12 48757.05 76272.35 189037.06 41710.6 180403.27 102291.86 163645.28 431673.25 234016.92 168480.63 322897.35 495958.66 901195.34 274559.98 438690.48 124380.57 272371.97 29608.4 410782.63 57300.77 460303.14 358741.8 275925.47 551024.38 350930.06 181707.56 87125.36 64208.23 65396.45 422624.16 85520.37 51663.65 214421.49 97625.35 133033.69 223569.08 225052.74 225081.39 224387.16 224043.36 225052.41 224090.11 221433.42 223577.34 cis-3,4',5-Trimethoxy-3'-hydroxystilbene 668776.82 152511.7 7036.36 27828.76 335648.62 129056.85 218104.18 951600.88 1025483.85 579968.42 97645.93 389337.94 152128.72 117064.25 435233.92 232844.25 106097.38 513183.14 533818.8 544492.54 444468.99 61290.66 31875.37 16651.81 437192.58 98887.74 35838.84 161096.5 199008.81 191021.42 523211.76 333337.09 221870.44 22271.79 13230.51 480462.26 269059.52 11862.23 70686.25 29409.55 618150.31 830026.53 33168.11 64390.22 885807.47 93861.65 1006792.38 151118.69 447468.79 550161.22 333807.23 111095.16 39344.67 62386.48 413272.78 129872.7 6937.21 11001.71 460735.26 43130.6 22853.45 33791.05 121495.97 77004.73 157507.2 499307.91 214432.58 325510.94 328107.49 732599.77 669156.81 328644 205012.91 65626.91 79285.29 1944.18 4215.7 2295.05 1333.94 1101.45 1990.5 1957.24 2409.7 1402.07 2265.01 1443.47 2560.62 2626.74 1536.36 2362.79 1998.09 2319.94 1770.05 1828.58 2069.19 2514.69 1800.98 2883.61 2247.9 337624.79 337583.55 335388 339269.89 337122.09 334831.17 335629.42 329009.31 334742.98 Rubiadin 1180.65 2351.87 12778.16 13614.76 9859.83 5835.48 14341.67 2512.56 2095.17 10061.24 4133.65 4298.34 63404.94 1052.46 3370.01 5349.76 31585.44 38197.87 19270.11 13906.27 2632.95 2320.04 1762.25 3222.76 2406.45 2121.93 3491.53 2508.67 41175.4 3178.78 9166.7 20434.98 5011.47 5037.7 6641.85 4201.22 1689.11 1220.67 2863.84 3036.4 7909.22 3714.9 5088.43 8781.32 20480.56 277584.87 588.05 2568.12 113078.59 24320.12 4442.57 17908.83 6650.47 21608.09 10087.58 17523.24 16011.41 6047.05 5161.73 3265.69 4226.24 4594.45 2441.28 2162.31 2684.47 27489.93 1238.01 210031.8 5074.63 2249.84 1736.8 12953.71 3864.09 11553.22 25216.31 16425.09 16284.83 16282.17 16475.77 16485.41 16371.18 16422.74 15895.82 16347.41 9,11-Methanoepoxy PGH2 60352.03 54304.93 1527.13 437.12 57243.93 20104.42 4597.43 148859.27 144937.17 2003.95 1207.78 75484.29 505.16 208.69 143571.19 488.29 209.97 120987.96 4780.88 176407.79 173548.79 7647.65 1579.81 368.03 125058.64 27571.65 405.99 245 63879.38 8464.24 22634.41 7969.28 149127.2 289.09 225.88 78426.03 54587.06 8049.45 322.98 16351.71 7415.96 56116.69 12340.77 16679.01 82298.56 963.69 223288.81 104182.14 4523.93 726.08 18462.02 16171.38 9315.5 17184.39 74037.68 31212.86 165.18 170.98 205755.43 95694.84 677.17 364.56 115425.96 26904.59 596.02 100651.66 169664.19 474.36 51340.37 221542.77 179109.9 924.41 772.95 240.96 2216.83 61713.95 69761.81 62547.9 63340.68 63179.52 61725.3 63049.29 59113.8 61762.94 3-Hydroxy-3-methyloxindole 14682.03 1613195.96 229523.26 349925.23 317446.6 353419.73 372243.39 56107.85 20063.23 846994.94 107472.04 228617.57 835598.42 237080.96 148516.44 155308.64 575873.75 104734.12 276515.22 19267.45 23029.17 3367.78 728411.67 304266.43 83167.18 69570.49 183831.91 34479.87 183592.38 1869.08 7851.01 86479.49 209985.71 607149.61 434316.03 107347.06 67514.84 36172.01 192661.42 267957.97 14354.74 41467.15 383438.01 197430.96 32662.89 180854.97 51636.57 409595.04 140672.72 73348.55 44077.16 2483541.66 488451.56 355295.31 179250.53 753457.78 229535.59 326949.84 114549.01 6610.15 641945.29 2243821.92 182255.68 374711.84 254141.99 319307 109177.29 277291.69 98923.12 88320.58 30661.13 1534051.31 43360.93 826556.81 165148.05 356668.8 357824.77 356411.35 357655.08 357484.04 357815.3 359644.84 354683.73 356408.82 1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone 9138.64 3619.92 3934.07 61471.16 172259.64 183524.61 260639.23 7438.36 6234.22 6061.24 10116.32 7658.87 63857.49 9629.9 2132.49 12193.08 6573.2 8651.45 9814.27 11137.98 4487.35 4340.22 4071.27 4235.65 2734.88 2000.26 1959.44 2913.69 3599.07 2849.09 3151.52 6723.81 449.11 11568.48 4412.04 4982.86 3645.68 1109.64 6124.54 2777.7 72634.55 18837.7 5020.49 6145.73 8722.47 63561.25 4260.56 1339.92 2723.4 9417.72 11335.67 5549.15 6395.92 12104.47 20850.73 690.24 1946.01 5976.02 5229.64 9322.04 4819.52 4851.32 6795.89 7407.38 6159.59 14368.1 4155.05 3857.98 6070.28 5283.95 3319.19 8657.68 2676.95 6883.89 15455.59 73374.52 114327.67 101580.68 113637.97 75406.0 73693.72 63795.37 68479.56 135331.28 105452.29 80266.84 73967.85 43510.01 74687.47 56519.94 90582.14 87544.25 43403.81 75238.65 43634.83 107470.02 50924.6 65780.75 107299.44 26115.28 28816.19 26954.21 27332.74 27170.68 26951.84 27310.03 27276.06 26940.42 26940.18 Fenamidone 11267.75 6306.28 1128.66 2893.72 4463.06 17478.53 10198.65 4109.64 4173.39 12056.7 2142.3 16114.25 9266.89 13322.99 7072.83 4367.18 2102.1 20527.42 12646.67 17356.65 1624.51 6958.97 3325.16 560.13 1743.68 2512.29 1421.7 1243.25 3539.68 4664.22 8811.11 19344.37 712.73 2007.96 729.02 4231.46 1601.38 1908.19 8540.96 664.25 22936.61 18094.96 3704.88 4407.96 27681.31 10496.52 6328.19 3238.03 2637.23 27422.66 8088.87 12398.25 2470.76 5798.54 8412.49 7192.9 1074.21 1870.26 2965.2 7164.96 877.97 1138.36 6967.7 2067.28 2816.42 16161.53 28431.38 3738.35 7358.44 2794.68 2651.82 7516.64 3291.85 2945.51 4331.15 9160.22 9194.72 8685.7 9444.95 9566.08 8987.36 9923.86 8790.04 9551.97 ALLM (Calpain Inhibitor) 2648.92 1652.38 1970.24 2649.15 11119.19 25203.9 752.17 5807.63 34110.68 4092.81 3471.81 9524.42 4133.99 3547.23 41593.31 5801.13 5598.9 13983.85 8729.27 17151.16 7134.3 3499.2 1430.81 1969.2 586.36 10497.99 2658.36 2461.58 6451.96 2916.92 3603.88 3208.47 3323.12 1229.47 1987.82 1929.34 1045.83 595.5 2384.68 2318.14 4840.73 5890.58 2808.42 3537.81 4067.12 4959.25 2473.58 23667.14 3409.11 6969.42 1417.9 2443.89 2632.97 3895.09 1489.38 6530.22 2136.54 3123.21 3890.52 610.38 3104 3023.5 4452.16 4302.58 6561.65 6031.83 24229.03 4410.86 4385.72 4745.34 8802.3 3377.1 5005 7700.53 4880.2 4046.99 3799.14 3793.68 4539.68 3971.64 4136.46 4145.84 3775.95 4203.84 2-phenyl-amino-N6-endo-norbornyladenine 141412.45 109966.41 53500.94 257299.9 811613.45 354443.75 358698.62 178747.83 202721.61 154703.17 156570.34 294031.35 514887.73 114852.17 191472.85 434594.69 137269.02 206429.76 231189.91 180869.46 192016.63 152551.8 97919.62 72781.35 142291.72 110845.54 97475.2 63610.97 216373.52 193704.29 105916.21 313055.56 122880.65 131455.69 100898.53 108632.32 128512.29 36362.82 86610.43 59177.37 207921.67 248799.12 105053.37 103231.81 248472.86 464544.28 143122.12 117456.2 246732.24 351798.27 232105.16 142848.48 138779.68 293969.69 304806.87 137773.63 42094.19 51450.47 256147.93 310994.56 117608.39 174324.01 209735.07 149303.03 112783.42 341311.13 177275.07 145214.56 113246.96 164336.05 129121.14 188111.21 125567.76 167756.42 299435.31 223747.59 222068.51 222537.98 223735.53 223742.54 222552.49 223803.67 217394.31 223591.59 3-Hydroxybenzaldehyde 9540 17569.09 5258.32 4683.72 21308.44 28623.47 24412.58 18619.19 12660.11 13723.39 13497.27 9474.81 29360.8 20809.06 25365 21884.58 19441.73 25011.34 44441.18 11990.42 9004.59 2545.44 11059.04 9532.87 11271.51 17614.88 9817.84 11990.86 14630.77 2465.63 5394.13 15767.65 18348.42 6092.28 13102.14 11367.98 11730.33 6860.79 15256.73 11964.58 11028.32 13894.12 19714.16 26475.32 9121.77 22232.41 12654.48 22854.35 9980.92 21031.33 10950.26 15286.52 21406.76 22909.24 15784.88 23567.72 7574.93 9228.82 15726.88 7001.34 10243.9 6566.62 13367.83 24308.92 20443.66 17159.57 4202.41 25364.21 18030.05 20432.6 21147.96 14661.03 12910.71 19318.98 25232.42 17338.28 17345.3 17340.64 17646.38 17518.48 17460.88 17406.3 17006.67 17561.24 5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide 4313.5 1610.62 362.89 505.35 722.53 2891.79 2320.92 10555.33 27165.83 429.63 205.75 6064.47 575.3 798.91 20124.14 3405.66 188.84 16905.77 1853.77 1052.02 3528.7 655.4 1474.92 544.4 26089.63 5086.92 173.22 1032.75 3814.18 650.88 4380.1 3261.87 240.81 963.41 112.88 5492.29 7190.9 818.09 187.4 316.29 16225.94 21341.87 339.58 929.45 866.11 1707.33 546.95 307.18 3058.36 1832.51 1743.33 1722.91 144.56 222 18149.71 2307.09 356.84 424.57 20665.84 2027.86 111.99 915.2 836.61 171.59 273.09 10492.84 1849.8 1024.79 1237.26 26267.85 8468.03 4398.31 1113.77 243.15 1344.66 7814.37 8283.69 7017.67 7809.25 7810.79 7911.86 7599.73 9537.49 8293.55 Adynerin 16363.2 12069.55 1636.11 1461.9 9554.31 8245.18 2357.72 44815.73 25539.41 6687.31 6390.16 14574.39 2824.71 10075.79 18729.18 6659.27 4662.39 6834.05 16436.22 12270.29 25659.28 14331.36 21719.39 16263.49 28295.3 19918.81 16654.39 16086.08 40199.96 13415.64 17061.43 23342.98 30244.82 15592.53 12765.89 41671.39 23061.26 8409.49 16092 11711.8 8788.85 15492.36 13355.51 5973.96 13644.09 11966.88 19613.56 20309.63 32870.42 18055.36 9935.04 11364.97 11174.72 16122.24 21305.35 9104.43 3204.32 6861.12 19660.74 2293.83 7037.7 12155.37 18698.05 10325.77 9413.75 4227.53 7391.56 20627.25 12197.31 15803.44 30055.68 11210.5 13760.24 6821.24 9497.55 14412.23 12080.86 14322.89 13358.83 13323.43 13111.75 14163.22 13987.76 13087.39 13,14-Dihydro-15-keto prostaglandin F2alpha isopropyl ester 2760.89 9419.15 2266.88 4450.6 10226.63 4157.2 2368.81 2525.01 17918.75 13356.31 4121.65 8570.49 11814.97 11062.16 17421.13 5065.61 11762.71 4008.17 7888.31 7223.02 2217.86 1302.94 463.63 1544.48 676.69 709.3 305.9 1434.39 1356.67 959.99 1010.11 3446.15 1321.18 1701.92 1414.44 638.21 892.23 1328 1088.18 793.2 4921.58 15763.43 2359.93 2089.86 22737.27 6786.61 2630.57 2171.78 2763.27 30010.7 4029.02 2852.34 3284.36 3600.11 2273.72 2216.95 1946.21 2899.11 1749.5 1714.87 3070.68 2778.05 8152.68 3368.07 4699.22 3756.39 9533.45 1961.57 3010.33 6003.85 2979.15 9709.26 3590.73 4854.47 5736.1 6469.83 7073.55 6508.29 6543.31 6699.98 6684.79 6686.03 6633.23 6695.71 6-[(4Ar,8as)-octahydroquinolin-1(2h)-ylsulfonyl]-1,2,3,4-tetrahydroquinoline 484.61 444.84 295.18 6148.57 3936.06 4045.15 3839.19 501.16 865.93 1168.59 828.22 498.17 5707.19 1055.26 776.65 927.12 897.23 1030.02 722.73 289.5 449.87 304.97 318.39 643.13 561.57 741.14 1134.16 568.55 619.82 306.63 352.69 512.99 412.37 742.89 251.35 222.01 183.42 590.55 279.94 438.72 5744.25 711.95 734.77 245.64 1082.8 7668.57 327.9 1011.03 692.95 694.75 2076.71 694.67 1171.54 1076.47 2921.34 496.83 1033.38 322.35 638.76 2059.7 732.9 284.47 319.66 947.13 873.78 836.92 792.81 876.45 295.31 1039.56 470.64 377.52 189.18 774.98 3214.89 2049.3 2023.59 1507.77 2004.8 2149.07 2149.27 2094.67 2067.65 2179.99 15-cyclohexyl pentanor Prostaglandin F2alpha 78714.93 37028.81 3335.24 27515.3 42667.31 34926.61 35140.96 81601.74 108062.11 47644.21 28608.55 103740.53 63231.42 54795.66 48909.56 25807.75 12897.79 40997.65 54844.99 26568.1 112221.16 2571.3 11992.04 39977.27 119229.77 39848.18 37428.44 84396.05 160046.54 124784.98 75695.47 16773.5 17557.98 24931.59 23516.56 79339.11 76066.03 6756.42 19685.8 36617.55 71561.21 76938.15 24425.58 18290.28 67430.18 61720.12 124523.25 54540.14 36223.8 42319.58 73087.76 32153.2 2731.62 35020.35 33335.38 14980.27 6696.37 1901.27 54819.09 2907.92 7392.46 18118.79 16393.4 2521.37 4118.96 51490.58 62716.61 70812.42 50939.28 69398.08 65691.9 25825.32 30569.99 26583.9 39200.41 39692.63 42144.95 42937.13 42155.06 42129.35 42303.36 42699.53 42950.23 44499.55 2-Hydroxyethanesulfonic acid;6-methyl-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione 8657.57 7521.95 1327.59 9445.71 14843.35 38706.79 10495.17 12386.28 1087.82 809.29 6306.86 15795.78 2385.25 1703.6 6896.69 9989.83 8483.49 9805.54 10702.46 5287.79 7986.48 9236.72 8141.94 3537.95 968.73 3943.22 5891.75 2773.76 5407.21 6297.73 486.32 7056.56 2131.31 43131.09 7871.94 3704.27 4270.74 1512.88 1342.94 1769.79 11730.96 13839.91 2340.85 3885.29 13574.21 8168.93 10361.07 3082.08 8041.54 9908.55 15639.77 10823.64 8234.69 7652.8 14262.45 493.32 8528.94 7080.83 10097.12 126917.87 11731.86 7604.66 8125.75 3622.65 6834.97 11099 12255.55 2308.74 872.87 2400.62 14650.88 5632.19 6024.8 14310.16 5162.23 10201.87 9938.02 10106.1 11516.59 10609.06 10121.73 9626.85 10509.27 10654.23 3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid 22676.54 22187.52 12646.25 16895.7 3689.39 28388.81 4328.34 9516.65 4847.5 31762.04 24457.72 8476.55 12832.24 20477.35 7837.24 5965.16 6365.98 5931.86 6387.7 1523.13 2470.43 23892.02 20163.11 13802.85 5736.62 8499.93 10439.34 14444.11 21830.37 2229.28 3515 4267.73 11337.89 15667.27 11370.6 5568.91 5659.31 6158.87 21284.41 9419.41 2025.96 40482.57 17654.2 13902.48 23573.36 21905.28 8268.93 8375.95 4739.22 21499.05 3816.26 14461.1 17978.04 18924.62 8921.42 6126.84 12995.45 13107.56 3597.42 14264.77 21189.95 24178.56 14721.69 15165.47 8281.52 5915.85 4317.69 13922.03 20883.53 8323.03 26358.94 26461.56 17082.4 16488.29 15206.21 18797.16 19215.95 18513.42 18913.47 18462.05 21546.12 18548.12 18239.57 18058.16 CAY-10573 3437.43 1345.72 1158.22 1268.2 7610.08 3662.14 439.58 11715.28 13847.88 1366.01 1319.55 5859.81 2028.04 2040.34 8503.49 642.7 1399.83 19381.18 2603.41 26387.55 8293.55 824.25 814.38 7701.77 467.53 3920.76 1116.38 1155.02 18203.82 2740.12 4862.39 2351.54 7477.29 2520.39 6312.23 7746.72 6415.19 722.07 1596.35 966.75 24101.08 11604 1354.75 2314.23 5080.33 2253.49 14215.29 2615.94 5247.86 2504.97 5473.04 1758.32 1572.63 1626.52 3668.38 4299.88 504.23 500.21 9725.1 670.44 2400.39 655.1 3211 1723.4 546.62 2015.75 3326.49 3448.41 2404.37 11435.99 2781.92 464.03 1345.72 2173.64 1636.34 6654.63 6772.36 6844.81 6668.89 6842.18 6766.3 6860.55 6654.83 6330.61 4,4'-(2-Methylpropylidene)bisphenol 170619.75 103025.83 28562.44 52770.06 172365.04 119121.63 106890.7 235447.33 229017.36 157282.63 114669.79 185684.75 107653.95 110242.46 205646.92 152498.1 97551.41 208143.2 174873.6 286756.52 170252.33 57307.35 55718.7 58914.46 162284.99 110683.38 64763.52 120174.61 203756.4 142970.53 164467.95 133392.23 109469.68 52918 45673.83 168979.55 177341.04 33037.37 99929.39 76842.42 262280.29 268436.22 77042.01 96001.03 227358.59 125914.36 273587.68 135855.8 148838.32 211401.18 160661.02 107024.6 70570.83 97647.7 169283.88 109694.58 29088.27 35163.82 197713.75 67056.23 71971.9 65512.24 116339.47 92157.64 138239.58 203149.22 182893.86 153693.8 164842.47 214832.34 227191.17 165519.11 183824.05 98641.51 129768.89 185607.77 188715.84 187176.06 184021.93 187164.45 190136.56 187177.74 185261.77 185617.03 Estrone glucuronide 15950.82 10254.41 1348.86 9795.2 61973.96 82040.27 38354.13 57054.99 22151.65 1742.83 857.2 16502.78 2490.72 1842.32 28857.95 5610.6 2166.38 18719.92 5877.19 63718.37 64684.14 11794.06 12462.95 2098.24 41165.54 39415.83 1498.54 965.46 7551.3 4234.63 1220.2 14839.47 12272.69 697.36 550.23 15817.97 34034.73 38845.78 39048.28 2867.91 20951.96 76043.7 4783.48 1197.8 46857.65 1172.07 29982.09 32556.65 2314.88 1597.8 29539.96 10331.44 1097.84 835.82 65920.58 7585.25 6318.67 2612.07 84603.06 56544.49 6970.18 10960.1 62112.4 1883.89 657.78 17510.65 25053.6 4184.66 844.49 61860.05 31761.87 92334.15 1004.68 14306.28 16042.27 22818.56 22194.03 17009.18 21775.48 21766.47 22756.26 23708.45 21687.53 22912.5 [6]-Gingerdiol 3,5-diacetate 22231.2 47016.74 4039.43 75837.24 32775.32 112388.82 57594.94 15621.69 23422.3 35225.8 2151.94 31692.09 149717.89 132736.47 62633.46 19491.76 38280.86 47870.63 111515.54 37866.77 11666.47 20892.89 3759.36 9106.7 384.99 5249.27 879.34 1191.36 16860.58 6160.96 13913.6 60679.39 7642.98 7737.3 5233.98 2437.01 833.99 6800.33 2436.61 1033.76 31369.9 28948.7 11688.85 15833.39 33086.3 50259.36 11150.41 19356.2 12034.27 108498.04 10499.13 48326.1 13365.54 21572.75 13043.92 27909.78 7038.39 17670.76 3505.05 4018.89 8767.08 4100.48 14685.58 14503.96 17123.23 28643.52 102001.87 4030.63 16826.31 12985.94 17083.74 29665.65 14384.33 38693.6 22698.63 25704.86 25106.77 26926.62 25580.81 26324.24 26336.67 26310.09 23338.8 26858.86 (S)-Acenocoumarol 14075.22 1648.48 3025.88 998.97 9652.56 5362.62 2327.03 19740.71 22867.88 9726 7359.41 8692.13 6300.58 6332.6 3018.17 4305.88 1860.7 14762.32 7092.91 21613.73 24900.3 4482.96 2097.6 7233.66 25388.35 16988.03 3742.28 6863.29 10776.24 7981.1 21548.7 10364.84 11030.73 7798.49 3541.94 13264.74 17551.02 3735.91 6511.18 1820.69 22551.57 24844.98 2224.46 5590.78 19242.47 9228.51 11782.87 9451.03 10000.24 8575.34 22577.7 19134.11 7667.64 8918.11 10809.42 3863.28 2494.55 2574.57 14148.07 2878.96 4369.97 1401.43 8844.73 4304.93 3456.59 13028.43 17415.51 6422.55 5066 9646.51 13093.01 1372.73 3962.03 4400.75 4606.32 10227.14 9622.06 10000.31 10137.69 10030.45 10099.9 10507.08 10158.79 10027.9 Galbeta1,3GlcNAc 8884.17 9290.43 6503.12 9744.53 9158.06 695.31 13780.2 6948.85 11080.78 3611.15 5045.97 15075.96 10983.48 2211.74 7382.06 9799.34 1495.38 13195.6 10393.83 6973.41 25368.18 7939.65 20826.39 11722.05 10841.4 13467.7 4380.5 26606.74 13870.09 32977.69 10045.48 18220.15 6033.65 27539.86 13986.28 7678.66 12765.79 3823.96 9720.27 17178.25 9339.3 8408.88 8622.84 11878.28 6490.5 28409.08 12264.38 8627.82 19461.32 3936.58 33187.53 13129.94 15787.8 34360.96 17165.47 2102.49 2552.6 5696.4 7525.72 29666.71 5428.12 3831.94 10204.9 20596.23 9924.57 13409.17 17834.87 12182.43 13342.2 5260.32 14401.74 7843.52 8940.4 19693.56 26101.65 41237.4 51235.0 38462.16 41851.1 26442.21 55355.68 60227.75 46950.63 36553.79 38596.63 47319.84 33807.04 43863.01 36596.02 31928.71 36675.92 43629.8 39502.82 36804.11 67922.14 62972.6 57371.37 60190.55 47535.04 53403.45 14896.71 14862.56 14989.95 16189.57 11881.86 14270.98 14250.31 14870.88 14608.28 13,14-dihydro-15(R)-Prostaglandin E1 684.18 333.58 303.79 10949.87 28214.24 32676.27 54863.15 1320.68 582.46 895.66 830.66 1805.14 9402.21 993.43 968.64 2017.42 1446.47 1011.95 1402.33 346.77 677.55 659.2 725.82 531.7 481.08 481.46 421.62 788.31 750.65 712.76 440.28 1104.84 450.52 1081.1 459.77 550.69 323.23 225.2 964.39 470.65 12537.62 1428.92 1577.81 622.9 1446.84 10242.91 472 581.63 428.5 1285.71 1754.7 770.53 681.18 1501.5 3883.68 415.14 492.97 742.06 640.29 1166.49 737.82 2039.91 601.05 880.09 531.49 1352.49 903.87 637.68 2438.25 489.19 497.14 3492.91 1167.97 1431.3 1364.96 4945.77 4700.71 4693.32 5314.34 4697.38 4789.19 4738.67 4684.98 4684.11 Muramic acid 2981.07 2444.83 835.29 6522.6 8400.33 3924.06 13710.9 3019.24 7305.15 2342.09 6005.63 19974.51 8658.19 3769.7 10532.82 8367.16 4736.14 3789.14 1066.58 1738.62 5281.74 2131.58 438.74 1733.11 1533.69 2298.76 1463.19 1529.62 3997.77 218.93 381.52 6781.29 1006.38 1268.95 3951.74 2917.48 1253.93 250.26 2547.68 1360.36 4284.34 260.73 11629.12 4489.82 6374.25 4331.29 5759.06 1993.12 729.28 3863.79 3942.09 6437.14 3514.48 5015.34 10470.88 214.03 581.38 4515.21 4994.06 7021.85 1689.83 3103.16 9922.29 7900.61 7104.24 28673.62 9770.53 4990.43 4453.76 7760.28 5643.65 5176.75 3910.4 15749.38 8594.82 11415 11148.63 11880.74 11532.65 11855.61 11837.38 11843.79 11188.36 12034.39 Lasalocid 23110.82 27671.88 3027.79 29403.92 2236.34 7314.51 686.36 12042.35 17909.31 9441.79 21248.14 8842.86 1193.63 10074.74 43131.14 15027.77 40134.53 30887.73 22837.1 28181.45 15519.64 8413.53 4929.88 2497.51 8418.86 17830.38 6831.01 2955.48 12740.34 37595.32 14051.98 12426.05 37660.61 4595.34 11094.81 6597.69 25577.79 7311.68 12526.55 22458.72 26316.91 1286.78 11382.89 18609.31 14497.56 5105.87 21258.98 23476.17 1399.38 8343.46 11892.35 19670.35 8284.44 5179.25 15977.64 23881.23 16445.56 24030.83 46304.13 46278.09 24055.42 11151.26 23493.96 30698.69 49886.33 7215.74 16881.45 5040.94 16840.52 22288.43 44981.94 34139.5 27076.07 21720.85 20240.41 16420.8 16576.68 15116.93 16524.88 16263.79 16593.97 16272.68 16775.4 16572.51 Pencycuron 3675.95 1216.01 1102.45 1360.35 4109.97 20769.77 5023.05 4421.55 5603.59 2630.87 3099.9 11524.04 9206.32 10829.01 2508.79 2476.94 2429.5 5880.35 6542.46 5705.81 580.23 313.59 866.97 733.81 1932.83 544.9 575.93 512.01 982.94 439.01 3789.2 2983.45 713.18 1168.95 932.24 1341.34 339.05 383.13 780.74 523.67 2132.45 5816.29 744.8 977.04 10558.2 6590.6 3249.03 2721.82 1057.76 10805.96 3639.25 2452.87 1693.75 2569.82 1826.92 478.82 836.31 924.87 584.21 654.75 1773.79 1439.21 2090.84 812.97 1087.86 4980.35 14932.88 3973.33 2592.34 991.92 3324.92 2721.09 3363.25 2714.41 4083.62 2821.11 3998.71 3800.02 3826.74 4107.29 3997.08 3498.19 4111.91 4007.51 Isoferulic acid 9701.26 13306.69 1375.63 6581.83 2910.13 10471.34 6047.33 4522.25 6511.99 5087.56 3069.74 8617.49 13980.67 14935.87 18409.02 3110.82 8818.37 44351.25 13047.72 32101.92 633.64 1675.97 940.41 1163.18 1783.11 3121.16 733.16 623.25 9657.17 3159.07 15691.92 22066.33 2543.05 373.08 957.9 3415.79 1366.32 1752.14 1030.14 499.71 22668.56 14620.99 3490.88 2808.24 29203.51 11182.01 15102.91 6662.91 6438.86 28585.42 4160.4 16363.73 4641.21 9342.23 7212.99 17831.86 2164.79 1550.89 1533.12 3535.19 4535.04 707.99 7105.02 2242.59 7795.48 15302.7 15460.74 3503.01 7513.09 3574.1 2982.4 1063.81 1648.78 4959.56 5292.94 12262.27 12395.48 12220.12 12252.91 11918.62 11905.47 11514.91 11915.63 11870.82 3-Oxocholic acid 291352.02 26351.99 38176.81 22654.51 265760.87 6746.02 8291.55 137594.34 94582.64 69431.11 76373.09 57341.67 114438.42 72342.93 130327.52 62099.31 29499.37 87664.92 201125.64 129253.18 39377.28 19551.22 61984.62 50560.68 312252.91 28929.52 74485.86 88121.22 70001.79 30899.55 41643.13 103503.74 33009.93 59776.95 24282.59 164220.35 119484.19 1725.43 74388.1 24487.7 12018.3 97314.88 112814.84 40971.45 182711.26 44338.99 62274.98 22594.96 174356.17 269700.51 187823.6 29509.04 110616.79 44613.84 101117.22 30856.26 39117.03 20009.7 75467.6 9766.8 151898.86 103462.51 169292.35 72786.92 89757.17 57321.33 36410.89 70693.15 60245.08 132888.78 271400.77 44028.99 115306.06 47227.95 96085.4 101846.31 98016.56 93334.44 97900.2 97411.46 93404.36 93655.37 93826.86 82775.19 Carboprostacyclin 28669.98 11577.33 614.44 8659.96 32602.37 1269.1 638.21 88049.89 90415.1 4923.99 435.66 40611.35 712.49 589.75 92011.04 5306.45 1395.17 24417.36 1519.41 40193.57 72041.4 17664.97 2565.55 464.63 51059.58 39550.64 1180.25 410.87 1851.54 14704.25 87063.78 82830.42 53768.55 560.69 6967.83 44257 24156.57 4018.72 346.71 5090.24 46209.21 74550.23 1124.81 1055.45 190411.21 14977.89 60027.77 46722.72 7470.77 581.4 13444.91 35070.91 729.32 911.38 81650.18 34926.53 4381.23 487.98 139720.65 51466.87 2619.4 8147.37 158087.04 3273.87 1157.92 51262.24 28442.11 2762.36 16714.51 45550.94 29196.23 436.88 641.72 751.64 1645.93 29668.5 26099.92 29649.21 28987.21 30664.62 29527.32 29640.52 28901.87 29402.01 Ponasterone A 25750.03 6815.13 912.26 322.03 47178.59 11919.86 1139.74 59780.49 63236.25 2879.41 2084.76 32113.52 2967.89 877.51 47929.6 5934.95 599.38 36210.14 5775.02 18144.09 36938.06 5243.82 1725.5 6067.24 61839.14 43477.46 2137.98 744.72 13567.01 4448.76 44940.8 36942.43 18472.56 1104.27 665.05 33795.1 21737.19 3223.85 7760.55 272.6 43215.74 56244.64 2842.21 788.77 75660.97 1053.63 80943.31 43970.18 8366.84 2829.96 47914.52 37810.96 567.21 2691.17 62196.89 33874.79 370.91 296.17 74916.99 24468.46 1378 4326.06 44018.38 2337.14 12657.56 34341.42 43202.11 1814.35 1029.42 48353.62 41615.77 3603.17 1372.3 1714.5 1540.32 30804.8 30962.82 30991.26 30988.35 31147.38 30815.11 31992.19 31158.39 30705.18 Secoisolariciresinol 2407.56 2593.99 1236.77 8254.8 3875.62 6308.18 8202.06 4370.4 7190.94 3781.75 2820.96 12179.42 8981.87 10122.62 6625.66 8727.1 5951.06 2875.44 11715.72 9750.57 3252.83 2241.49 5667.47 5978.62 2384.01 2628.81 4941.4 4345.48 3387.91 6157.92 3445.47 11406.87 2428.99 2659.54 2706.99 1310.89 791.85 765.07 2906.97 2511.82 5030.33 3397.5 6959.36 5542.48 6638.24 11709.86 8399.53 6173.2 5090.63 13050.99 1288.7 3154.21 6221.87 4587.44 4608.23 2882.62 4496.98 5584.56 1288.34 2024.67 7366.57 4944.03 3395.1 7082.72 6157.43 2977.59 4349.89 7560.24 9368.57 3949.1 4936.46 9132.09 10622.88 11839.1 11951.27 5270.28 6589.13 6520.5 6732.02 7409.4 6490.15 6978.08 6919.85 6767.9 3-Decyl-5,5'-diphenyl-2-thioxo-4-imidazolidinone 65323.3 109529.39 4541.19 88704.85 98730.7 66750.63 54852.48 42868.24 45960.21 31756.15 4024.9 92765.46 200377.07 183400.76 296835.05 46578.55 83078.08 324977.19 294467.64 306803.8 13734.53 3739.43 2928.47 17494.26 2982.84 5792.16 570.28 1223.57 54912.83 21145.48 78315.59 110177.62 604.15 1335.48 1877.24 5336.07 4237.33 5566.74 788.8 2159.42 413498.26 133824.02 14013 19538.88 156767.39 43497.85 76126.68 32049.3 8828.68 107506.02 11471.8 65370.57 9558.29 12765.61 46690.99 75276.32 2234.21 21551.88 10749.62 21789.35 9476.89 4062.41 29498.79 5472.31 18545.87 126355.14 328064.05 29252.95 87711.88 21593.93 15385.09 13732.91 3884.66 41856.38 17787.75 46190.42 47346.87 48263.36 47607.3 47227.96 53234.49 47902.77 41960.56 46319.63 Cloprostenol 15861.65 40160.6 4030.71 8187.59 16872.08 19997.72 11995.91 1596.63 18521.4 5408.54 7108.66 10581.11 3560.75 5283.23 67494.22 10559.15 974.17 3876.92 8147.88 27248.87 8280.14 1184.25 6197.76 2044.28 12848.24 21930.78 3358.03 3168.51 1109.95 5136.6 2318.52 5952.11 56005.76 4508.02 3600.77 7185.91 25119.25 5047.56 936.9 5927.14 15158.64 7363.73 1007.23 4449.52 2232 6541.97 1956.81 2864.77 3683.9 9389.37 6771.39 17774.84 6536.89 609.78 12003.49 33069.14 5396.68 656.55 32793.39 13161.86 5469.61 722.74 55524.62 7729.71 3286.86 9247.65 42005.79 4606.83 6030.85 20618 53980.23 2873.97 1334.74 2962.59 8182.76 5152.1 5117.41 5773.56 3131.1 4922.9 4803.9 5177.77 5130.58 4749.4 [10]-Dehydrogingerdione 149169.81 163546.62 11907.53 217942.33 127581.29 165148.56 301701.41 152198.1 167291.11 207952 95963.09 358864.74 810226.51 1558398.36 468292.83 95180.92 135018.04 335962.8 512799.34 219306.03 38301.45 31359.81 27316.35 30611.42 11808.62 77549.45 4667.27 15163.45 155262.78 58573.52 128445.35 769981.92 16477.31 48883.95 40983.73 26962.83 10783.34 18218.53 30700.97 18274.76 869089.7 272202.87 82806.06 155656.86 627160.06 230639.33 71851.87 70710.17 107571.54 788180.92 73217.91 243192.62 103085.17 141510.7 84865.86 114312.19 15487.56 33267.98 35976.42 50414.06 30456.76 33419.11 104590.32 90015.72 116820.74 270790.53 358168.73 87015.89 162250.69 41399.31 78053.64 220920.87 123664.34 107922.85 128142.15 155913.31 159692.07 157291.75 155433.41 159517.63 156182.08 159553.1 149626.48 159690.94 6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) 1032.24 1316.34 3155.83 1572.85 7688.47 38318.75 25286 1554.14 2969.61 18968.28 22794.79 1362.83 3297.92 1141.41 2550.97 1262.43 776.13 2133.87 2567.18 811.51 1126.14 10956.27 11188.68 8851.52 383.78 989.75 5399.18 7300.18 2111.3 1300.96 982.04 2216.32 690.87 11245.76 8091 1673.05 749.85 4283.45 13799.77 6669.11 1246.11 1121.08 866.83 655.79 1312.62 6240.4 3465.41 1048.95 3857.4 2548.56 1772.28 1811.22 479.81 4729.83 1653.65 1465.43 422.97 1226.25 2123.06 14234.78 15306.97 13758.46 604.44 1139.28 826.83 2961.91 2782.92 2149.49 1003.15 2811.07 1658.69 605.91 844.1 922.6 1365.9 7949.84 7691.15 7524.99 7976.4 7603.49 7641.93 7616.46 6309.87 7934.09 R-1 Methanandamide Phosphate 7938.2 21658.18 1261.57 2534.8 16886.06 2505.81 4555.62 8653.62 16112.25 1633.91 6401.84 7898.87 4064.37 734.74 17387.1 5441.1 2177.57 8071.79 1208.99 4127.63 7906.51 1324.88 1867.37 1746.37 4102.73 5399.5 1767.2 2057.81 4614.45 5040.49 2098.2 4615.8 13712.82 2513.48 1378.43 3658.38 7945.83 1752.29 2451.56 1798.25 7602.97 4082.23 4710.09 845.96 8056.7 4348.84 7322.99 2369.03 851.17 2809.27 9401.03 7787.68 3266.6 939.56 11836.33 8530.87 5436.54 2342.86 12296.12 5983.62 2533.3 1940.62 21304.79 2829.39 1171.51 10038.95 24260.67 3447.77 2178.85 17096.03 25078.8 939.81 693.88 4014.54 3141.47 8699.99 8031.4 8489.31 8354.9 8188.51 7742.63 8926.32 8538.24 8354.06 Carboprost methyl 3054.99 6080.85 2048.38 4358.44 24207.11 5832.74 5440.43 5722.82 8171.52 15743.89 6649.74 7573.66 11045.52 42461.69 17269.97 7525.02 10534.09 16395.35 37308.8 34727.12 2140.15 1693.12 764.32 1038.33 373.62 780.6 413.38 339.86 1884.09 601.54 5026.3 2253.86 942.8 1541.44 1428.74 786.65 600.05 1631.96 3228.55 690.17 20272.78 11379.22 2723.6 3423.55 18703.91 19697.27 8296.9 5502.48 4284.07 36170.86 8512.78 6710.71 4087.33 3021.97 2148.38 5566.2 1867.75 2268.68 1511.3 3284.42 3532.92 3477.01 3601.57 2138.23 12247.29 6959.04 16718.64 4272.92 3416.32 2392.7 5201.7 8587.99 3534.38 7199.19 19729.88 9679.64 10910.3 10259.3 10383.06 11459.41 11154.26 11122.26 13903.39 10070.62 Dihydrophaseic acid 33992.59 53283.36 18853.45 28207.97 46249.35 65855.81 73682.37 44886.64 61320.89 47208.94 31308.7 30326.63 43357.22 21911.19 79983.35 73503.88 30117.21 41858.97 64801.92 37146.68 27144.91 45629.81 28159.62 18642.23 29532.13 34120.95 16995.15 20517.48 56331.69 10728.38 66668.98 25513.57 24589.5 26781.6 30671.22 29625.07 30951.11 14311.72 50011.57 14436.89 38622.75 142529.33 30727.94 28950.96 46412.61 28792.18 40321.07 25068.76 20935.76 34211.92 36743.95 36401.37 32086.95 31972.77 39508.54 39539.59 34708.25 18555.64 63820.83 37644.45 25146.84 57449.45 59018.4 56045.9 26729.37 53662.06 72033.39 35126.56 30219.08 38429.58 34686.12 49242.68 24879.39 28855.03 34018.82 38370.84 37915.42 38371.9 38552.84 38373.22 38941.3 38204.64 38203.22 38145.22 Cannabidiolic acid 1821.21 37153.17 9935.4 19825.49 68328.19 329412.35 336962.48 53263.99 90320.68 123610.53 30646.34 76473.46 205489.53 346972.86 305695.94 99505.7 132274.84 201974.29 165737.25 70276.79 6500.11 4653.81 1543.86 2278.96 525.24 1807.9 386.71 533.89 3520.47 1443.97 21973.18 13641.22 2515.53 6488.19 1566.03 1206.72 617.31 1200.57 350.05 1630.74 44477.17 101333.74 19940.82 4710.41 99439.09 83462.52 120848.33 51092.05 23011.45 185790.32 88732.44 26300.82 20650.91 8998.66 8736.05 32566.78 8209.67 10207.41 6828.98 8500.47 24301.57 17039.85 23884.74 60996.04 28846.86 63085.2 124687.34 48657.54 45573.49 17265.34 56003.18 60540.55 47771.44 112858.4 84911.98 117011.15 123162.58 140860.17 154146.48 141655.79 142853.69 140405.24 120849.19 139440.39 1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine 1811.68 3149.82 1077.57 1240.56 1953.62 1791.51 1520.8 6424.69 4949.67 972.22 1146.76 632.63 431.5 1137.42 2188.11 1231.46 983.79 3068.12 924.96 3726.97 397.43 1051.45 674.49 534.45 1059.5 1475.92 467.15 698.99 738.47 2208.95 1240.25 1837.59 922.77 397.11 700.85 1245.46 446.01 641.97 702.88 737.05 3038.3 692.99 598.99 759.55 4559.48 1370.48 3955.68 733.72 471.71 1336.14 558.96 1750.35 2161.76 776.13 1882.77 623.93 1741.98 4427.62 3688.1 2699.62 782.25 487.26 2774.76 1482.05 3004.6 743.21 2485.99 557.77 377.87 2331.12 1077.33 491.45 1159.7 1275.95 1110.54 1737.32 859.98 1677.62 1483.01 1607.01 1305.08 1480.34 1876.31 1618.84 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid 11575.26 9255.2 536.56 2192.82 19259.11 15599.07 4518.09 21171.73 22614.69 11405.45 4497.93 7582.32 8305.18 2711.89 18508.56 4675.56 1737.43 9401.59 9284.87 10688.68 12122.87 3961.29 2856.81 854.09 9982.53 6856.45 792.16 1600.21 5285.52 2857.38 3660.78 2795.12 6246.49 3414.3 776.16 4774.95 9492.31 1250.85 1924.06 545.61 9454.95 20516.82 1206.84 2681.5 10070.08 6683.98 10894.37 5375.2 2621.28 8724.01 11414.95 13464.59 3328.36 4057.58 12302.05 10887.6 2106.57 995.12 17318.84 8520.23 736.3 3870.43 8921.53 3691.41 2546.41 22455.52 17970.16 4699.74 4737.55 17141.96 17148.21 10987.07 4438.51 4397.91 5053.73 11004.65 12109.36 11443.64 11384.25 11385.48 11206.13 11429.92 10927.92 11310.05 Baccatin III 19200.76 1111.09 369.95 203.77 4656.38 334.91 2650.8 40279.98 23816.38 6368.24 1693.57 15701.77 3174.73 11657.3 1619.25 1428.53 3738.82 31190.19 12737.91 24212.4 18849.77 564.66 1728 1840.49 24969.38 2591.31 1143.3 10294.38 38678.76 22395.27 18841.6 16362.33 1880.59 220.17 227.51 32392.37 22357.55 295.55 2410.16 2374.47 4474.59 27930.92 423.52 2026.08 41816.94 1525.46 37626.95 3150.86 37961.32 20684.04 25869.33 2624.7 375.16 2451.81 13441.09 2060.84 1807.96 370.56 19070.66 190.25 237.39 213.59 462.07 442.45 4478.76 4770.12 3416.25 9639.09 9170.24 20482.99 11176.93 9624.29 16945.44 864.29 426.53 3460.84 2053.85 2974.77 3217.4 3160.84 2821.22 2349.37 2272.67 2879.16 3028.19 1449.53 2815.35 2999.32 2922.04 2576.46 1647.23 1520.1 3144.32 2771.9 2105.09 3241.49 2412.96 1647.24 2470.17 2558.28 12804.92 13701.2 13447.86 13244.14 13679.98 13678.14 12937.72 13130.46 13742.68 16-phenoxy tetranor Prostaglandin F2alpha 31238.86 70519.75 5211.55 67339.39 77972.35 82492.09 59765.34 39185.54 34769.79 25110.06 15068.97 82937.09 187004.39 215429.1 172923.86 39279.2 90416.07 246858.49 235059.81 242625.43 9749.13 5110.35 3001.59 9190 1875.08 4089.5 415.39 1954.63 41608.2 14778.71 43544.66 128323.41 12445.12 597.31 5708.1 6337.5 1190.17 4570.25 697.36 2836.12 195064.59 73083.45 19628.59 17784.89 278730.2 84686.01 76953.12 21245.5 8446.25 271645.46 28612.76 36035.89 10830.49 27081.97 44708.56 46211.84 3285.57 16989.22 9900.97 12448.81 14054.85 9879.22 24340.7 12672.2 27899.02 67287.78 158181.78 29822.55 35755.45 7056.1 21144.77 56719.2 13292.22 65420.5 27873.18 40717.65 49173.89 51738.98 50762.74 51764.18 51442.93 52106.65 51938.44 49241.93 Zearalenone 5447.4 5280.01 8761.94 21078.05 5707.03 18878.03 14873.44 7693.53 11502.15 11351.26 23006.84 28128.72 41101.45 39909.11 4546.62 20545.69 12695.01 16041.74 23608.34 15193.41 4092.08 3313.11 9282.63 5191.53 1518.53 2796.15 2254.63 14886.83 9108.28 19012.83 6192.61 41925.3 4242.66 3247.45 6499.37 8104.61 3315.7 907.4 11478.79 4604.84 3569.3 5607.08 15822.13 13967.34 8805.77 26017.14 11473.64 23400.03 17439.89 84978.43 3754.61 8126.17 24579.47 26754.11 2020.63 5105.74 6016.88 9780.58 5180.98 3254.15 6774.19 11836.74 5778.56 16890.13 11504.74 1950.18 5390.25 23296.5 23781.59 6390.63 9746.19 10979.43 27515.6 22882.64 25287.06 15261.76 14855.47 14664.23 15207.64 15039.5 14626.87 15274.47 11871.28 14606.96 Hycanthone 61001.04 54640.56 21148.48 33291.1 95978.85 216471.06 94465.83 94689.04 105311.6 78693.24 58584.81 79645.83 66939.78 46721.08 102734.18 68002.63 38658.73 81137.81 80869.82 10622.44 56611.8 45376.68 35055.45 23752.53 41387.46 41713.11 19520.22 24153.12 64381.56 26347.14 40951.26 30446.79 33491.47 29058.87 22479.86 36450.7 48714.26 13019.11 42621.51 15795.09 131672.68 104893.45 41876.49 40991.77 131826.99 71146.19 132046.65 48898.7 30511.55 91933.24 54662.05 67196.33 45441.27 42346.34 56965.78 62092.09 25559.47 23636.02 85306.11 63536.93 40052.33 46584.4 80013.83 51057.87 47763.82 98813.78 120262.24 48886.78 46620.94 81186.09 111297.69 90392.64 48037.74 74402.28 84003.79 103790.94 105638.8 105674.09 105656.16 104754.21 105631.36 104740.68 104739.4 104761.85 6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-(pentyl-5,5,5-D3)-6H-dibenzo(b,D)pyran-9-carboxylic acid, (6aR,10aR)- 31477.2 34702.95 2824.36 46412.16 27468.07 39508.64 64545.75 32766.39 35318.39 44373.94 20195.04 76093.96 170399.08 326555.64 97301.45 20193.04 28568.52 70212.3 109043.95 46287.81 8215.22 6789.11 6120.44 7691.22 2571.8 16537.1 639.6 3707.61 33340.37 12595.2 27843.43 161175 3697.1 10655.5 9090.01 5922.86 2477.91 4473.16 7024.63 3730.49 183261.05 58077.7 17765.64 30544.75 134362.65 49232.65 15051.79 15343.86 22992.66 162882.79 14850.62 51511.2 22402.48 30330.43 17947.18 23805.24 3593.15 7291.06 7833.58 10938.69 7619.47 7588.17 21874.27 18505.04 24756.97 57011.79 76291.52 18401.68 33709.5 9238.11 17075.85 41702.08 24972.65 23467.69 27297.89 33041.64 33789.45 33462.43 33075.6 33862.67 33204.52 33764.33 31028.61 33795.16 2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl)-3-methylbutyl]benzene-1,3-dicarbaldehyde 4280.72 14494.7 4843.65 1446.02 6714.88 5577.42 18564.55 3066.93 8480.74 15145.82 7364.53 12757.17 19549.65 40955.78 26858.79 5273.69 12100.53 4876.55 24670.47 3538.11 3544.03 2602.64 2138.41 878.34 967.92 1336.47 1364.8 487.44 1956.2 5341.27 1200.79 1672.09 631.48 3333.69 1330.78 651.95 1369.47 5468.49 436.95 2839.79 14534.85 5481.01 9684.85 3590.46 11143.79 28943.44 3768.26 5703.22 1482.43 4081.92 12306.9 4642.6 3091.93 4119.7 8961.1 9692.57 5672.36 3205.07 1916.4 9753.64 1747 4109.9 3160.85 4220.13 3543.42 2759.11 20351.38 4248.2 10521.86 4047.04 11299.4 5578.24 2600.6 6435.57 6073.91 8242.04 8003.22 7809.99 8505.4 7903.13 8369.91 8368 7682.24 7733.33 Oleaside A 562.21 4777.35 1560.35 583.64 849.83 7927.41 2193.85 1020.26 3892.34 1810.63 593.99 611.96 1980.04 1534.42 7536.99 2356.83 294.53 7895.54 8421.67 11010.45 2554.29 10751.2 1637.1 581.86 921.45 5405.11 699.77 659.16 6716.27 368.52 3930.45 669.46 6823.78 703.62 359.81 1286.53 2098.72 861.63 1021.53 302.14 4916.87 936.65 4147.72 623.91 4403.92 2061.27 10464.29 2354.03 419.62 4730.11 1739.54 5281.79 1836.84 1352.5 1233.05 8920.99 722.67 3476.61 5024.45 871.71 1727.83 1590.37 7104.05 5056.91 4692.47 1610.78 6599.59 1970.7 2403.4 5962.05 4834.65 5165.39 2120.08 3707.02 2124.45 4243.74 5037.24 4031.7 4110.94 4106.3 4366.5 4341.65 4117.38 4021.71 Salvinorin A 27079.22 35472.86 47050.41 23343.98 9184.35 19464.32 12489.72 20352.64 22852.88 70155.18 26488.46 83710.05 61926.15 74758.45 114841.56 65852.6 67028.05 62905.6 80380.95 56313.6 15546.98 72885.77 89158.46 51394.82 21712.88 37246.56 35404.3 32435.42 32677.37 56319.76 109005.09 96874.71 24573.79 96625.83 14767.72 23354.9 30709.42 21077.45 84678.45 35374.27 29770.61 16660.93 39282.38 62738.19 92195.31 73171.7 40105.36 41542.44 43887.82 163068.04 40554.07 28004.5 58144.65 94280.86 20090.19 35017.92 53847.03 54702.99 10733.41 53528.96 58451.94 102295.97 35902.83 16161.21 76104.49 43059.59 80332.82 54108.94 56238.3 10024.79 35709.73 83368.86 54856.35 67755.61 63892.8 40392.11 41158.41 30399.62 41685.96 42060.25 41229.84 42891.48 44836.75 45034.9 Bilirubin 23923.73 1515.58 634.98 5073.98 9312.07 2737.57 1731.75 4384.44 766.8 3459.41 6324.57 16929.2 7962.66 6508.39 7479.88 10038.37 5149.91 6450.12 12967.91 22896.34 5028.67 4699.63 2933.48 2078.88 2332.25 1540.19 997.5 1534.12 3534.9 6221.24 7929.61 6637.73 2549.32 3285.68 3567.44 1425.14 2532.85 2530.1 5651.88 462.82 3787.62 5231.86 7248.03 3522.6 8623.16 4973.94 4760.39 9359.45 1506.25 7039.08 9618.09 1682.52 1504.18 8459.81 8597.16 6488.92 955.27 741 6818.13 4827.61 12690.94 8231.73 6916.7 9976.16 5301.6 5506.29 4631.78 8305.29 3396.58 13263.94 5215.44 4418.87 7645.51 3725.83 1517.7 7497.17 6429.27 5170.1 6403.77 5827.87 5980.7 6558.36 5297.26 5839.59 (R)-Warfarin 27669.98 24785.93 12697.95 16188.14 10939.69 20593.57 8520.17 19413.32 21676.22 28015.49 22607.36 22864.99 12915.55 21802.94 20156.12 16998.9 26072.94 18599.27 16836.27 14471.46 38336.78 24813.47 22847.48 20027.48 39453.1 40225.93 30586.04 41062.85 36812.29 53977.26 40497.02 22478.64 24038.58 20759.92 19530.25 43599.25 41729.19 22705.56 29787.56 32596.49 23155.21 25501.71 21014.47 25402.9 18481.45 18385.86 22383.52 25452.14 39440.25 20393.27 27157.85 26749.84 19499.32 24819.22 27779.62 20683.15 11507.61 13976.97 18781.66 20069.77 17712.82 18609.96 20249.99 25325.99 25590.64 23333.48 18621.55 33937.99 35667.07 22534.7 24155.41 34924.92 27233.99 17603.58 21254.08 22149.77 21842.91 23446.61 22133.7 22446.81 22158.78 22525.86 22508.66 22394.88 Docetaxal 3378.17 9487 17307.26 6634.27 8358.09 4440.46 11479.01 7998.64 5605 21075.42 23056.39 2050.52 3500.32 9114.37 13334.19 12821.75 72165.41 5088.56 5045.8 1067.1 16168.41 19515.3 1422.57 1314.48 3257.71 12248.48 5255.16 9528.25 7595.03 4411.68 3613.09 2062.54 35423.01 8166.58 5152.92 8699.45 5544.04 9371.38 5607.81 4110.12 11984.66 12335.79 9177.29 24100.38 3406.56 16382.07 11864.53 6024.65 6551.34 14835.1 8025.82 14978.94 12351.86 4327.4 6306.72 11985.17 25445.32 1889.2 17436.18 1695.56 8748.39 3453.95 13146.45 3166.22 11803.95 13220.08 9558.72 13048.23 22497.07 3225.29 6182.54 19019.79 5769.06 10839.44 5688.88 17528.14 19150.05 19434.59 22593.23 20971.57 18997.09 17473.58 13609.59 19566.13 Tyrphostin B48 1027.25 3089.64 963.7 1398.24 2557.39 255.38 434.12 2085.99 4801.06 1051.5 1622.08 1186.41 4107.88 586.83 404.22 2075.85 552.1 7630.97 2748.95 6101.53 1172.82 4709.28 1022.39 1505.51 2593.51 1377.03 626.85 1255.03 5888.05 1630.52 3069.99 1843.19 1527.9 622.74 734.37 1580.16 1708.83 487.02 1531.92 564.2 7768.37 3332.21 1980.88 2672.87 3806.54 4015.55 826.71 1393.92 569.84 4393.74 3439.81 5290.67 1629.76 1061.69 1360.76 2262.6 950.54 1150.11 2184.69 1256.56 1144.49 2139.53 752.52 1278.47 1875.96 3049.26 2410.71 3172.83 1996.83 1460.66 1349.41 632.87 799.97 287.35 1608.49 3445.69 2638.28 3266.4 4172.24 3935.11 3496.27 2952.63 2818.69 3252.13 Parthenin 39559.09 14597.4 8518.18 13048.75 15832.19 20099.17 17595.88 19244.01 15145.97 49554.08 20964.09 57923.83 40122.47 52626.07 16834.73 10459.47 28248.58 21545.36 21750 41927.48 17868.25 18393.68 14442.23 9269.9 16808.12 14689.09 9399.71 12386.73 43735.14 4951.77 14310.4 13514.98 14225.14 11935.6 27584.29 15364.58 49522.95 6687.55 17560.78 5896.81 13499.52 31369.18 18033.14 13698.83 11524.08 18691.52 15508.6 16777.11 9289.92 17070.65 20827.09 84499.71 17058.79 15181.79 16605.83 15997.32 5563.36 8678.22 18119.51 62089.75 13002.46 28708.62 18854.69 13771.89 11697.65 23270.83 18531.15 17362.57 44522.07 18169.29 21248.03 13633.92 30072.14 15246.6 16534.33 21056.62 24106.4 23106.95 24214.43 21302.88 24176.43 22307.08 20797.12 23975.46 Nicotiflorin 2276.26 4832.45 5385.24 5040.51 7794.83 5745.63 7543.15 6423.63 6732.87 4763.01 5331.32 3090.89 8301.2 6713.79 6674.03 9991.97 8291.78 5473.1 6845.05 5860.72 6076.58 4555.52 3592.6 4592.53 3132.3 2743.85 3056.5 3015.14 4802.96 4926.87 5328.62 4026.09 4027.84 6445.96 3388.1 3303.39 4189.31 2669.83 3724.04 3976.88 9645.21 7268.14 5799.43 7824.64 7991.54 8385.97 7615.67 9306.07 5066.49 5265.34 5849.32 6770.22 6313.27 4516.29 5936.86 5133.26 5772.38 6259.83 7207.7 8114.57 7185.87 6340.56 10313.43 5031.15 8715.07 5564.47 9047.1 7854.65 9360.88 6703.02 9067.65 6766.2 5906.93 6319.95 5713.4 7680.07 7459.54 7481.22 7481.82 7545.49 8189.62 7890.3 7661.71 7543.92 Rufloxacin 30856.69 27630.94 7093.91 5229.04 23032.97 9894.7 8650.43 20812.88 53976.26 26422.37 36732.19 29501.7 8790.54 7355.89 36985.13 30243.79 14799.51 45662.62 32952.37 74574.78 27219.86 4999.93 12611.92 15075.6 45626.37 23844.4 6956.37 15166.69 28861.74 13946.81 28027.79 21048.03 19824.23 6238.03 6290.96 22913.52 28174.21 4211.89 19512.87 10058.7 35524.04 52853.55 28231.42 28674.86 40304.21 8576.25 49796.81 25927.96 12521.03 39926.24 19900.64 31613.81 20498.15 15336.22 22633.69 16080.73 4403.16 6793.84 43612.28 6799.15 15812.33 8316.14 22340.51 29024.88 16138.2 49022.44 44950.74 22686.45 35006.85 42176.01 35071.27 22980.41 32248.66 15196.02 17976.46 25703.66 24555.86 24056.66 24849.39 25084.45 24758.78 24022.16 24633.52 23257.41 Radicinin 14444 23092.22 7731.38 15161.77 9451.19 26631.88 3422.93 7246.88 23077.57 2213.47 11636.59 35264.73 64874.22 74405.32 26576.92 26269.13 19422.76 90136.6 36564.9 51891.56 4276.41 2265.44 4658.9 5960.41 3811.81 1750.67 907.42 2336.78 18572.85 16641.29 20932.22 40290.83 1943.26 4744.86 5175.78 15244.35 2290.29 3366.26 7269.65 2181.45 32916.47 25904.03 14214.14 13511.74 81332.21 35931.48 47959.91 19884.83 19289.12 142639.56 24483.24 34153.84 12259.6 27063.32 23689.06 38991.91 2503.12 7529.13 3272.97 7118.68 9236.75 2830.34 38068.99 16530 22479.92 46723.19 61708.92 24544.59 24564.8 3481.73 1852.55 11172.17 5230.6 16425.15 19955.3 39093.47 50105.19 34990.07 36726.93 35905.24 36455.23 43000.28 42118.79 41848.39 Butaprost (free acid form) 18441.1 6728.68 1506.71 4699.96 45602.86 4123.6 6892.4 41679.52 13585.9 3953.47 13857.74 23275.86 7003.6 15902.57 9422.59 10515.22 8211.77 9987.29 25151.87 30159.31 24850.36 3115.71 9367.13 1446.76 8454.64 3022.85 1831.91 1910.29 11327.72 16563.35 1958.56 13981.2 3741.67 7030.04 2570.83 20830.57 20174.32 1925.02 3139.06 1834.49 18442.79 32505.39 1877.72 4007.5 31339.07 8017.82 16251.15 15945.74 11183.1 17362.22 45303.15 17673.63 23063.3 7656.9 33869.1 870.25 799.15 699.27 27242.03 2991.74 7851.19 8069.44 27431.99 21301.65 7529.6 7964.74 844.73 1398.2 2155.96 40397.5 1968.85 1007.6 24181.95 899.16 5653.47 17510.5 17829.63 18044.07 17968.72 17214.03 17937.94 17327.63 17335.97 17180.75 11-deoxy-PGE2 8332.17 8281.34 4439.92 4508.35 14480.42 15405.61 7245.53 13854.22 13341.79 8495.86 3920.19 21237.12 5017.23 6866.33 12811.29 5746.62 6280.69 16307.57 2934.55 2465.86 12909.82 11945.54 6278 4726.12 12551.34 12278.5 4724.99 6019.89 32340.27 1190.67 4953.94 4325.56 9719.9 4263.93 3659.94 9345.75 8095.02 4064.63 4091.87 2716.24 7372.49 16782.53 5155.51 4798.28 47766.84 4493.36 20015.84 27253.23 3292.68 5729.32 16315.42 15492.76 3901.34 5487.81 21172.88 12009.7 3178.22 4849.95 45531.82 9931.5 6346.81 3962.86 15885.74 5614.55 4510.5 15327.99 9663.29 2938.21 4871.85 13342.04 11440.98 6416 3556.41 5434.53 3456.38 11389.47 12250.32 12083.27 12072.85 12156.91 12259.04 11371.94 12108.08 11494.46 (R-(R*,R*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-imidazolidine-4-heptanoic acid 29200.47 43190.24 40631.46 64673.42 41104.39 27969.93 39414.83 47473.6 46841.68 52417.46 40765.42 51018.3 29758.02 40894.19 39957.08 49263.15 59014.59 22689.02 53089.89 18689.66 42650.97 33055.11 26347.79 57937.28 49537.14 23663.62 25500.48 40237.2 51783.59 66410.68 31111.63 20079.87 27030.73 20833.65 36964.91 33134.86 32652.47 26382.17 30882.85 42186.59 36927.15 39990.45 30665.8 47482.93 53261.11 49746.62 54366.62 41299.68 32530.25 41179.95 43391.12 33746.18 41452.73 49333.43 26098.21 26983.22 29725.7 41327.01 46051.11 20575.86 56501.96 42073.28 40338.08 39211 48674.47 36867.16 35943.92 46733.61 38058.08 37708.47 42598.85 55384.41 40908.41 49335.82 52378.03 41442.91 39868.15 32158.82 42359.3 41017.43 39861.06 39584.24 41064.51 40702.39 Quinaprilat 6835.48 3236.79 6877.85 6650.27 5235.31 41536.36 10071.85 6779.83 12180.25 43035.35 11560.92 7395.81 6350.92 2598.11 7016.77 38492.38 284259.73 17791.39 8601.98 26636.47 7288.74 3954.56 7891.44 870.66 2085.04 1172.33 1559.53 3714.31 6439.57 3561.3 8787.39 9806.85 59852.11 5881.45 1774.02 7758.15 1366.14 4512.36 1766.07 1247.05 55041.2 7070.54 1531.27 6700.19 18838.72 22501 27004.88 1270.09 18625.33 13545.68 12164.85 11626.85 9067.21 3694.2 6429.69 15215.62 205145.93 802.07 34351.11 1570.87 6083.32 900.69 4168.98 1343.53 1782.58 7429.54 11818.01 7949.93 8192.17 4500.89 12430.01 8978.7 1200.6 6544.98 1439.64 20090.96 20076.99 20061.75 20052.82 19625.94 20167.83 19594.06 19384.74 19652.08 2-(3-(Trifluoromethyl)benzamido)acetic acid 6423.84 4804.38 1586.53 3162.12 12125.63 3714.65 5859.02 10625.88 10622.45 6714.27 10356.01 10240.31 9514.18 12242.66 13021.63 11652.58 8658.39 16824.99 8688.11 11570.22 6806.11 2545.19 2647.67 3649.94 4769.02 3940.48 1580.55 4171.89 6603.91 2892.75 3900.12 5536.67 2815.6 2610.09 5167.31 5773.16 6997.93 1205.03 5656.37 1833.83 14948.71 11433.67 9305.13 5595.38 16782.91 4608.53 11768.83 6217.73 4054.27 13910.1 6773.3 9964.07 6748.31 8640.84 7844.03 8041.27 1972.72 2692.45 15219.36 7519.86 3582.56 3523.28 7664.43 5366.33 6804.07 8352.58 14749.12 5847.51 13274.38 12104.77 6963.97 3121.88 5518.72 5414.03 6822.47 9907.15 9651.04 9612.86 9615.45 10134.45 9883.82 9893.26 9653.25 9205.46 1-Pentyl-2-methyl-3-(1-naphthoyl)indole 138.91 242.46 288.02 6746.77 13477.92 20685.35 22174.16 60.63 119.82 236.96 427.35 483.15 2219.78 93.69 866.95 2528.84 545.89 137.69 386.36 187.47 243.77 82.1 133.64 66.2 165.6 253.93 162.11 131.09 148.81 180.54 159.86 515.14 426.45 130.03 68.5 135.85 90.99 130.72 254.61 162.85 9136.31 842.03 117.48 159.44 687.32 5563.42 466.89 91.25 167.34 329.07 220.28 515.71 153.26 672.07 1165.62 119.53 89.7 67.22 311.75 1741.02 67.83 1241.06 96.38 163.53 64.57 777.49 127.72 205.16 164.69 383.59 254.67 260.34 161.04 447.27 1524.01 2647.67 2730.91 2864.3 2581.94 2623.01 2657.29 2720.72 2608.46 2590.25 15(R)-15-methyl Prostaglandin A2 1581.54 10784.38 10852.95 435.55 41614.19 47600.41 19213.55 105767.57 73068.92 57346.71 24686.8 39266.76 26588.49 96951.82 51344.46 38375.87 61915.83 23343.72 68874.19 56719.44 6114.45 5006.88 2627.62 3551.58 879.47 1184.63 885.66 970.73 1824.67 2131.82 16861.22 2455.58 1823.54 1415.93 6080.19 724.2 953.64 221.55 317.52 2803.61 3651.07 19752.84 10705.82 10862.14 63598.63 36903.13 33550.63 17495.23 16374.92 47512.99 67752.16 2008.91 13350.12 7981.22 6265.76 495.8 7447.94 7513.69 3328.53 44026.57 3159.33 12545.96 37195.75 18280.48 23833.62 469.89 42529.14 42158.05 7301.87 15854.98 27259.57 20991.57 45321.04 9433.78 55062.02 22056.97 37131.51 37977.73 37370.24 37554.84 36004.62 37882.18 37619.67 32725.77 3alpha-Hydroxy-5beta-pregnane-20-one sulfate 6523.77 4724.17 8322.98 10589.52 8272.35 38563.09 3693.09 24471.39 14597.34 13391.24 7432.69 15990.02 20330.98 22176.06 36636.59 26219.24 2263.8 17846.99 34652.77 10245.25 6363.83 16253 8925.97 9697.26 9493.88 6491.4 896.03 5568.19 8853.65 16491.71 6992 18360.53 9275.79 4133.36 3496.49 12219.72 10877.14 1175.08 8508.5 4127.17 14059.66 5269.38 10950.12 8475.45 3981.31 13698.91 19165.23 33573.61 23591.55 24168.64 14547.14 11346.06 6109.55 11088.05 9726.29 10607.53 719.99 6004.76 16681.44 6574.15 13596.89 9185.18 7843.45 13343.31 17145.02 14598.23 56831.58 12864.28 18397.38 16915.4 11171.04 19092.65 27079.1 19779.49 15123.85 22352.49 24663.81 25766.59 23895.05 25407.47 26215.86 27185.45 23213.05 24227.39 O-2545(hydrochloride) 70464.06 67085.49 19644.83 18416.04 22687.86 2409.68 3659.51 76192.9 55814.98 26715.41 61882.1 56457.72 72871.85 76162.22 54655.15 16594.53 47568.9 49622.38 87324.74 12811.69 54976.26 19993.01 81094.59 56576.3 68517.5 66629.83 65493.14 39469.57 61365.9 10947.9 29706.15 50664.9 35601.62 78451.18 55644.62 205728.13 111286.44 25114.92 66843.07 36734.48 5034.92 27738.75 71159.78 48478.11 75924.37 5785.12 51142.29 75079.09 145337.71 30252.39 120102.6 80058.87 163860.89 75477.29 60073.08 62153.06 65886.29 17438.56 58492.47 36248.72 142356.95 119832.5 99246.09 64642.8 55597.03 78758.08 15526.42 53013.11 59878.52 101394.72 62963.69 61267.68 79904.67 20010.92 66305.63 1586.72 873.37 954.01 1259.83 1385.51 1885.22 931.7 1161.62 1303.79 828.67 665.95 900.29 1067.8 928.79 826.55 959.99 1076.7 1349.55 1773.61 1180.95 1237.05 1433.98 1576.17 1110.0 1216.36 43696.78 47757.46 42733.18 43564.52 43946.7 44255.36 44417.7 45405.16 43890.68 15-methyl-15S-PGE2 19016.9 7970.47 4657.8 1199.52 2806.87 12023.12 3150.63 20138.32 36519.33 4614.65 11449.79 11250.71 8166.39 2855.37 47864.79 13708.11 4615.25 1632.6 4299.96 23692.14 37495.13 82494.62 674.93 1047.1 6991.97 31213.56 794.51 1736.45 19996.3 29135.13 19148.79 30102.18 32475.63 2414.37 2370.53 5328.17 27928.45 9728.52 706.55 1566.94 58109.89 34176.6 4370.53 3546.13 58791.83 14438.52 21458.08 41188.57 1812.33 2633.81 11904.72 23100.61 2315.17 1198.32 29218.84 21373.89 3572.74 765.46 46378.16 47447.39 871.85 2109.65 57776.7 1179.92 1683.04 49861.54 20661.88 4917.51 4404.1 24846.09 32361.41 4664.39 4173.15 2563.12 2593.02 20909.78 20856.01 20791.99 20878.64 21127.35 20302.99 19880.35 20855.74 19408.47 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid 2568.31 11558.26 9082.37 9857.53 798.33 27978.98 5810.85 363.07 3322.48 2049.23 469.75 962.15 5109.85 520.23 1849.09 538.09 3483.18 5368.29 2727.46 1230.75 1041.07 16910.61 8399.56 384.23 2000.27 1391.78 2028.74 2268.45 1982.63 532.57 498.64 606.21 3663.57 2288.14 964.84 1643.73 3041.62 5859.89 3798.86 2496.62 297.22 436.73 4492.02 1507.97 926.47 1188.07 6939.21 3282.55 721.01 665.9 2301.09 4091.38 851.35 5034.39 3279.41 10779.79 4246.06 7218.89 809.16 20117.45 5168.21 15350.64 3263.13 13696.95 10926.71 675.87 3599.03 636.66 2206.34 1030.53 4527.73 16958.08 354.41 17715.44 2445.34 5701.61 5742.79 5711.66 5912.2 5738.99 5669.35 5667.15 5653.26 5652.43 CAY-10487 5584.56 2745.96 692.91 2598.53 3411.28 1764.79 2979.59 6134.83 4769.69 9548.37 1532.71 2324.06 4711.13 4918.46 1528.52 3133.41 2966.45 5367.25 4698.87 3454.55 4274.99 78641.61 5407.01 1707.91 2748.21 1845.87 1641.79 722.48 3671.24 4480.97 1910.76 1536.94 801.37 1520.74 1283.3 4770.99 3108.37 493.75 1053.45 1080.32 15458.27 8525.37 1943.89 4829.64 9175.64 2201.82 2660.66 827.83 3435.71 4759.06 4817.57 3304.18 1915.27 2323.32 4856.01 4026.53 1802.97 1985.69 5417.85 1877.24 2690.13 9331.95 3670.91 3821.17 2550.01 5560.97 4604.52 1166.02 5218.72 5911.42 3101.14 3418.08 3257.13 4318.98 2711.98 8104.75 8040.57 8144.69 8105.15 8309.62 8041.45 8145.29 8040.84 8150.31 3-(2,5-dimethoxyphenyl)propanoic acid 2379.17 4699.97 5592.5 5177.81 1904.99 1188.64 1247.2 2664.31 969.57 6723.03 5680.81 3635.13 4133.49 6003.57 2366.55 3901.27 6453.26 1608.43 3129.07 2854.56 1933.57 3741.89 7618.48 8425.97 7583.03 5292.63 8419.03 7310.88 4748.31 627.41 2308.75 1439.65 6931.52 5923.73 9914.77 6796.42 1330.99 6018.76 6726.8 10308.52 1980.52 998.74 8080.45 8346.52 1760.5 2989.24 2410.67 7239.51 5606.76 994.31 4729.31 3441.44 7560.79 2628.57 7377.15 6911.58 7683.88 8542.07 2377.79 6542.79 7446.88 8214.76 4408.58 5031.66 5286.56 2253.21 1926.55 6564.48 7105.34 3382.22 4296.51 7185.81 5843.42 9829.77 3848.89 4129.87 4055.55 4129.41 3938.91 3963.13 4160.47 4146.19 3934.72 4164.11 Nitrazepam 59324.31 3377.73 3384.8 396.29 33312.28 2748.01 608.52 74457.86 75252.93 34007.72 19793.06 46968.53 2018.62 19464.85 54557.01 33980.29 19759.13 59778.44 42707.25 90203.22 47832.31 11609.38 8210.68 9556.74 51208.37 26398.02 9753.8 17920.11 65030.17 44471.81 55278.31 29258.41 28112.14 7867.07 7523.42 54854.75 44291.44 5588.5 1782.31 14965.47 70337.41 66138.87 11677.37 530.93 69142.74 20293.78 96540.09 4056.32 7369.44 4308.69 35283.92 19543.4 10482.44 13425.86 51662.22 19457.54 3955.87 5770.08 49377.43 11734.95 9497.24 13779.1 24158.22 5738.27 34071.15 55721.79 38038.29 4950.2 5291.65 65387.76 71591.77 35181.93 29811.55 16662.92 1801.86 25296.8 17556.85 24261.63 24850.08 16429.64 23785.45 12596.0 16165.03 7855.06 14476.5 12195.56 14723.47 16332.21 14680.95 23123.68 13711.46 3095.17 14541.92 14256.89 18761.97 18033.0 15694.64 16323.91 36554.82 36590.26 36601.65 36950.9 36521.6 36600.33 36566.71 36103.16 36428.65 MS-Ppoh 7423.53 5862.59 2271.61 7116.7 10525.81 12969 17960.82 7852.53 44431.73 2427.24 9328.64 11935.42 1941.74 2669.16 2031.48 12995.13 2068.63 6169.9 646.59 8413.2 12458.9 2595.87 3542.69 7811.61 4686.31 4492.24 4498.22 5546.9 5325.26 16245.22 4390.6 13950.16 2182.52 9572.86 6692.88 1360.89 6805.82 2362.41 4983.43 6985.12 9748.28 9275.02 3860.49 1143.79 6316.98 12481.86 16662.26 3048.38 4102 6569.14 11164.07 6223.69 12710.01 17195.3 7046.89 4163.54 2911.04 3213.37 3106.73 14307.99 3429.08 5728.28 11288.92 12584.6 7867.37 14534.03 15497.52 9605.65 10125.11 10928.83 3916.81 6567.22 12277.47 7840.63 12340.81 11456.63 9770.81 10186.62 9787.74 9269.67 10222.75 10181.68 9827.4 9988.84 Apomorphine 3812.26 3079.94 1501.52 1327.66 5097.87 6314.87 3010.07 4869.23 6296.99 4339.84 3816.45 9600.64 4642.35 2572.85 6330.95 4429.29 2476.54 5185.52 2774.36 6126.52 4131.75 1814.06 1766.32 1649.7 2473.66 2980.98 817.38 1524.67 3710.54 1507.42 2370.51 1408.21 2514.56 2134.36 1573.86 3103.86 3483.9 742.96 2419.54 1230.86 4712.74 6122.1 1789.53 2074.82 6065.39 2246.44 6293.56 2687.49 1093.64 3726.85 3245.47 4011.75 3015.01 2467.51 3157.7 4710.38 1542.73 1217.33 4914.42 3708.95 2395.67 2543.6 3693.51 3060.22 3137.41 5134.21 5316.92 3036.21 2663.18 4746.43 4749.37 4351.81 1292.26 3657.8 2943.23 4348.11 4285.43 4384.05 4295.42 4383.83 4496.8 4384.52 4285.65 4092.23 Cetirizine 137051.37 61804.73 27671.98 53982.78 251847.91 127146.17 5993.73 261447.53 150009.43 123814.14 115332.86 243650.98 119160.22 103279.88 177605.41 213092.68 81955.83 224983.58 250398.99 318667.46 133786.61 65843.28 47028.47 39336.43 86541.12 69851.16 40689.7 38232.46 168645.2 82926.71 99144.66 315333.28 92903.61 46663.99 42195.06 102403.49 132701.48 19602.15 49773.46 21889.39 136587.89 238281.39 79937.05 105915.35 328922.41 79081.64 146684.16 108253.36 175789.8 263470.94 229109.34 181654.81 76159.78 55738.55 188411.66 76705.51 7953.87 29163.88 215337.01 113014.56 70117.69 64789.3 118711.74 99080.62 105869.84 235509.71 131348.11 115264.68 104803.83 178810.69 131522.72 160499.17 118241.61 89914.9 93358.44 159584.59 161242.72 161626.33 163178.4 161572.14 159659.29 161140.34 157671.08 161664.31 Allotetrahydrocorticosterone 7064.3 12480.02 1900.3 1615.98 19717.19 15754.62 4187.96 33023.57 34308.53 5506.01 1037.05 4522.2 2779.93 1050.54 34643.47 1807.54 2644.24 28986.69 3175.68 63776.5 33168.31 7415.23 484.33 1824.19 17514.29 8313.21 1711.4 3473.91 1997.28 3406.38 8708.51 13261.2 26355.9 914.45 468.35 2763.66 1919.3 414.66 759.52 2121.28 2004.22 3096.41 2181.3 803.41 14531.34 510.41 57209.56 15537.62 449.45 1156.99 525.25 399.46 5050.27 7997.48 4613.18 1465.09 3087.77 2251.66 52446.09 13258.9 3337.72 2394.69 19613.63 4299.6 1097.76 16831.21 43039.7 4675.47 756.15 67052.07 45167.54 441.58 595.84 1103.2 512.89 4168.57 4292.24 4444.92 3934.51 4399.04 4391.18 4216.99 4446.55 4147.7 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin 6858.54 11877.89 23248.61 17120.16 37313.84 33753.91 38488.58 9013.99 27560.2 35517.14 47923.64 31223.56 57207.6 16909.08 10208.73 105342.25 98231.91 7056.5 34381.02 18102.84 11903.73 7066.61 29646.05 19664.24 12702 8578.37 37483.29 24752.74 4536.85 14196.09 13597.04 40668.82 24478.6 47819.78 22996.58 3655.26 9641.97 6083.14 16442.71 15201.03 26217.17 8336.38 30731.55 38740.28 18957.85 30940.63 30498.54 27073.28 25193.66 89775.2 23352.68 5855.55 30676.44 54591.12 7020.32 13184.95 38615.35 15772.15 31850.67 8498.73 25366.58 27331.02 10273.08 47371.38 29950.31 22648.37 22182.82 41022.85 40198.08 7004.9 24129.59 54124.27 18326.2 69579.21 58590.58 31387.31 35292.89 31383.15 31854.06 32405.03 32690.08 32819.82 31400.42 32962.77 Monomethyl glutaric acid 346.82 420.41 5063.26 2407.27 1171.97 8966.93 1447.3 165.19 464.96 472.42 350.32 229.78 198.91 350 680.83 749.64 388.55 660.29 526.35 676.36 766.55 9708.92 532.62 537.99 281.87 413.67 139.01 550.54 186.47 578.38 138.89 354.85 773.07 1506.87 920.01 458.9 643.86 3344.96 241.38 157.75 321.64 449.92 304.71 373.4 766.35 440.45 679.32 1205.51 443.46 533.85 398.51 460.78 604.97 739.27 403.24 768.43 2581.5 4437.37 573.38 11987.15 306.57 320.82 674.57 921.18 332.08 177.19 727.01 369.42 223.79 830.1 419.36 524.26 540.21 445.23 501.05 1998.59 2073.35 2017.05 1934.59 1786.72 2025.67 2175.54 2045.98 2046.91 Pracinostat 1289.71 3507.41 1735.71 16278.03 52925.22 13911.01 16952.74 3259.91 4417.98 1568.95 1527.2 3061.58 16606.2 1351.74 8378.72 11978.72 4618.3 4968.69 9900.48 2365.26 1697.23 2479.13 754.48 664.41 1371.29 1979.49 2252.01 508.58 2943.74 1171.06 878.28 2619.79 776.33 1156.05 919.96 920.42 1538.24 411.58 519.59 986.74 40996.98 4504.39 1413.1 1531.38 5557.79 11448.41 3080.2 3212.57 710.73 7247.9 779.33 2276.5 1422.24 2331.2 6542.12 2516.39 845.04 1471.09 1662.08 4131.73 3783.37 855.26 2986.29 3500.33 2664.83 3048.84 2441.53 2127.29 2457.81 3005.11 1195.25 6168.18 1804.49 3168.1 7445.61 10892.35 11201.36 10606.53 10767.75 9753.73 9421.05 9996.34 9997.66 8355.06 Plumbagin 13713.24 14493.29 14948.22 15191.21 3481.71 1672.53 16388.76 7393.24 12177.65 15257.85 6211.42 6631.71 2211.03 18883.87 7124.64 7570.73 21306.02 9586.35 6796.02 10185.03 3356.38 18418.12 19526.46 25614.77 15499.71 27041.8 31602.02 23242.82 13364.05 1089.99 5114.54 11706.94 12459.79 6134.15 7694.64 22152.9 11102.8 29034.44 13535.73 10520.77 10345.65 2128.49 11339.18 21655.78 13937.07 11917.5 887.58 24629.38 13836.96 2996.97 11876.18 11477.44 7615.28 12594.91 19670.03 19640.39 21227.15 16477.02 15697.39 20937.73 18207.87 18082.36 16819.97 11013.51 21363.09 13198.03 11512.28 25721.9 21573.3 18451.85 6910.73 17156.91 2222.78 9938.58 19547.54 12003.38 11091.43 10529.14 6822.61 11656.83 13030.66 10394.59 11872.72 12920.21 Toyocamycin 5076.57 2188.83 2563.86 3412.14 1336.14 4500.28 2772.83 5941.73 753.17 4176.29 805.69 2072.19 4409.77 3434.63 9880.98 5058.75 3709.66 11308.67 762.71 1659.74 5600.22 2568.08 934.11 4520.62 2848.54 2614.06 834.69 2400.62 11885.33 3626.65 2564.98 2839.78 623.84 4832.2 1231.52 2571.84 5740.88 2267.81 1515.45 3764.84 4216.66 3392.36 5382.49 10872.32 3066.04 8378.09 15551.83 7952.62 2705.43 703.48 801.13 5417.42 4023.55 3896.58 4580.7 4934.9 836.06 2988.08 10770.67 1565.03 10873.6 6883.02 11142.35 11363.73 8331.11 7167.86 1342.08 2229.21 4199.29 9702.36 6216.46 9056.52 6268.55 5200.46 14549.78 3925.07 3547.39 3926.83 3944.28 3986.58 3707.35 3945.96 3530.71 4107.21 Soyasaponin II 8441.26 9126.01 23180.72 19766.93 3344.47 4054.05 3478.78 8901.95 23102.88 15576.07 18674.51 23920.97 30750.14 16956.49 13819.64 20289.41 22572.45 8290.26 21659.17 8148.78 6558.33 8478.51 16010.99 11647.15 6944.6 5781.95 6544.18 7880.02 5097.22 7893.23 5129.02 10305.63 3703.3 13188.5 13367.71 5022.9 8979.44 3127.2 12660.01 8395.61 8214.87 7995.98 15417.47 16257.22 13971.42 17686.09 8581.19 18980.55 12602.06 17201.45 3158.9 13802.42 19471.88 26998.58 9797.75 12151.97 20844.79 17362.49 846.04 10623.08 17599.42 21343.12 7570.81 22182.81 10723.3 9132.66 19489.72 30821.48 32256.1 2401.8 5731.34 20478.75 18350.56 22148.29 27102.62 18328.26 20075.25 15417.59 19397.15 19754.96 11579.83 19420.65 17812.24 20084.84 Arbaprostil 6148.08 9658.11 1738.57 912.27 5411.8 14226.88 6298.94 17865.82 21074.56 2248.96 3162.24 11567.71 1929.87 1143.44 30450.08 5109.32 2452.45 17854.74 2202.61 37046.48 34874.97 3627.61 1783.72 836.44 8197.41 10409.84 511.09 945.62 18843.04 12416.27 20582.59 17272.67 56089.74 1285.61 1075.55 2835.34 10636.63 5776.12 450.78 1038.4 32025.24 8288.03 3228.46 1982.61 31627.78 3016.45 33617.35 24255.03 6768.39 1105.86 9667.58 11178.87 1342.28 1674.44 17073.29 5047.29 1007.18 1136.47 42228.94 43952.22 3451.81 457.23 32088.42 1590.65 2357.02 12011.34 14610.25 2230.17 769.69 21370.9 64720.37 819.43 1010.92 2839.23 1963.05 14442.95 14331.7 13570.74 15287.03 13740.44 14391.22 13813.26 12036.82 14372.81 Aspartame 4505.78 954.83 4428.95 11073.15 2851.48 14314.34 19562.85 7617.75 14028.6 12475.06 11659.13 20298.04 17926.14 6874.88 6483.19 15153.96 3089.09 11029.81 15021.77 906.79 6612.7 2562.84 7274.84 1037.01 1964.43 4946.04 4612.11 847.92 8928.53 7493.96 3539.92 9233.93 3480.89 5778.09 4191.14 1491.82 538.61 1539.85 13635.05 4651.29 4698.54 13559.95 6820.02 8521.96 6027.3 10342.72 4918.65 13054.28 3706.05 7152.36 4309.43 6783.4 11121.49 9623.2 4792.75 4577.16 4152.85 6022 8891.43 2898.68 8054.1 13086.27 5456.69 9546.85 2523.67 6726.86 12032.19 8983.23 6801.27 1667.93 5741.47 3142.34 2604.07 9821.01 11536.39 7507.46 6875.49 7705.02 8092.22 9140.48 5259.87 7337.9 8129.74 8132.42 Roquefortine C 4485.6 6004.16 9244.11 14640.05 22540.4 59256.06 5519.75 3729.03 8311.18 18702.29 5768.34 24822.67 27672.78 15702.52 4663.8 8493.81 2645.28 6415.59 21850.74 7528.76 983.22 9913.64 13780.25 8384.62 1266.26 1664.47 2133.8 6585 27433.72 1625.79 25049.2 19121.36 1665.71 14063.2 5886.32 2827.19 3820.86 1630.02 10624.73 3317.64 11123.5 8297.78 3815.35 11566.72 10742.95 19981.78 4055.4 5764.02 26304.55 25500.5 23567.84 10449.38 5244.3 13862.02 6269.12 6586.27 4893.76 3782.11 2006.25 15424.86 10639.36 15667.1 2664.6 2229.49 3914.31 13419.67 7266.73 17889.09 5761.97 2936.11 2691.84 10844.45 9973.74 12351.9 6447.46 15723.31 18462.27 18708.52 19555.43 18448.21 18440.62 20479.91 21640.96 18886.5 13-Tetradecynoic acid 2901.94 565.34 1079.65 443.21 2357.38 474.47 325.46 5985.44 2689.73 2922.17 2070.08 5992.15 332.16 723.13 4320.56 3987.61 2722.54 4832.5 262.54 8927.82 2487.52 330.44 1326.32 1560.27 5130.21 2174.98 387.91 551.24 3603.2 952.86 3120.97 7613.8 3980.88 264.55 552.43 1901.98 3061.46 284.71 1463.29 1368.81 8215.99 3408.15 286.41 404.76 798.65 265.94 5716.9 2039.87 564.61 3732.71 581.87 301.85 1828.69 364.66 2496.58 521.12 861.12 832.12 3270.52 624.11 331.64 289.57 1290.16 464.9 276.54 1106.89 905.54 1534 5675.82 4748.32 6568.56 2113.34 1423.96 345.15 1667.32 3016.3 3353.99 3339.62 3253.48 3332.03 3268.92 3333.19 3337.45 3250.8 Mundoserone 39579.1 60827.94 43188.78 44296.38 26127.99 3136.04 21550.99 34962.95 88675.59 43095.29 64525.4 20056.72 18480.87 40784.77 53964.39 74045.52 65876.67 45734.11 20667.27 19733.54 26391.38 1240.03 18600.15 24201.72 29193.82 49520.56 36876.67 27740.68 6784.77 35042.43 10359.34 19127.83 2500.57 13126.38 23402 21196.38 71153.48 10279.53 35412.28 70624.27 20466.94 21195.28 37167.82 40765.38 37287.16 39276.97 30369.61 2668.93 22932.16 50274.06 29336.83 53585.47 29378.69 58130.78 64825.21 61413.02 70168.48 47859.8 30057.08 20836.27 32190.82 23138.76 88767.52 123598.05 59862 74892.32 41148.24 56652.29 71606.94 84526.93 59462.94 78862.99 60408.91 75786.97 93585.38 48024.72 47606.88 47596.18 47695.85 47985.64 48023.65 47640.65 47600.92 46373.73 O-Desmethyl Mycophenolic Acid 9470.65 7777.49 453.05 919.35 334.25 1942.72 812.62 4119.93 4154.72 5910.18 2784.08 3906.95 805.61 2321.31 26327.61 10589.26 6539.19 3680.35 24553.52 443.71 7574.38 3064.92 950.17 2182.57 2706.98 9194.73 1506 1919.43 11173.37 2652.69 10454.9 4290.86 17073.54 283.75 349.4 995.12 3518.14 995.82 902.13 2666.9 1699.99 11668.59 2349.42 1132.42 14328.15 1092.71 34170.12 9938.5 3105.93 15191.75 2288.51 3113.75 1908.24 1521.46 8241.87 8756.18 559.87 1760.2 15979.03 658.98 2087.92 3017.06 5516.13 6603.88 16571.21 7883.89 8684.74 7488.54 11270.12 3711.33 2225.47 10279.23 9317.45 2364.97 4676.11 8083.35 8376.31 8087.5 8515.62 8394.44 8091.83 8306.07 8124.88 8323.19 N-omega-Propyl-L-arginine 22838.2 14458.9 9720.37 14907.23 27155.9 21169.16 10537.07 33823.2 24813.62 24752 24412.3 26453.69 19123.76 23649.56 39557.62 39590.78 22244.32 14875.95 18427.49 5999.85 17582.73 8722.88 10136.38 13849.67 19547.29 15963.04 10849.44 13688.95 27375.92 4265.74 6348.92 21541.6 15904.16 10663.04 12715.62 16807.95 16527.07 3282.39 11855.43 8289.59 13472.34 27555.12 11498.88 13747.47 24681.56 13697.08 27671.39 21761.49 5470.37 24677.31 29298.29 21967.16 11461.88 14272.42 31318.92 35039.29 3634.41 10007.09 24671.43 14661.91 11712.67 11781.3 21146.61 15232.11 10080.65 34749.02 17026.4 16505.51 23944.94 33374.1 20179 23823.22 26240.86 12590.89 14998.25 21277.46 22893.79 23346.86 22524.34 22519.42 23419.15 22870.06 22718.93 22534.67 Dechloro ethylcloprostenolamide 9540.75 7644.75 2421.39 87448.54 68802.08 43135.49 59518.92 14036.26 37097.64 9409.38 9355.41 9887.93 40601.34 4939.4 14115.27 20196.51 6281.13 10758.86 15622.05 39149.45 11629.35 6833.46 4068.17 3450.93 6492.19 8686.95 2657.47 3873.9 14634.15 3432.76 8726.54 5480.53 7444.86 3977.8 2990.49 9757.06 7917.59 2192.04 4844.02 2256.81 9208.81 24046.54 5721.56 4369.78 17088 41470.81 13118.26 6266.5 4845.54 6175.46 8206.04 7637.74 4314.02 5187.67 14702.51 6041 780.7 1622.27 12837.6 8268.76 4072.13 7185.18 7307.59 9274.58 6320.95 7262.63 22437.35 4687.77 4865.41 12285.81 14180.29 11069.78 6877.13 6105.6 6617.26 19838.33 21115.88 20471.96 21121.18 21096.42 18495.36 18696.45 19829.41 20478.1 (E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-4-methoxybenzenesulfonamide 2235.53 2086.14 3054.21 6724.47 2764.56 4801.35 6602.98 1923.62 4462.16 5579.75 6598.97 7260.99 8505.96 5888.33 5486.13 4512.9 10207.26 3148.8 5687.1 5940.3 2331.46 1712.65 5226.45 5238.91 4623.16 719.57 2941.1 3677.36 2100.33 586.21 1752.14 2619.6 1530.64 5984.96 4955.62 834.62 2094.54 1068.98 5717.57 2813.36 1830.26 1911.94 8964.54 10643.52 1117.23 3822.91 2280.25 5552.51 3728.64 2939.96 1817.79 2065.6 6027.51 6354.92 2497.46 3216.61 1621.49 4834.47 1558.86 3488.21 10059.06 12506.01 2291.06 5823.48 3464.23 1935.79 2156.3 6290.47 2632.82 2643.63 1563.47 4817.15 4526 12988.89 9948.8 13722.03 12053.44 18840.71 14503.68 14397.48 15503.94 9327.79 7660.86 15577.5 14212.77 5323.27 7330.28 9920.53 23771.17 1298.19 24473.36 20393.71 27195.47 34541.9 10054.21 30054.11 19550.95 22456.2 24999.79 20192.34 3940.31 3893.98 3778.56 2655.27 3759.28 3555 4267.12 3528.06 3741.26 Himbacine 520.34 749.58 6544.82 7621.79 2817.94 2820.24 4657.5 2120.62 2636.07 410.4 3049.14 3990.23 3621.44 316.35 2597.87 35098.63 21415.1 1478.46 3668.03 1322.32 3988.95 3686.37 1324.74 2831.54 1729.65 687.32 1611.65 2640.92 2162.31 1187.28 479.23 680.78 2408.66 764.1 2352.36 1335.47 749.43 1402.7 389.82 1781.27 2315.29 581.87 2983.72 1511.73 2676.22 5037.82 425.13 1700.19 3658.86 12676.86 2105.58 1067.84 1049.75 7203.83 786.63 2403.78 14097.31 3770.31 994.15 7908.32 6024.75 1724.1 3159.91 6628.38 2313.69 2085.25 3149.91 2270.88 1894.32 1491.52 2162.5 2684.6 5801.96 14120.18 5488.06 2902.36 3619.06 4051.36 3854.61 4051.97 3887.42 4194.02 4176.66 4001.46 Cycloastragenol 4336.75 7054.43 6011.21 9400.86 4684.26 4763.12 6501.37 2582.3 1358.81 5116.96 9335.41 14550.24 12914.02 12716.82 1422.85 7270.05 11883.75 5031.18 5661.62 2204.02 3319.78 4029.23 5142.77 5160.76 4887.31 3420.72 3504.67 5778.73 3823.99 14997.25 6740.38 9046.93 3302.67 5866.11 7584.79 2971.4 4749.79 3284.99 5474.68 6593.57 6112.77 6944.98 7333.17 12144.57 3861.68 8812.09 5981.21 8620.5 3650.57 9333.26 7431.54 8631.26 11076.41 12982.44 2189.87 5785.52 6546.31 6560.37 5157.34 5051.15 6840.48 11775.9 1510.58 12477.49 11242.51 5095.96 8306.54 10082.18 12807.69 2651.5 1436.27 5597.71 13550.2 10988.09 8528.98 5880.43 5807.13 6066.15 5889.89 6058.98 5879.66 5956.8 6071.62 6136.98 Cymoxanil 14247.61 6899.57 4574.84 11760.1 65955.02 19254.58 15850.29 16861.77 16961.33 23498.43 17433.09 20029.89 18704.19 13668.05 13300.77 23736.62 13529.71 16666.11 18751.6 16790.89 17512.72 5014.89 8768.75 7180.41 9254.54 6878.45 8171.62 6780.05 15794.77 14144.34 8746.66 26731.5 4886.24 9134.22 7485.53 10074.52 8417.52 2673.8 9585.11 4359.26 16896.39 29484.68 9979.8 9368.8 48271.11 15758.8 14772.03 14734.46 15583.32 24185.37 14311.43 7875.32 13257.17 16022.4 18275.59 10884.36 5469.35 4610.11 16194.51 14440.7 9607.56 13058.83 13040.92 11065.24 11232.29 23664.91 13381.29 13286.13 26271.59 12969.57 11766.64 15912.08 12159.58 9545.83 13553.37 21943.41 21930.76 28370.68 22451.7 23051.57 22430.56 23282.85 21450 21458.98 Secobarbital 1867.25 10838.52 1006.99 2738.64 1285.73 2672.16 175.82 493.83 280.93 316.38 747.53 615.49 3357.38 3316.19 6038.21 791.19 4146.41 2416.51 2200.51 1028.81 705.34 740.51 617.64 546.86 675.89 652.07 295.98 512.52 428.53 846.96 532.24 4445.35 938.42 579.41 687.51 244.45 443.85 439.55 471.73 380.48 1835.59 3541.27 259.44 1068.82 3510.87 3304.99 460.02 1202.42 214.29 5131.24 1937.66 10434.36 350.17 1656.52 3494.99 7946.54 1017.76 206.46 1272.56 772.68 444.16 373.52 3941.82 520.99 2738.36 4865.15 10654.67 472.81 1770.3 1163.43 1282.2 404.24 191.81 3926.34 662.01 3391.92 3358.37 3494.94 3108.16 3422.51 3400.8 3067.09 3101.77 3125.27 N-(1,4-dioxonaphthalen-2-yl)benzamide 24902.31 31871.08 11558.71 20367.51 7204.59 42645.18 24470.48 33158.67 49532.4 26603.99 21468.92 49730.98 32560.27 35940.83 34874.93 27465.01 21691.06 57412.76 41776.33 76635.23 35799.57 6453.33 15231.77 17226.49 35030.51 46222.4 8764.01 12611.26 58889.54 19277.49 67588.46 62331.3 32318.46 9446.45 10657.75 57365.6 34686.85 6641.09 14882.06 10900.51 60075.31 51219.24 32792.79 22852.33 73154.43 30448.38 62343.02 55241.98 25563.18 58504.09 14799.24 43302.82 30008.77 12084.91 18650.85 38601.92 15774.77 14679.4 28714.29 3424.52 11245.22 10884.93 24198.65 27473.69 29571.51 27057.06 60882.58 24403.56 31508.33 31628.22 42867.45 29282.06 21997.65 17970.47 14010.27 33335.85 33238.6 33266.14 32959.08 32785.4 33178.75 31852.58 34690.22 33346.89 Rottlerin 91995.66 8041.62 3514.28 5356.32 21645.38 22406.46 452.84 94084.83 112079.07 20798.05 488 10467.93 4215.38 1096.92 129398.8 25305.68 2667.97 39634.99 37116.51 251593.15 45503.11 8066.61 2700.04 4217.7 23468.52 3386.35 383.43 15139.4 77898.96 12854.27 14197.29 12828.73 12237.36 4324.23 4370.12 17915.01 53752.06 3639.46 6767.28 460.45 31931.26 57531.98 10907.49 2151.82 43544.14 866.37 276144.25 24746.28 12072.17 15565.48 8689.39 875.92 8491.35 5386.14 29665.06 12812.16 3253.51 3474.52 29691.06 549.01 6928.46 4708.87 17342.58 9593.17 30827.7 48562.46 30282.98 5257.9 38018.75 89920.7 80177.98 6549.78 35052.58 7441.94 2292.37 24944.94 25595.97 25307.35 24980.39 25644.05 25662.9 26439.81 24466.06 25549.48 Mimosine 8978.93 6549.73 52362.45 14170.11 13816.54 47083.78 12383.63 16657.06 20433.67 14025.5 26215.33 8685.48 9708.98 9451.56 27410.97 22553.57 6483.07 28600.83 3515.64 19730.27 4735.83 2161.41 6756.4 16989.46 6956.15 18129.4 5176.73 12330.1 24933.32 1636.81 18008.11 5590.82 17502.27 43527.22 36636.83 10495.25 9404.72 14175.31 12390.86 23051.74 7304.7 5554.71 17334.02 11046.98 10625.13 60404.54 18944.16 2999.45 7343.87 11307.05 7635.94 7781.76 27706.47 84018.48 9250.65 6774.42 12996.17 37169.65 14653.09 21542.2 11965.17 11221.52 12573.34 38475.87 24871.3 16737.69 3014.88 11808.88 13672.25 14387.77 10756.52 13535.71 39125.26 64476.64 21800.44 182849.43 88503.16 198465.17 113897.76 149637.07 124535.34 193478.54 232952.89 192456.5 194852.72 172475.03 107668.7 300214.9 299444.77 211218.11 272440.82 123902.2 43021.35 388649.81 285847.35 255425.73 151917.08 295355.85 174008.46 232698.16 20530.61 19764.67 20441.4 20574.2 19784.5 19569.68 20576.62 17735.32 20582.23 1,2-bis(Heptanoylthio)glycerophosphocholine 11569.55 8980.51 7780.29 3016.92 22268.89 19594.19 3588.74 17696.57 17398.44 23539.81 19534.96 27317.64 1655.44 10798.41 16227.96 36804.03 15060.31 41058.78 28212.57 11880.64 12935.64 7565.63 6442.12 8562.88 15091.65 16543.76 6326.61 4819.06 19242.16 12276.3 15013.98 39354.87 19200.26 6296.23 12227.01 15816.21 15081.11 4402.46 4506.82 3729.37 17592.64 27501.96 13729 11197.84 32416.23 3613.14 6451.06 14068.33 15505.95 53558.26 11247.4 14873.34 11631.54 9657.67 22571.37 13722.95 7118.78 7030.94 33346.95 19696.08 8647.21 10462.13 24903.39 24253.86 15176.49 20206.18 20768.63 13270.04 17532.75 16849.87 12285.57 28721.75 16563.41 9573.63 15095.25 20354.49 20308.27 20090.77 20303.35 19515.19 20895.19 22372.74 19556.8 19411.56 Wighteone 3246.41 17066.07 13523.76 9714.75 1079.16 3033.2 2162.99 3355.8 4000.97 780.87 8451.38 8270.18 10094.49 10761.8 3877.31 6100.95 10298.76 5767.12 3037.3 6000.67 1559.32 17365.25 18604.59 1297.88 5568.52 1857.46 1990.26 4795.72 7419.83 2235.93 2379.65 5984.27 3755.95 13757.49 15085.71 2047.06 3679.56 2788.8 10685.47 8669.59 3855.34 5988.98 19889.99 3487.76 3988.93 5009.64 4348.74 14468.29 7549.19 3620.91 5585.49 17229.04 18127.15 10126.35 6614.81 13628.49 12185 14510.29 3370.92 6442.08 11887.42 16174.76 10866.18 12539.55 10472.32 6974.55 3531.04 9811.97 6781.52 4336.17 4972.19 680.77 1810.93 1977.49 9047.91 4450.76 5325.06 5144.29 4811.13 5380.4 5211.23 5464.95 7129.06 4528.48 3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid 7868.87 20588.45 2991.83 4187.26 11630.4 16902.78 14328.02 20969.34 14619.16 38902.81 15492.97 16451.67 12127.62 17703.77 21074.03 22986.44 22439.57 21008.33 33640.63 2098.73 11294.94 26867.6 9771.21 11890.12 16461.97 67951.49 51764.26 21054.38 20094.37 6824.77 8572.19 18153.54 23313.46 6222.58 7943.11 39644.94 14067.34 10759.79 9494.32 6962.15 16122.76 14097.63 15070.92 14248.01 21050.71 5715.04 5959 20524.95 8901.41 15992.84 7434.04 14432.26 11850.86 11235.15 12627.55 29285.44 9163.07 6185.56 23506.41 36797.83 9579.09 15140.87 15631.55 15247.42 18108.2 18676.75 20568.81 32590.09 16515.39 24925.11 18676.69 28111.27 12298.66 18876.6 21819.55 23109.21 22377.5 22564.11 22411.65 22311.75 21948.46 22639.37 22297.28 22621.96 alpha-Hydroxyhippuric acid 11674.87 12083.01 2227.66 3782.23 21013.45 26093.87 6924.1 14790.37 21516.01 7479.78 8351.93 7848.31 5712.99 6412.96 24622.06 12849.74 5983.12 10952.33 10588.12 22283.6 14883.62 9260.35 3405.98 2460.35 9282.74 8769.48 2031.22 1783.26 6543.6 1907.22 6456.31 8054.02 7134 2494.83 2794.09 4415.73 11973.45 2729.29 1246.76 1681.76 15087.81 14170.76 1862.87 5178.81 15447.91 2582.46 16358.86 7416.57 3284.65 13620.02 11103.18 16447.25 3807.02 1932.54 10816.93 16128.73 2003.39 3710.95 22936.7 13614.37 5046.24 2778.62 13624.22 4087.35 6747.33 15713.27 25326.77 6721.89 4814.45 19557.76 16125.94 12505.72 4126.97 3352.24 2583.61 11824.94 12035.24 12222.9 11938.01 12379.37 12199.73 12216.32 12205.87 11832.65 CCT-018159 17363.58 13898.36 38356.01 36024.35 16883.25 16140.58 22481.55 17541.31 17311.5 24451.34 39271.13 51579.24 41812.59 44808.76 13632.77 28040.42 32257.89 22443.62 35167.18 11399.58 13703.57 23379.27 40493.79 39597.74 29872.72 11326.54 29487.63 42123.84 11418.55 14149.5 14366.4 17950.58 8849.32 26262.3 44259.63 23523.87 21682.31 1393.28 45547.05 44066.44 21182.19 9509.05 46072.75 45997.36 18676.05 40628.69 16269.75 19246.28 41701.75 16907.78 32792.89 21097.68 46882.66 52833.07 39171.89 13574.14 32755.4 58110.95 13900.03 974.75 50349.85 34512.12 30713.77 60816.5 34480.13 26487.83 8807.54 31170.56 33235.47 21688.59 18707.99 23012.54 45596.54 43073.68 46638.66 19702.23 19842.33 19873.23 19873.1 19758.67 19875.27 19704.57 19877.24 19096.98 Pyrrolidino PAF C-16 14800.94 13013.54 3519.19 6065.15 5976.39 3452.4 8967.32 13112.76 18658.51 15855.57 13751.84 15580.35 5569.35 6959.66 30783.81 12743.48 21511.47 15228.57 12521.1 27693.93 13405.42 4801.58 9781.99 8086.05 12708.63 11926.25 9467.93 8309.04 31821 5421.71 11914.53 6495 21623.49 4482.45 4823.86 12457.49 12924.31 3372.29 11985.78 9350.93 15749.32 13576.19 11310.24 15764.48 18654.07 7904.24 21187.8 12840.84 6661.11 8226.33 11245.89 16119 9799.97 15069.57 16893.29 19861.45 7294.29 2777.22 14917.19 7988.06 11276.6 14806.64 18517.43 3396.48 8818.22 19511.56 27492.26 13988.26 15862.89 15242.98 16899.35 5089.93 10764.74 9710.14 11290.2 5264.03 3691.48 3554.34 4078.68 4011.7 3586.06 3485.36 3808.57 5334.92 3670.42 4726.06 4321.55 4068.1 4238.89 4248.83 6923.65 5579.27 3973.37 4551.4 4038.93 3667.06 3382.39 5867.35 3818.26 4425.82 12331.83 12533.9 12126.5 12364.02 12536.51 12535.98 12538.51 12551.19 12322.53 L-Allysine ethylene acetal 9169.71 7254.63 6830.43 3500.47 13946.65 3047.32 9225.45 16296.06 14506.17 3822.86 12208.77 8837.66 13911.91 8941.21 15892.3 8059.03 6164.44 11676.33 14814.63 20597.04 9922.83 2585.2 6055.42 5612.44 9392.39 6726.08 5469.64 5154.78 10741.63 6458.5 6943.59 8081.18 6389.2 6152.86 5032.85 7125.08 8468.93 1409.68 8791.9 4335.02 13435.05 14340.09 7701.92 8917.83 12393.61 14615.39 6591.25 10967.2 5925.27 10249.46 9347.81 10243.03 7566 8141.44 10041.59 10406.54 3970.6 3458.16 11787.51 983.57 6366.85 5568.36 10477.94 5317.14 7844.43 16320.4 16496.1 8796.87 9863.29 12623.79 10472.75 8347.33 4721.48 5102.67 14043.67 11482.24 11518.31 11709.11 11513.45 12044.51 11502.95 11502.97 11694.24 11869.6 Arachidonic-p-nitroaniline 74242.58 25628.84 41781.52 35175.09 48088.74 21516.14 48285.95 98036.62 24853.38 56407.16 42688.15 73846.18 203533.45 57110.48 47441.29 79399.39 32478.32 30236.44 125006.86 84451.78 65726.46 23072.22 60494.02 26813.19 41422.97 3616.61 27302.23 22234.01 83971.6 64936.85 24131.53 50552.51 46006.61 58012.49 25024.12 46409.49 48027.55 5497.37 60664.79 15438.46 41227.03 59029.95 36568.84 30113.25 51595.25 43793.49 48593.04 52071.99 79337.57 73324.12 105309.65 54195.81 123670.27 53142.85 67675.59 27854.17 83313.98 18816.58 50777.75 9017.04 65597.2 111557.86 54658.36 73113.87 37874.85 64469.06 30213.73 41622.62 21783.93 77126.25 69604.04 62769.93 45346.11 38090.71 65813.18 58685.25 58690.23 59377.37 59690.4 62321.03 59466.03 59169.9 58002.36 58829.46 9-Decenoic acid 1073.46 1860.93 1782.64 3591.67 7457.71 7213.72 10295.27 2089.11 2057.74 3337.64 1448.4 4566.22 6489.77 4503.45 1891.09 3227.27 2488.51 1474.98 6815.54 2833.12 1266.26 1157.46 3127.25 1209.98 762.45 810 1743.99 1066.53 1173.99 1767.17 1291.04 2233.85 1860.86 850.91 984.63 2057.19 1575.88 465.38 1640.11 700.79 2964.7 2231.58 2703.77 2018.44 1010.34 2915.53 2345.52 2578.83 754.11 1784.46 552.18 3474.06 729.61 3715.73 2495.53 4372.44 1559.2 2937.84 885.9 752.57 3411.79 5164.05 783.18 2902.72 1688.58 2756.34 5377.33 2077.68 3659.04 2592.09 1585.53 2543.74 815.64 3369.46 2206.95 3009.73 2114.74 3025.66 3015.07 3025.9 3429.46 3079.46 3013.73 3182.78 20-HETE ethanolamide 873.97 249.25 924.63 43689.16 235484.51 81071.36 93304.36 3426.66 189.97 181.84 148.7 1718.86 18616.91 46.89 590.22 12373.87 3185.43 257.04 930.88 191.5 958.18 464.83 376.2 47.52 1040.76 304.92 724.61 65.05 613.5 325.81 86.43 1114.79 405.02 146.84 35.38 64.4 254.64 209.55 45.69 151.22 92175.75 5298.95 24.57 40.93 979.92 5358.93 817.89 74.73 807.9 75.88 384.58 53.32 416.43 1126.06 3223.13 802.32 1044.55 28.7 2382.25 21112.14 686.17 2467.93 149.98 343.03 1098.34 2227.16 77.84 455.95 463.12 170.07 31.33 1250.12 1073.22 406.51 3573.96 15067.52 19974.83 15852.93 18635.07 15864.63 15718.61 15239.94 14258.38 13413.58 13982.57 10367.0 11502.53 10830.84 10362.07 10444.17 11182.91 14651.57 11104.36 11379.97 12273.88 12478.21 12059.61 11045.0 10898.94 9890.39 17585.96 17626.18 17380.18 17947.49 17463.66 17581.99 17333.7 17409.73 16892.73 Acetyl-N-formyl-5-methoxykynurenamine 4175.12 6332.5 1672.12 3345.89 6050.02 4162.04 3738.82 8748.93 5218.45 2268.33 2336.92 3081.59 11857.9 10093.86 11583.72 6984.49 4084.25 15820.81 10126.82 15956.44 3350.07 1254.63 730.37 841.72 1654.51 2719.75 338.31 1368.47 1863.38 2325.74 6501.57 11762.99 1349.5 509.22 364.94 4954.59 1307.64 1185.71 2562.89 952.56 12289.97 12628.63 2688.95 3177.62 12077.27 7511.71 16103.65 6146.93 4665.38 16279.29 3818.84 6104.75 2732.78 4569.72 6161.97 3773.86 1978.55 985.16 3483.88 2414.49 1365.54 1346.6 4896.61 2906.52 2411.59 12922.61 14026.26 5182.43 5488.12 4064.53 2868.13 5399.49 3812.52 4633.9 4104.68 1062.27 5399.02 613.6 1206.54 1614.19 847.66 1489.23 2241.39 1679.73 1301.26 2190.32 852.59 2299.59 1567.44 705.25 1512.94 1514.54 1719.69 1051.34 2211.08 1247.44 1360.67 7023.63 6750.39 7084.82 6673.18 7021.55 6775.85 6101.89 6674.55 7022.68 Sparfloxacin 30981.32 21641.18 5935.12 25389.53 17949.51 76464.71 36582 9779.48 13874.62 23876.35 11557.33 33217.13 51291.93 114657.47 32414.95 12657.83 26036.25 30528.87 56629.82 3258.8 4418 3549.35 4986.48 3185.97 3723.56 2700.66 368.84 333.94 25578.52 5843.94 7571.58 55167.58 3061.71 7228.53 3977.83 537.7 512.75 1466.88 5381.6 1118.15 23112.54 31317.75 2393.95 6028.71 48251.15 47657.16 4605 4908.42 6934.13 158754.94 2471.37 30853.84 7667.43 16158.54 12914.45 7345.55 8563.81 7217.33 3976.41 1718.78 2208.72 3063.64 10208.46 4100.08 7802.98 31433.42 35119.9 10930.18 3908.68 5752.9 11429.08 13558.01 9692.9 18093.19 9693.38 18633.72 18712.44 20191.81 18817.38 19396.41 19082.75 18664.95 18085.74 18669.02 Cholesterol sulfate 7108.67 13238.1 35682.78 4102.72 19189.59 2471.48 4052.49 1930.47 20582.54 4564.99 24494.55 2078.74 8437.48 2651.52 8035.03 16649.08 15176.83 7208.51 35888.61 53061.3 15029.51 7490.75 17720.06 89719.21 11147.11 8656.39 3571.57 7137.34 5237.92 2553.8 7060.33 37338.59 13401.61 6412.46 8607.47 29409.81 3714.65 4893.78 8107.81 3579.86 4440.16 6850.13 15449.23 10394.8 9996.97 2450.2 10095.52 18350.69 33373.49 24454.46 5323.89 18420.59 18136.06 10496.88 16363.15 5810.34 1258.16 8516.23 5732.52 2671.23 10114.35 3552.07 9661.66 26186.72 41495.09 9854.55 17123.21 13481.01 16114.74 5286.59 7692.58 7815.97 23576.28 14253.99 30270.98 77583.13 49665.77 49215.35 48074.34 70733.01 32873.02 16702.07 83647.84 111722.73 14206.44 36727.24 52425.36 46016.23 73365.77 53347.48 45585.58 32713.52 38645.38 26667.6 40245.27 19374.67 37445.08 54481.46 26071.48 10437.7 11500.79 12052.62 12784.02 11633.95 11590.91 11897.94 12167.48 12138.52 Celiprolol 8138.07 1377.51 2251.89 746.85 4720.25 1542.87 3186.11 10583.71 5169.4 3587.44 3541.17 13884.14 23097.62 4111.78 5222.87 9951.49 2336.39 3280.14 20659.56 2031.45 3991.39 1162.29 7326.98 2168.39 4413.28 2263.63 3327.91 900.13 3276.4 1072.79 1420.77 3829.94 2404.23 3570.72 1041.95 6054.53 4585.9 478.75 13414.06 881.04 870.34 4373.16 6482.9 817.29 6031.95 2129.09 5605.39 9035.95 10123.48 8833.87 12630.36 7049.24 18084.33 4203 7609.79 2706.71 9327.81 2812.56 5285.62 1068.43 5917.19 26923.04 3559.03 4160.51 1566.55 6694.95 4291.1 7556.69 996.4 9628.09 2199.1 4924.72 2887.61 306.23 8006.85 9362.64 12248.31 9239.18 9601.49 9326.82 9194.63 10328.94 8481.9 9191.27 Fumonisin b2 706.76 457.43 564.24 201.53 4980.63 978.28 7315.56 541.16 432.19 336.16 1009.88 995.05 10271.26 679.32 1579.18 4005.96 985.26 1087.96 2316.16 792.38 245.32 675.92 264.47 517.1 192.68 324.39 611.73 645.8 336.87 207.23 116.29 471.59 219.93 130.13 143.78 160.63 701.11 353.82 189.94 572.91 12000.23 1904.93 150.02 128.8 769.53 7262.51 1081.54 1123.79 280.27 2140.19 939.64 393.73 260.86 1341.98 2476.19 91.13 506.8 573.98 454.46 165.77 404.3 1261.29 538.82 1567.59 930.86 1185.08 122.35 118.75 278.92 420.76 389.95 533.6 1202.93 110.36 1494.95 3690.51 3681.49 3668.82 3666.94 3708.32 3442.6 3670.74 3154.29 3545.04 Levocetirizine 3317.27 1073.08 1986.12 19845.71 4123.39 2941.29 4927.85 7170.36 8357.6 1162.14 3494.73 5830.81 4531.49 14729.37 2071.65 4970.32 7557.83 6135.35 5523.05 26137.61 5383.96 9853.05 5933.81 2206.27 5031.35 2993.75 7937.57 3330.21 4126.45 4524.89 10801.09 4337.32 2010.15 968.18 2347.85 3991.66 2738.51 500.35 4671.11 3092.35 689.13 862.42 6674.8 3316.04 8200.03 6246.52 11243.86 6420.62 1840.89 3983.06 4358.28 1364.67 6042.65 4947.68 993.73 5153.49 10257.18 931.5 7842.94 660.2 3003.53 4670.54 1464.63 4317.73 6322.78 2559.25 3359.82 15949.74 1468.89 6262.21 5957.18 1329.2 3884.19 25263 12421.47 5785.04 5868.05 5761.31 6027.27 5638.62 5650.18 5556.94 5880.81 5561.61 Guanosine-5'-diphosphate 17270.42 12492.21 8425.6 8365.9 12521.99 10718.68 8156.76 15709.74 12172.49 18393.97 11615.08 17269.1 15761.57 13780.32 11881.06 13495.41 10927.14 15292.77 17218.13 14692.53 6187.53 6851.11 10819.95 10802.38 13812.28 10046.1 10103.5 11768.96 11395.55 8652.21 7352.18 8540.21 11333.04 8430.66 9251.4 12574.13 11830.3 2792.06 13214.32 8729.77 13529.69 17377.32 13687.33 12727.95 19568.38 9448.36 13981.21 16838.87 16247.12 18630.68 15690.23 20613.51 14144.92 12484.39 11811.68 15180 9199.7 9715.87 15282.16 10341.55 15789.28 18095.35 18556.57 8733 11828.13 18551.6 13074.55 12441.62 11371.23 10578.73 13786.85 13628.29 9763.27 10746.36 13252.81 14395.13 14630.43 14600.37 14955.81 13990.41 14679.56 14774.56 15033.08 13387.68 9alpha,11alpha,15S-Trihydroxy-prosta-5Z, 13E-dien-1-oic acid, 1,9-lactone 1638 3559.73 1366.53 483 10007.15 23827.52 10188.52 6510.94 9421.3 2517.29 1821.8 10153.4 190.4 377.38 1742.18 2915.14 2503.52 319.7 666.59 12507.46 4620.35 1063.38 1765.42 663.43 2623.5 17120.9 442.28 1006.35 3056.1 3008.43 423.6 306.82 11144.42 1179.19 520.39 908.81 2407.74 2420.4 5474.34 1000.61 1192.59 926.31 685.12 570.62 4364.92 3870.04 9180.66 14226.98 1325.61 287.12 5748.61 2236.69 303.88 553.9 2322.92 557.93 182.88 228.55 6435.54 5610.23 1176.36 1725.12 292.06 3269.42 1429.98 1219.24 4077.78 960.76 2130.71 8974.55 7008.93 3889.25 5319.64 3555.83 1207.35 5075.53 4300.71 5343.02 7002.4 6769.3 6918.01 6771.95 6174.19 7570.7 Sildenafil 2054.06 1531.33 318.88 424.31 1616.18 2742.23 831.76 2026.11 5688.03 2056.39 1202.28 875.01 813.78 1025.89 2960.63 1212.38 458.98 2002.2 2202.49 4249.31 950.84 6636.42 796.12 648.72 2414.41 3408.24 441.44 828.99 476.44 1115.18 1374.13 1288.02 505.35 320.16 656.54 1207.18 5701.17 380.15 1186.91 922.55 3448.71 4322.12 939.6 403.91 4120.11 693.35 6519.44 2457.19 1030.05 1540.29 1377.48 1668.27 1124.36 1140.95 860.5 776.11 516.77 363.15 9071.54 1499.45 2445.65 758.08 364.12 1051.95 1770.99 845.95 1004.94 1821.42 867.1 944.09 4629.87 1240.96 622.59 831.36 1541.45 2423.71 2244.14 2315.48 2278.66 2484.25 2393.97 2048.92 1540.08 2239.61 Acetylvalerenolic acid 8899.1 29879.74 5044.21 19531.14 3899.12 8972.18 2341.97 15905.68 11991.99 13176.74 16204.36 7384.64 794.1 7040.47 41476.9 9683.57 34874.38 45204.52 9384.5 29689.97 16846.82 14042.28 8167.95 10256.43 16961.43 24825.88 9951.44 16205.49 15618.64 41232.26 17841.59 11494.63 38469.83 6647.26 19640.49 15362.59 31959.6 16364.79 17442.09 31356.48 22000.34 1658.52 13916.16 27024.34 7497.53 6560.44 23876.1 22875.6 5297.84 7025.71 4208.08 28490.78 15023.52 17862.19 21081.08 31239.52 28196.83 42447.86 48432.82 38622.14 37667.43 17816.25 30438.49 42115.89 56503.97 3922.23 14641.62 3291.92 21799.95 22315.32 33174.58 28499.35 32459.9 36530.96 18967.39 15070.84 15253.02 15273.59 15686.55 15603.71 15730.34 15770.68 15706.23 15200.77 Brazilin 216622.29 58766.76 6453.41 4350.97 220474.9 89587.36 6170.97 305996.66 308765.73 126952.49 89460.82 43935.25 69430.35 72521.79 249622.8 169602.53 77881.3 283493.15 131815.98 564107.09 180135.47 11152.48 10538.69 23209.32 111720.37 109018.64 40649.16 115724.05 199638.67 124770.69 178549.64 119462.75 94525.31 21001.13 5514.14 136326.45 110811.44 32147.59 55473.29 40497.59 263541.34 219946.65 10049.29 34055.1 290944 66396.25 339996.94 81810.12 136314.83 269434.95 104464.53 67062.47 17180.27 18428.82 146496.51 65190.12 4576.12 5840.24 182764.97 24397.3 44024.81 20695.79 75227.38 35972.06 81844.5 150763.43 215591.01 132372.42 150578.71 234123.48 287686.56 145522.23 143920.49 40750.38 19180.56 156693.31 157013.6 156816.23 159247.94 159257.66 159245.58 157028.71 154912.83 159191.48 Tofacitinib 206321.06 239549.25 46585.76 412385.61 391663.26 40737.53 204392.87 173940.18 104969.7 406925.06 86408.84 75910.58 51089.37 240927.54 93068.47 133046.64 379293.97 37548.54 281478.78 75492.67 18504.71 25521.86 32116.07 23488.48 84408.87 36683.4 18793.19 32715.15 86708.27 78659.16 44054.21 169058.09 10275.4 23814.7 40447.83 43644.4 19509.57 5821.54 32012.48 7152.72 86684.63 82868.95 68383.62 76801.18 366843.64 30361.94 97666.58 46972.28 54505.72 64376.96 105797.72 107561.15 60344.41 65798.31 46846.03 112629.19 28804.86 54603.69 61824.81 130008.71 100512.98 72654.38 461779.45 89823.09 40387.4 103902.33 50823.52 108791.75 91386.39 94059.11 81436.97 419887.05 22608.38 140154.56 86452.05 121426.86 113617.01 107101.21 113079.09 113111.75 106795.28 106786.04 106384.01 63881.87 13-L-Hydroperoxylinoleic acid 110678.83 41785.87 130253.6 146001.57 137752.72 125399.05 67045.91 55208.15 123287.01 85590.31 89755.76 73863.44 335337.59 87189.54 105198.22 913376.25 128555.91 45700.02 73029.91 6863.05 30700.03 188139.72 53059.4 127321.05 72596.75 11818.58 30288.54 29061.68 44604.25 2764.83 3254.32 41836.19 20593.83 8863.82 98616.05 41078.38 149022.94 25288.74 45696.57 60329.99 12353.62 48481.64 61992.21 150955.65 40047.75 156152.03 111586.91 44374.66 90583.36 353132.02 44813.93 55705.41 67206.43 125877.13 87386.95 109533.92 253255.31 120421.76 33748.7 131254.81 228309.99 162791.55 72221.37 186792.55 58846.92 199277.97 72108.34 95946.13 124060.1 40317.32 214807.99 32001.43 3501.37 192801.67 124351.54 78882.99 91810.02 91254.26 93900.04 93251.91 87493.46 93294.22 89819.47 93582.35 4-Pregnen-17alpha,20beta-diol-3-one-20-sulfate 399.76 866.02 907.24 2208.06 1197.57 3643.43 1669.67 1197.43 1993.73 403.8 849.53 2464.98 12976.6 9510.96 3281.47 2918.02 4369.26 1599.23 4834.55 1491.64 739.16 593.11 1162.85 685.44 628.32 533.31 640.04 733.99 630.28 560.97 488.72 861.79 333.74 386.24 374.59 748.08 1009.67 679.67 793.25 889.02 1389.96 470.99 488.88 697.84 2777.41 1177.11 1602.67 1283.79 858.91 1679.16 448.03 669.04 1129.2 1484.27 593.17 2029.23 657.87 983.35 357.07 493.6 796.75 355.06 331.34 940.46 2060.47 1646.29 1409.56 2792.92 3202.79 396.6 340.2 589.72 701.88 1205.96 3767.05 887.49 1493.46 1320.37 1354.07 1407.02 1318.86 1310.42 1290.21 1389.56 2-Aminohexadecanoic acid 60992.3 88307.23 56613.49 25579.53 31930.71 74674.32 88365.83 179641.29 52423.04 85445.32 83400.45 125839.62 59215.45 35483.24 48013.5 64520.7 112498.02 44952.24 49904.53 93974.81 77656.29 79290.77 59250.58 58648.65 55738.86 63861.31 457814.98 399332.24 45867.77 100088.21 148256.25 71777.22 110116.08 67485.44 57504.88 41237.29 35441.6 116248.63 20759.1 60297.38 71656.98 76053.8 206432.92 40386.79 39367.09 154269.87 62208.73 173967.91 74209.2 55503.81 122835.72 90029.87 89300.63 69752.06 76287.67 47523.65 65570.57 17582.1 19666.05 133475.71 56442.87 169957.54 77109.15 55354.65 97333.36 56043.07 74325.67 188551.7 62651.24 58170.45 84857.27 93054.49 124123.61 110196.86 77603.38 4061.88 3809.93 3600.58 3769.07 3277.37 3522.53 3668.36 3435.06 3287.76 3486.77 3785.67 3499.42 3468.95 7526.6 4920.19 3216.14 3796.38 4107.24 4743.94 4166.02 3941.97 4389.14 3635.2 5133.3 3499.33 62007.83 59520.44 61911.41 60898.89 59316.05 62071.04 58561.55 65195.25 61223.44 Xanthosine-5'-monophosphate 1374.59 4094.75 10865.08 9055 6126.26 7779.6 11795.6 4963.4 3422.83 7819.98 14439.8 19874.43 41014.07 11196.47 2369.34 12800.93 8074.08 1880.13 41158.05 7246.03 7105.19 825.62 13836.71 12421.9 3178.26 3995.6 8916.34 19830.15 5642.27 11726.95 8419.24 43404.05 1332.86 12602.01 10772.04 9014.39 2721.77 2451.7 14453.72 9339.38 7265.35 9250.3 15631.45 8776.93 4774.07 15485.93 2758.66 21250.33 13490.77 24584.9 4963.83 2897.21 13365.47 16746.6 2623.56 4959.62 17104.02 8661.46 3726.41 3964.17 10284.83 10483.94 1752.18 20573.87 10677.16 2689.91 1136.3 10207.94 12037.2 1778.21 3206.01 8161.27 11268.5 13042.16 16787.65 2486.13 1528.71 4884.46 2154.05 2594.13 4244.03 4411.34 1341.04 6064.63 4268.45 4517.23 6840.73 3587.0 1087.55 7501.41 803.99 4389.77 4741.99 1504.03 2710.93 6458.2 4564.69 2205.77 6612.52 694.0 9129.21 9618.7 9669.09 9608.78 9605.78 9472.08 9184.59 9526.96 8194.16 Averantin 2850.85 2776.76 908.99 3141.62 2540.75 5199.78 1187.1 1634.55 2686.69 2103.56 2191.96 2296.96 4488.81 1125.84 12711.41 1898.83 20664.44 3556.72 14017.6 10229.99 1334.46 1788.11 1344.52 1199.3 2829.49 1353.15 946.32 660.07 10887.18 435.86 935.93 350.15 1685.19 972.54 929.5 639.6 5148.75 809.74 1637.71 1307.52 3108.77 501.81 467.12 1426.22 2104.17 1680.35 3037.27 2573.38 1085.53 575.56 646.63 1312.39 1625.07 1497.2 4866.42 2440.89 1692.86 368.49 1496.96 951.77 983.62 1317.07 950.81 2306.68 2842.54 973.1 2028.68 1251.97 1736.21 3040.94 5490.53 8953.59 2101.18 3275.62 1374.67 900.62 801.49 1575.07 1454.09 2178.23 1091.15 1968.74 1006.37 1020.27 892.12 2272.33 3511.2 1523.49 1945.5 2730.81 1237.66 1383.42 1095.24 3551.69 2518.37 2187.32 1273.85 1222.32 3913.83 1635.48 3090.74 2875.7 2871.44 3077.04 2692.79 3137.15 3093.35 3085.64 1001.09 3-(Pyrimidin-2-yl)propanoic acid 8959.07 1795.65 952.61 1049.86 5380.37 1299.31 2599.43 8888.68 10852.77 616.82 1509.1 4349.72 725.48 634.59 11817.74 6739.16 4030.23 8544.24 3384.81 16409.55 7431.75 1494.43 1673.22 1454.61 5038.77 2828.01 1387.13 364.91 9070.08 3898.64 4911.04 1941.17 3910.03 1021.71 922.98 4616.92 7665.91 1588.97 450.41 1720.53 7335.7 8619.45 1927.61 2898.09 8679.63 1214.05 17268.84 2237.43 4342.23 6937.32 3825.95 395.19 395.87 1410.24 5559.35 5374.29 372.74 1035.98 6528.18 2268.03 586.86 1628.77 4529.72 2651.1 6950.32 8088.07 8405.4 2160.6 6244.85 10581.75 10947.01 2942.63 7320.11 3719.98 3145.47 5987.77 6025.28 6093.32 5990.25 6025.69 5998.81 5946.79 6002.14 6025.35 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one 31501.35 32591.32 38400.01 25336.81 47111.02 71520.07 72381.87 48173.13 35045.82 40799.08 40265.51 37381.78 44661.78 32636.19 77546.2 62936.51 31700.15 35135.74 25673.97 22771.24 34515.1 37921.67 63697.75 34739.08 34034.08 25230.05 16704.84 25608.67 31921.55 6687.26 20389.03 26559.96 51392.33 31687.95 22383.88 46419.74 35777.08 18098.06 38401.37 17839.31 25011.31 57200.02 60181.7 26954.49 41527.66 24625.42 47902.8 30348.7 22278.22 33963.56 33859.32 49214.89 38710.07 33802.98 40520.54 36765.01 37528.18 24321.66 44200.48 27559.52 28339.26 35706.21 74777.08 35695.12 37731.64 58652.57 25319.78 31949.87 28409.31 42553.03 32208.79 45501.19 49331.62 59156.25 33849.04 40417.22 40432.23 40839.17 41026.94 40768.92 41807.27 40436.99 40442.56 40417.31 Tyrphostin B7 1241.08 6583.89 16419.35 8978.18 6390.35 13561.19 9295.55 1110.49 2813.92 6074.78 6789.9 11244.45 8112.08 3646.2 6132.91 11247.48 24935.31 934.36 12111.99 5507.39 2423.72 4436.52 12224.7 6308.85 1117.03 7472.37 8307.69 4180.22 3312.96 1240.17 3002.51 4886.97 13177.39 10893.62 9188.23 3584.8 1146.9 8414.01 5112.17 3845.6 4467.05 434.64 13592.38 9122.31 2484.92 5223.65 4786.32 11638.3 4214.92 1565.39 955.85 5475.4 6000.38 6125.15 2699.29 12062.71 16855.13 11500.81 2659.8 18681.36 7829.93 23186.42 4164.46 10789.47 4583.69 3066.09 13867.68 6686.97 5659.46 1809.92 1698.32 8727.35 8027.37 10130.63 6338.74 2175.03 1251.92 2077.43 2569.79 783.09 2772.28 2790.76 2675.29 813.76 2251.83 2287.07 957.54 2596.89 2285.78 1698.11 2921.6 3221.14 1352.51 2532.52 2548.1 2912.8 2240.11 2238.27 803.81 8247.91 8218.17 8050.01 7656.03 7089.95 8230.8 8218.41 8014.18 8096.93 N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide 29081.96 22950.87 10586.26 21105.99 7962.09 10070.7 12342.96 22120.14 21438.13 30229.63 31000.37 22487.2 22049.87 29389.1 31307.78 16942.5 29967.77 27262.96 19515.93 25277.83 14507.86 22461.19 11849.66 21254.01 17283.29 19782.57 18484.09 20695.02 13682.33 23018.28 16876.16 15784.23 12332.82 15853.23 20058.8 16935.82 22111.25 11765.57 29875.05 24822.64 19733.41 18190.35 22517.49 42436.26 25739.71 23209.77 23095.13 19040.23 14278.14 19178.96 21905.91 19028.08 21707.47 21206.69 18459.79 24880.88 20001.23 29921.02 26190.21 37604.5 30008.55 35925.56 18869.84 16888.31 25016.02 24199.01 27855.19 32441.73 42130.92 19959.04 29436.99 33338.49 29822.04 26494.28 28455.22 20629.19 20907.23 20560.68 20759.22 20677.13 20622.83 20763.97 20559.17 20569.7 Rescinnamine 1941.47 3354.25 2351.33 6600.57 11366.31 16224.06 5243.45 5457.54 2523.55 1907.77 4202.22 3710.86 10405.76 668.27 9668.22 15045.02 9415.68 5399.39 12963.34 3851.01 1641.52 5149.86 3584.08 2223.08 3248.06 3231.59 1937.25 2592.16 12031.61 1537.56 2950.42 2606.64 4991.67 3013.89 3933.99 3940.35 4573.63 1049.87 1442.89 2296.53 5235.43 3210.14 1202.35 4281.29 7241.97 9116.78 5321.06 1995.46 10301.66 9455.49 4012.82 5308.91 3341.58 5482.78 4860.87 5493.81 905.15 1370.31 9368.02 23581.58 5114.98 5086.45 11574.14 4306.69 5820.03 1802.72 5617.88 4168.59 5093.42 4674.07 7203.18 6246.68 6062.95 5774.78 8486.9 8570.47 8811.67 8837.6 8569.53 9931.04 8856.27 8533.38 8828.46 8543.49 Proglumide 3527.33 2796.89 774.64 2128.33 6242.04 7001.05 2359.83 4812.97 3512.96 3797.35 2997.29 4658.18 3834.49 1613.52 4443.7 5877.38 2218.31 7391.34 5931.73 7297.91 4388.12 3116.06 2904.34 833.51 3095.96 2433.83 1216.93 1154 5088.31 3184.23 1925.05 6398.07 2716.11 2319.94 1031.93 1980.13 3433.15 389.89 1569.2 450.28 3507.16 4280.12 2276.66 3305.27 6690.55 4989.78 3492.24 1111.46 4039.29 5765.66 4117.36 2762.78 2368.4 384.12 3523.19 2748.47 1186.52 1712.56 7886.53 2285.2 1157.9 1094.64 3382.26 3945.55 3624.34 3486.28 2630.74 1188.87 2532.7 4370.02 1262.72 2348.93 2809.03 1069.79 2277.58 6008.99 6328.54 6273.23 6031.13 6007.42 6333.11 6394 6147.2 4561.21 Malabaricano 3639.99 7040.14 4746.81 8958.44 7373.69 13147.56 14983.74 7170.15 9681.35 8217.85 9951.64 11520.94 11827.41 6833.58 6239.26 12645.11 10082.51 5573.19 8463.6 6549.15 4484.99 4672.01 5875.33 5479.29 4385.18 6303.21 5621.8 5004.23 7472.12 4008.94 3181.24 9911.04 3375.03 5082.91 5598.81 3674.19 2846.92 2015.28 6946.58 4761.22 7659.64 13137.77 6566.09 9728.97 8081.18 14784.48 5885.3 10610.03 6672.51 11754.23 6009.03 6296.19 6696.27 9920.97 7691.46 1437.4 6636.25 5917.23 4892.33 5966.89 7415.11 8112.69 5258.24 11624.93 6270.84 8169.38 16534.63 9476.61 9348.14 3685.61 6470.7 9602.56 7968.59 11472.23 12152.86 8117.41 8360.96 7956.89 8114.02 8024.64 7812.47 8056.6 7936.06 8111.68 4-Hydroxycinnamic acid 2895000.05 1836261.99 389142.14 791615.7 3010848.11 2252310.48 1481733.93 4287842.4 4433032.31 2039834.61 1852179.07 2050234.36 591606.66 1261180.97 3873159.47 2397055.35 1681601.67 3992957.91 2430742.22 6126950.72 2745100.59 762162.85 530757.45 717356.33 2396620.94 1626764.83 722089.38 1214339.87 3730744.11 1385780.3 2775973.94 1518080.78 1970586.38 457023.5 629337.72 2181229.37 3270564.44 487125.48 1169723.68 1017270.83 3271069.05 3438105.16 1100993.31 1271360.83 3824507.89 1196318.18 4882160.75 2141058.23 1217650.71 3092453.38 1885449.94 1666697.81 1024713.8 1091659.64 2802277.35 1902752.03 442224 590288.15 3631157.63 691197.17 1028077.63 739025.18 2123960.19 1598852.7 2483766.86 2821647.5 3373231.85 1736729.45 2415189.08 3693234.04 4292151.5 2393759.24 3018539.77 1544624.1 1806757.46 2741639.3 2739884.44 2748110.57 2737237.73 2755909.35 2758774.31 2755884.7 2670855.56 2753595.35 (2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone 4504.65 5992.62 6384.15 7435.42 6998.99 6381.94 7971.49 10113.33 9025.28 11655.56 8606.89 9227.81 5047.15 11038.24 9937.59 8258.61 12404.41 10157.78 11417.06 12268.02 7129.69 7904.26 7414.82 7574.46 6731.42 6498.49 7092.63 6647.39 5833.24 5640.8 5682 7049.65 6998.73 6946.43 7611.44 6156.7 6893.32 6718.1 6718.16 5800.2 4354.18 8585.49 8912.19 7041.5 9109.69 7597.25 11066.65 10153.81 8629.5 4207.49 10801.85 8442.51 7871.71 8486.11 7511.33 8977.86 9081.41 9041.09 8084.28 8952.48 9087.46 12206 10374.58 10414.65 9285.89 8692.7 11247.53 9453.16 9622.95 9328.98 9186.47 12007.53 10281.54 10123.36 10964.92 10619.4 10667.68 10650.53 10670.03 11388.74 9308.62 10974.6 10945.95 11010.16 (3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylmethylidene)-2,3-Dihydro-1h-Indole-5-Sulfonamide 12992.31 10375.82 7595.31 7482.82 18514.01 30356.3 13252.19 22799.83 21140.42 13396.66 12729.93 20980.87 12325.22 12920.89 22895.75 24565.43 15273.58 24072.88 22191.57 21170.77 12554.16 15803.23 6902.88 6923.32 10024.49 14518.25 2740.4 5794.48 16933.4 13093.33 12120.09 22490.58 12776.66 4039.79 8638.51 10004.69 12833.65 5188.28 7108.48 3240.63 12223.3 25209.49 14050.57 7048.39 21361.83 13896.75 19481.42 8297.34 14895.09 25825.25 20053.61 6002.42 8349.17 6614.53 12057.41 19997.42 12230.71 2754.5 14357.18 26939.68 13068.49 9189.16 10546.23 17149.08 12542.33 16745.8 20232.14 13444.54 13500.5 17703.33 12975.68 18063.95 16487.42 10856.29 27222.55 17305.03 17820.44 15613.86 17917.08 17234.95 17897.81 17827.37 17613.21 17657.62 Vialinin A 6287.99 14137.57 16889.61 16708.72 5328.34 14480.45 3231.38 27947.85 8188.05 12841.96 11653.09 7880.45 4684.31 13782.62 46568.11 3894.32 22596.8 9565.39 4728.97 7212.22 13481.4 8911.51 31180.53 23465.82 38170.31 19821.19 21990.88 21401.38 13005.78 5048.39 10712.1 3656.28 13083.57 19732.19 24912.66 33531.15 41631 23002.02 23060.31 24554.24 5613.98 62695.16 20923 19702.64 35191.69 5599.83 8604.74 15711.16 11656.35 7945.5 8521.29 16217.01 10719.46 20379.74 5991.82 19143.92 21588.55 23119.87 7332.77 26170.42 21236.02 20998.51 11374.42 7967.14 7552.48 3703.02 6855.39 4193.51 10501.31 35580.33 9120.07 5936.43 6754.85 8790.09 14063.08 6641.61 5653.34 6722.84 5644.67 5774.49 6885.91 8578.33 6442.51 6294.33 5410.46 6141.38 6525.83 5631.99 5855.15 6429.13 8786.5 6264.39 6728.32 6301.97 6358.12 6968.3 6301.63 6980.14 9024.29 4100.74 9282.21 10080.94 11876.38 9853.78 9779.98 10040.28 11795.02 10746.1 10722.65 N-Methyl-L-histidine 618.66 359.07 704.8 993.12 5384.68 1405.62 3729.85 4550.71 4976.17 1668.34 4503.75 10312.63 6135.03 536.72 3097.05 2604.09 378.64 3501.26 4260.79 1582 2581.96 1338.75 1117.57 1219.22 1923.65 953.71 1261.71 3203.48 1409.65 665.76 1073.54 2172.15 1286.27 2757.13 1882.46 1565.41 994.84 921.21 939.9 2690.52 1318.84 784.73 2655.33 398.57 2012.89 2997.86 3803.12 4172.44 2349.38 2133.81 2628.43 1422.55 9726.41 6520.73 592.8 1257.21 273.79 1985.16 1519.14 954.99 1453.56 2413.71 1796.6 7628.59 4895.86 7417.23 2231.19 922.83 417.8 1268.43 2306.04 799.3 5157.18 9471.12 3117.99 4185.79 4269.16 4316.4 4160.78 4786.83 4367.68 4157.72 3394.66 4143.05 Soyasaponin I 15928.49 15018.72 48424.68 35289.81 17042.8 20042.31 22980.02 17885.37 22937.22 26711.05 37720.64 46530.9 69569.08 30695.49 4257.47 49524.84 45358.32 8613.61 47943.77 5365.77 13061.39 15131.37 29928.37 23300.89 11431.37 9365.06 12723.45 14205.27 20018.99 15909.83 9896.41 13540.05 7446.12 27429.61 25057.81 10585.31 17019.88 6184.64 26468.15 16769.21 15869.25 9507.54 31788.12 28317.59 14926.83 42132.03 3349.04 26303.82 20954.42 50135.07 12534.59 16820.95 31007.89 49119.95 21377.26 16998.31 44387.98 38936.94 9873.2 15669.56 29305.2 34906.8 18130.58 40907.8 25123.82 25631.14 24858.75 29715.56 27709.77 11921.82 11250.54 39957.23 30129.51 44896.67 49692.61 31304.24 31283.82 31283.86 30866.57 31024.88 31161.25 31262.32 30869.24 30947.93 CYCLOPIAZONIC ACID 670.54 8364.49 13426.55 4710.04 21962.23 13270.11 16858.85 11941.59 13550.53 20997.13 24837.92 35327.85 25177.14 20666.35 4853.41 26745.31 3405.19 23113.61 35352.74 11651.79 11318.43 10750.51 11666.36 3051.85 13181.5 14814.94 6442.03 1591.31 8166.98 8022.82 2242.3 32962.76 5561.77 10503.98 13621.3 9769.59 11458.28 6091.5 8330.56 8198.33 1099.6 19006.05 16003.02 6058.95 33896.17 26328.29 2905.23 1876.8 10810.25 17636.98 18621.57 14599.65 20258.99 16652.35 16103.65 8394.06 16699.62 5521.98 19636.18 16220.04 22949.42 12539.59 21244.54 21430.37 12889.13 22138.39 9508.27 4112.12 16950.74 5656.83 8811.2 23618.41 19057.66 3984.27 20758.54 11202.59 10247.04 11047.39 10915.31 10363.03 11418.62 10699.49 9679.7 9694.95 15S-hydroperoxy-11Z,13E-eicosadienoic acid 10937.73 6419.88 5195.6 2781.65 1147.81 2327.4 824.27 11389.09 7455.06 11726.26 7175.45 1645.47 3492.81 3844.95 1388.46 4123.38 3129.2 1331.46 4548.9 2990.16 4327.36 4204.83 6030.4 10443.4 7826.44 3058.1 42489 34942.54 2217.95 3332.17 5370.96 6509.62 4753.71 16606.89 6527.4 1741.48 6794.8 1199.42 6464.24 8149.51 1149.39 7671.68 16641.11 7243.17 2524.57 6026.5 6583.57 9722.43 14199.83 4210.87 20022.33 3709.84 4116.75 8177.49 1036.81 1837.27 4579.1 2528.27 4551.03 1975.45 9249.74 13167.27 6740.6 1623.87 4751.75 9349.51 4303.36 23447.54 1628.29 10413.65 13993.47 21394.92 8478.22 1913.22 2927.31 4550.47 4868.87 4613.19 4181.83 4767.83 4549.15 3710.94 4564.94 3480.94 beta-D-Glucopyranosyl (2alpha,3beta,4beta,19alpha)-2,3,19,23-tetrahydroxyolean-12-en-28-oate 10082.06 5521.9 2713.25 7110.25 14980.07 6767.72 12244.6 16036.96 12044.43 7218.95 11771.27 11403.1 20016.41 2899.05 19786.48 9749.82 16578.77 10993.62 30180.75 9840.62 6809.54 4950.6 6721.15 5012.6 4952.75 2548.27 4616.04 3360.84 13314.83 5416.41 2778.93 9921.02 4528.37 3685.91 3534.73 4376.31 12077.02 1501.78 9304.19 1557.63 4960.52 9881.97 8559.65 5825.43 17519.18 3646.08 19526.12 5246.52 10763.24 17617.89 7039.88 4987.04 4723.4 4494.16 8262.51 9436.44 810.14 593.22 13844.51 2140.23 7759.03 8315.41 13231.83 13294.8 8477.86 10980.58 8874.4 10181.99 6759.16 15685.6 12654.77 17009.74 10129.35 13599.69 15229.87 13942.29 13750.51 13889.04 14281.08 13250.25 13934.83 13095.33 11448.74 13880.46 9,11-methane-epoxy Prostaglandin F1alpha 43160.69 94189.06 67018.75 9347.4 17125.44 31347.52 47739.15 62125.63 44139.91 81315.56 84534.4 61622.98 31412.48 54794.34 55341.03 26903.58 69530.79 26786.47 38538.92 44374.94 50501.45 127877.36 65022.56 87985.25 42222.62 52919.63 190372.03 347221.97 37457.05 116546.97 207630.86 70566.69 87680.69 85053.5 90660.38 39103.24 43806.2 121068.08 26076.48 108625.29 67176.75 95656.78 113820.76 52670.78 48837.68 43492.27 29380.02 94164.45 66058.29 33140.14 101787.42 59728.34 92537.57 38851.74 71923.92 82307.31 72933.41 13467.04 6320.24 170857.19 87141.56 91426.97 45970.94 45475.99 113499.83 84775.63 64141.45 122080.3 83574.06 39758.75 47260.04 97478.54 80432.36 107122.25 29114.51 20683.79 5577.95 21131.94 21979.76 18718.56 17066.9 19086.35 17644.19 15230.0 15237.94 4863.05 9089.19 9056.51 13858.0 5963.24 10286.57 10562.51 11672.85 7933.87 6453.45 8354.78 9206.12 9898.79 5072.18 7044.07 36106.72 35507.75 38732.28 36797.42 35497.87 33877.67 36562.64 36640.73 36711.66 Leu-Gln 2860.49 10723.64 3860.12 10195.39 11447.7 3450.38 5895.2 13025.37 17323.59 8196.87 2044.42 10675.9 2025.59 2033.61 35415.67 10871.4 10304.6 14670.49 20114.24 14070.18 3586.48 4033.67 1280.9 7685.96 10949.71 8205.71 3346.41 1384.61 8177.5 2141.59 2298.26 7465.52 11636.07 1659.21 1735.47 7128.03 7250.93 1360.53 1179.86 4808.31 823.54 1284.79 13482.1 2069.46 4734.99 3057.67 7113.77 10165.55 6373 8622.82 4880.81 1727.59 4833.76 6042.49 21917.5 7249.78 7694.93 6958.42 10496.23 10090.68 7960.26 1885.35 13726.41 7166.99 10714.98 7751.17 2235.73 2652.66 2479.72 16599.77 14918.18 4379.41 3416.45 11213.55 2301.19 7358.63 7675.56 7186.29 7016.68 7204.13 7284.23 7184.21 7500.87 7400.5 Nordihydroguaiaretic acid 1795 11378.27 13961.3 16164.38 8916.97 9859.1 6471.05 1214.76 799.63 1085.94 878.25 591.22 2245.81 6729.24 11944.12 3164.42 14411.9 5895.57 17922.07 4035.58 2351.07 13300.9 9746.14 1507.55 5256.36 4584.48 5878.64 4431.02 2912.78 4647.13 1444.85 4960.6 10729.39 9419.54 8848.66 4425.85 2633.53 10486.27 7354.29 6386.32 1151.31 5083.94 13777.47 6892.63 5458.91 8284.93 8705.44 13902.66 3905.89 769.29 8726.83 15868.87 16369.28 11048.29 3396.97 12701.36 11350.81 16358.34 5454.07 8653.92 6097.42 8265.58 7788.73 26442.99 14035.42 6381.77 9464.74 8934.8 7239.39 4516.92 9434.37 9100.25 5278.31 24394.43 10464.87 6231.29 4026.28 5459.18 5063.39 5964.91 6061.73 5860.42 5088.7 5897.8 Dinoterb 451.6 326.84 254.16 306.84 156.84 2633.18 182.75 468.36 214.93 541.93 358.94 369.92 413.52 341.17 717.43 210.87 220.65 584.72 499.85 696.08 395.38 357.4 341.85 805.47 436.49 666.02 170.57 531.04 354.07 688.08 326.86 261.51 558.71 444.75 594.77 562.18 436.23 333.42 260.53 511.93 834.77 554.32 358.65 1008.69 190.9 189.65 315.2 470.48 371.88 311.32 179.48 400.31 264.37 251.96 143.45 212.09 328.44 549.32 423.53 463.59 561.14 666.9 411.75 169.71 419.1 305.93 929.2 950.23 695.6 222.47 823.69 374.66 821.53 407.58 846.82 1522.78 1530.74 1542.29 1550.36 1485.43 1521.54 1593.23 1581.1 1523.39 Shikimic Acid 6403.62 775.99 38306.56 40681.78 12612.23 895.34 1167.7 20342.8 43887.48 428.15 524.92 1210.13 476.17 41684.78 22753.01 1400.42 35020.41 43090.35 270.25 1962527.37 8133.22 787.17 48551.92 34529.13 20625.66 51639.34 29651.02 24540.66 24772.91 267.58 14204.01 4299.62 585.9 36060.26 24502.19 10538.28 57279.05 2026.95 3817.98 5566.43 99221.47 788.71 34674.62 23840.77 550.03 1843.26 1006.73 1229.54 62553.94 919.19 22602.18 49721.28 39564.75 390.16 508.63 736.97 34201.12 37289.31 9108.98 389.76 1069.75 45809.8 910.46 782.8 34075.43 463.58 3069.69 78783.79 757.92 29710.72 290065.59 44736.11 1516.2 35727.57 377.83 43545.36 43077.94 42087.53 43054.01 42035.38 46031.23 41826.45 44493.57 41669.58 Prostaglandin F2beta 3483.32 1316.79 719.22 2258.68 1938.62 1703.55 2771.33 2066.48 1805.23 681.39 5143.55 13630.66 4915.72 11049.52 803.89 6840.42 1355.53 1689 5560.14 2003.36 1479.82 1352.48 5557.75 1576.11 1370.77 1149.03 1681.03 4254.38 2340.33 1381.56 1283.2 2673.5 1552.08 2135.02 2453.43 1105.29 831.04 1535.53 6181.66 2949.1 2377.77 2460.92 2811.64 4137.12 3239.72 844.58 1914.33 7635.98 5767.53 11080.92 2061.34 2336.84 5693.78 8861.72 1597.19 606.8 1933.58 682.42 1583.16 1352.66 2502.53 490.77 1181.27 2647.5 6159.55 787.71 601.33 7069.7 7064.94 1839.2 1633.12 2375.49 10670.01 6895.3 1857.19 2387.47 2109.18 1774.43 2085.16 1548.34 2036.78 2280.55 1030.5 1814.52 N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide 627.32 4071.04 1476.99 3199.69 5956.04 1875.26 1635.06 15215.6 12199.85 5850.05 4717.51 1989.94 962.27 892.98 13614.42 2067.89 3081.53 21501.15 3542.26 18653.27 2424.02 1879.59 521.42 1304.23 7911.09 5756.81 1435.57 1513.39 7252.05 1129.68 3448.95 919.25 5322.33 974.3 2896.37 5679.06 3992.76 825.03 1186.62 4949.31 458.04 1387.58 8394.38 1072.64 6328.05 1571.55 7010.95 1302.15 3539.34 3647.95 2899.7 6680.69 5915.84 9397.68 7010.01 4953.95 2675.04 4306.49 7626.6 1875.42 421.82 594.53 12053.71 7639.75 11299.61 5571.89 687.53 520.3 2913.22 7778.83 12817.64 2147.46 7434.65 12911.6 414.48 6059.78 6044.5 6062.36 6059.24 6018.82 5772.64 6061.18 5991.92 6028.58 Carglumic acid 7254.49 4163.66 388.31 26081 17875.75 26462.2 26236.76 18783.53 14222.29 17029.91 23724.41 43214.65 34324.73 25801.8 4112.45 37242.55 18738.1 41964.47 36814.66 20927.96 8105.83 1694.37 8808.98 8599.22 5888.29 5503.72 8083.59 10802.07 8200.27 7984.6 7769.26 2623.26 4795.13 8047.18 9983.08 503.46 586.41 1758.85 9162.42 6626.52 18044.95 3178.36 10371.06 21880.35 35580.05 35753.59 23646.26 5921.54 9165.65 34920.75 8648.87 987.14 12906.04 15305.37 2743.02 3277.24 7062.74 3083.22 3165.56 6033.41 16164.45 20489.84 7018.71 18433.28 29068.85 18821.37 12468.82 22791.63 29060.91 14207.96 659.18 15445.89 16529.74 24315.1 20355.04 20399.87 20712.76 20367.24 20144.22 22817.24 20163.64 20348.08 19956.98 20186.84 3b-Hydroxy-5-cholenoic acid 60920.44 40626.32 11106.74 7160.6 16777.28 16694.74 31098.25 111570.26 139149.42 37466.73 34333.14 53802.88 33647.64 38275.24 83053.61 28616.2 31727.66 53334.71 82204.91 55146.4 88925.73 34585.32 77187.02 45801.51 104470.57 51096.05 50478.95 45007.38 167430.75 43222.09 29078.2 92624.35 93629.31 45104.94 32038.7 151205.32 76074.34 15180.29 54352.32 34070.47 45763.32 44841.92 48019.68 34388.02 79371.28 43019.06 101553.4 97769.42 127040.17 52535.89 24132.45 39163.56 37568.78 52135.37 62230.13 56843.69 6469.72 26028.13 95375.05 9882.61 39368.05 45762.35 93636.95 72958.87 54826 55637.18 39516.98 75555.01 59125.2 117151.45 122201.31 53079.96 56922.95 36110.5 43568.74 779998.45 723382.26 519341.05 553880.64 699024.25 627470.66 579803.2 696054.14 681517.97 490012.38 493092.66 706196.54 455091.88 718114.67 551769.03 602945.87 566958.04 812340.76 676566.62 730682.08 711949.87 780409.39 61682.3 61667.17 61668.91 61120.86 60523.82 61480.12 61261.97 61662.95 61264.86 Troglitazone 4823.7 535.59 5335.46 6658.9 1639.16 1135.98 5399.69 9300.84 11409.83 1102.74 7560.85 1109.48 1129.81 1982.62 5962.35 49645.47 20786.74 1309.39 2417.35 1893.5 6137.17 2686.75 4534.57 5184.58 6514.13 961.1 2881.84 2990.05 5639.79 12450.97 2446.01 855.64 5619.08 5153.43 5127.78 1897.79 1131.84 1381.83 460.08 4127.98 6794.53 1732.34 8110.53 525.98 1492.16 1377.87 1861.46 1807.55 12170.77 15189.21 1229.42 1446.81 6722.44 1067.73 874.37 1597.13 9082.74 6236.13 2516.09 9103.86 8329.17 6406.68 795.76 3808.57 73921.96 1892.5 946.01 7801.93 46367.48 917.91 3935.52 606.25 5787.97 24660.03 2477.19 5764.44 5093.02 5703.78 6079.21 6000.3 5648.27 6004.04 6164.65 6496.25 6-Chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline 3448.73 2870.01 601.01 607.91 9246.51 2083.28 2126.97 9691.58 22523.94 4615.38 3040.17 5854.76 597.76 3758.75 18551.69 1850.53 8851.5 17872.75 11670.49 19774.8 4659.58 1615.17 1858.62 377.71 9641.52 8526.53 1355.5 2660.7 17976.71 4364.2 4891.09 4442.36 3520.8 1355.44 1241.4 4554.59 16674.68 813.65 2270.28 1871.95 6453.95 27839.63 3057.72 1468.55 3981.35 2870.48 6876.14 4590.59 2018.07 3340.9 5243.26 2783.79 1118.72 2807.88 3691.69 2567.38 728.37 1176.46 4961.01 1891.2 1074.02 2123.7 2198.18 1054.01 4475.19 7950.01 3280.9 4043.71 4575.54 7475.51 13395.35 17038.34 5907.74 2209.89 2457.23 4894.57 3913.67 5345.23 5495.44 5289.75 5227.6 5474.93 5288.89 5212.61 Equol 1124.24 2148.7 1606.87 2191.41 1427.87 2895.45 2988.16 2423.08 455.59 1529.59 1725.02 1852.92 4529.82 1180.51 3545.26 509.14 1360.97 3409.88 3466.16 1368.62 1239.42 1923.54 949.65 723.55 864.49 986.43 763.57 687.43 1043.72 653.23 649.55 2260.54 1041.13 721.78 772.99 1239.92 843.2 495.53 2642.1 651.37 1716.24 866.46 630.51 2711.67 2816.39 2326.77 965.83 367.6 1303.41 2058.86 1232.95 2692.44 1791.96 1960.9 1996.9 4319.82 831.38 919.78 2224.14 1949.31 1154.16 1592.04 2067.26 1392.24 813.16 3748.83 1267.18 2673.45 1600.11 1221.48 1757.73 1734.08 937.53 3362.43 2603.61 2418.73 2421 2423.9 1841.82 2421.52 2313.83 2435.03 2335.09 2301.38 N-Formyl-Met-Leu-Phe 1254.63 1831.16 1234.21 896.29 736.99 729.04 3492.67 1522.61 717.61 2527.39 2305.62 1851.46 1174.17 1784.19 1615.68 2482.87 534.69 4046.68 677.76 1761.12 622.51 1880.37 1303.21 680.22 1546.03 479.87 573.14 931.96 1459.66 655.9 293.02 3298.83 518.92 668.48 874.79 1194.47 734.74 329.47 607.01 392.88 3125.56 1536.03 2181.36 860.75 3867.8 2549.48 1940.56 2756.68 1412.86 3069.44 1208.71 2459.18 931.3 605.59 1561.71 2274.55 1316.95 789.49 1121.25 296.3 1399.99 393.7 1376.64 2775.69 1158.57 2128.92 1385.76 5827.08 2137.3 1324.46 805.51 2964.06 424.88 2381.11 614.68 1573.98 2893.03 3906.08 3263.14 3241.03 2595.84 3043.97 3121.38 2794.26 2-Phthalimidoglutaric acid 44965.2 47434.46 16399.28 27406.69 57679.82 74807.08 36963.11 62885.98 72108.04 44553.93 33279.88 91576.34 84911.76 54965.08 73779.49 46771.77 30689.58 128073.12 74254.49 135355.88 39439.23 34268.03 20280.38 15497.21 32023.31 32132.44 12298.08 16026.79 73491.83 28446.19 60386.65 59741 28274.58 18350.13 13597.63 53313.33 35809.67 11319.19 24073.53 10809.41 111480.42 73438.07 30597.83 36789.14 129533.81 49592.95 116063.07 59262.66 35668.33 92422.1 42210.84 58573.82 29752.83 35730.5 50699.92 57030.29 15333.04 21932.91 54086.26 40909.04 22754.84 33100.65 49758.35 34853.46 41040.72 92807.68 90210.46 38796.77 44794.06 56503.63 54659.15 45617.64 26330.35 43419.28 36979.43 60615.01 60984.38 60989.84 61701.36 61798.32 61497.67 61709.2 60954.89 61730.78 Dinoseb 9099.37 16166.4 10946.07 14236.23 10391.16 6755.06 8784.29 3184.53 4043.47 13735.18 17301.49 11570.02 12798.7 16284.38 8825.95 8609.82 5245.57 2881.05 12253.41 8214.52 11811.82 9666.16 13251.58 11107.81 11663.79 7364.75 2530.49 14890.26 15051.79 4175.73 9235.44 13430.03 10206.06 14607.43 12736.05 16333.39 11182.55 6929.17 5997.41 11379.73 9937.55 3690.49 15721.8 14812.29 3251.64 3819.76 8139.34 14190.95 14941.51 4040.88 7406.64 15129.82 16075.3 14962.94 11671.76 19864.68 9716.36 11589.14 9083.49 8299.98 12671.12 12635.27 11717.3 15945.02 13531.6 8715.12 9553.91 16422.68 10673.66 5385.59 8787.8 6652.85 15848.3 14593.26 19676.33 10058.34 8643.27 9251.5 7898.75 9150.47 8359.15 7720.84 9164.9 7635.95 12-Hydroxyjasmonic acid 7608.69 16025.66 16450.66 27235.43 15669.63 23248.36 32468.68 17390.02 6955.22 28193.24 37404.96 35039.35 51337.96 34678.68 15305.76 29383.42 24868.43 19859.79 44495.41 22570.01 6450.4 14161.81 24211.15 37767.54 7732.81 3359.72 25493.97 21547.46 19340.68 5296.08 5035.18 28605.99 11137.57 28905.69 20135.42 17070.5 5910.68 6181.03 31750.47 17249.06 8484.91 11898.93 43148.47 26020.17 16603.83 13513.08 13386.42 30450 18345.77 26602.35 5379.75 23701.17 47251.55 34320.58 7070.33 19521.08 12341.63 27058.83 9142.1 13051.89 51347.99 53889.7 10617.05 14865.46 22435.72 22253.1 5025.91 30208.23 23895.96 3717.94 6953.2 25854.52 10149.59 31993.49 28329.96 13717.94 7228.14 7452.03 3893.96 8488.9 9518.3 8730.17 10444.18 9909.96 9459.6 7845.8 8068.51 8807.34 8392.76 9747.55 9193.63 8824.37 9217.7 7816.43 8583.45 9381.51 10559.73 10093.59 8328.81 10286.58 21500.06 21766.67 21224.72 21769.69 21547.29 22067.7 21772.12 21552.17 21774.91 Tolterodine 2040.95 758.99 1168.36 13480.95 36304.62 35217.78 52208.1 1252.11 1439.02 1662.22 1932.99 2023.57 13659.14 1110.85 1549.77 3508.3 1066.03 1549.52 4085.08 1320.18 1696.59 1278.78 799.51 945.05 1106.42 839.17 534.57 804.41 550 830.64 238.9 2254.22 325.68 2759.51 386.64 616.96 2123.39 205.33 1607.37 408.24 16263.47 4841.91 1064.59 888.57 1087.68 14244.29 1475.62 926.78 570.66 1655.31 3540.46 925.3 1278.8 1900.41 5065.85 997.21 125.89 868.98 2580.45 1305.57 1324 2200.53 1008.1 1072.08 834.93 1514.77 1050.35 338.57 1808.42 1478.03 1039.63 986.26 2107.38 1934.43 2829.58 6691.19 6568.12 6559.75 6708.23 7195.39 6570.35 6688.39 6164.17 6567.91 Paxilline 302.22 538.71 305.1 7430.35 33794.46 7300.02 11223.8 1090.75 746.01 230.15 275.28 428.08 2543.48 1101.83 312.06 2449.24 576.93 1379.46 1085.99 267.58 598.6 2203.77 1068.78 251.47 438.68 680.82 779.8 270.4 1632.66 1385.58 559.15 202.28 826.15 2257.86 1271.69 388.52 1344.95 964.03 1242.36 890.63 12692.48 1117.09 921.03 1155.07 955.48 783.58 439.53 317.47 1761.14 1497.84 704.89 378.03 1338.73 1525.34 607.25 989.79 221.36 1086.53 215.71 1989.65 1223.24 1971.18 1246.23 1670.16 230.9 433.32 1053.38 350.06 453.31 992.23 235.16 289.61 1272.01 265.97 371 6339.78 14104.89 6345.62 6659.5 7932.78 6076.28 7873.45 6424.93 6666.64 6787.34 8387.6 6301.22 6232.74 5732.47 6817.29 7470.25 6716.06 5549.99 6516.65 7234.97 6571.15 7110.15 6406.36 6419.77 6550.42 2624.03 2483.2 2630.53 2507.31 2481.31 2618.75 2509.41 2619.85 2569.17 N-(3-nitrophenyl)decanamide 3299.11 2765.12 1874.61 1597.98 8555.9 4591.43 3080.24 3907.33 4562.84 7500.51 3541.03 9894.34 6802.3 4338.54 8646.15 11597.18 1488.62 15976.69 16549.88 4311.05 4578.9 4563.99 3857.97 1810.98 4453.05 3651.78 1252.95 1989.13 5033.03 4125.48 2509.12 6965.09 6353.07 3493.67 1511.32 8333.51 7334.51 1925.48 2278 1058.89 2483.97 2889.23 4652.93 5746.13 9342.25 4703.67 4809.72 2860.85 6673.82 2841.72 7803.67 3370.61 5861.99 3121.91 6028.92 3982.62 600.66 2875.89 17598.52 4139.4 2507.34 2088.62 6572.87 5705.94 5158.47 7338.28 2517.02 3009.64 2741.59 6306.93 4112.15 4849.47 5322.94 2148.39 2599.71 5271.28 4137.63 5163.95 5851.47 5179.83 5609.51 5202.49 5164.33 5156.71 Oxazepam glucuronide 3192.24 6348.46 5548.65 8612.63 5033.45 2721.71 7473.85 4492.17 1040.18 7307.29 6223.35 7759.84 7949.17 7632.22 8184.46 2288.24 7062.49 3574.45 10729.08 756.15 1088.41 6234.31 6625.37 8678.3 3219.61 3632.42 7194.55 4645.94 6801.07 4639.93 3416.03 5480.03 4784.33 5401.32 6217.37 4780.02 3819.14 1240.56 7742.64 4246.51 3248.45 4589.42 7247.86 6562.8 2339.64 3606.79 4544.59 7841.97 5424.82 5829.61 1284.46 6449.69 6261.25 5555.63 3840.52 5360.42 2349.38 4078.12 625.7 4146.48 9107.06 8081.28 4088.08 3215.88 5859.62 6068.26 1329.75 5955.95 6449.7 5325.48 1789.08 3631.34 2426.24 8234.95 7135.08 4859.46 4975.06 4975.67 4824.76 4861.64 4801.76 5103.95 4832.09 4937.92 Salinomycin 5546.61 8192.02 3999.42 13103.42 2500.33 854.41 3918.46 8949.88 7525.61 11238.87 9947.97 8858.27 15694.18 9207.62 7943.62 8955.95 5073.41 5174.06 13665.94 4150.62 1563.7 4460.21 7335.27 5587.24 2718.06 1301.48 2941.77 3695.25 3358.19 1620.24 753.46 5180.93 540.03 6427.57 4736.65 2707.16 5623.94 2357.14 6638.7 2770.32 2659.15 3432.39 9284.51 9581.73 5223.92 13610.26 9754.53 5623.25 6249.84 12341.51 3778.79 5727.39 8348.94 12669.98 6374.5 5438.64 1912.23 5435.49 4388.25 4642.4 6902.34 4057.73 8105.05 10305.48 7442.95 6291.73 4913.15 7818.82 10267.11 6632.44 8476.95 8612.96 10490.93 10498.59 15044.09 9301.49 9739.25 9807.27 9674.15 12039.61 9338.72 9852.93 8728.43 9313.13 Ethyl tetradecanoate 40237.28 18013.85 2878.51 3862.9 34489.61 14232.83 43252.75 53567.15 105388.09 22421.15 17429.45 68917.21 35406.09 20746.78 25888.82 30822.86 11114.18 40235.54 41626.84 66355.06 42544.06 8369.64 13754.48 3825.76 35997.76 31402.3 18823.43 14990.24 45473.59 32386.04 33105.23 4376.25 8076.64 5892.7 4220.1 34958.89 34130.11 5425.72 12498.58 6836.45 51368.04 114140.38 11247.64 22529.28 108943.2 31223.41 51669.97 24250.56 11317.61 24456.85 25887.07 30517.76 11862.38 20126.79 50324.49 14929.84 3067.32 2317.63 36228.3 2667.36 20149.78 1528.54 42177.94 11255.96 7164.91 73757.18 60384.22 30504.52 29798.25 47444.68 21870.31 56475.13 14539.87 10472.05 29501.53 37564.8 37786.47 37785.9 37723.48 37533.26 37555.07 37543.64 37265.48 37466.78 19R-hydroxy-PGF1alpha 8716.64 11799.46 7748.61 20165.17 20417.52 27146.96 16971.51 14832.26 17264.47 14741.9 17569.13 12327.12 16467.7 14241.2 16133.33 8980.89 8002.07 13581.83 12048.11 12993.38 11827.95 10743.48 8005.34 6974.57 7961.11 6158.74 5299.62 8939.32 9903.81 3401.78 3693.82 12678.8 4535.08 10652.24 8438.61 9687.98 8414.57 2976.09 18726.5 4984.01 9069.63 14371.76 10587.53 8226.45 17713.75 24869.9 6529.55 6714.74 5735.63 11665.53 13030.26 10547.75 11566.87 10513.63 8453.08 8765.5 5066.53 8231.84 8869.34 8679.03 9271.62 8968.82 15409.23 9779.38 10669.57 7385.96 13355.52 9136.09 9452.45 3960.45 6340.4 20478.58 8259.08 11272.17 17990.49 15667.46 14281.66 15065.87 13536.58 14457.13 14979.48 14823.34 13296.64 13790.62 Bestatin hydrochloride 19654.6 11057.38 8096.73 11467.96 44442.2 14849.62 14890.09 23240.41 18011.04 20847.61 16536.34 35159.06 34159.81 17627.71 19726.16 46770.93 14579.76 23721.94 30980.55 19917.7 21344.89 12264.95 16845.96 11017.85 16001.63 12157.47 10082.46 11315.21 22010.52 36238.15 13649.21 61698.11 14388.99 14690.57 9840.39 15303.87 16093.24 5311.85 14186.79 7103.89 16937.72 34036.73 16798.52 16867.54 25454.92 29973.09 15083.58 16881.67 39057.99 34179.08 64353.03 14940.54 17258.23 16191.17 18564.77 14303.89 3258.93 14690.53 27735.09 17853.98 13670.88 15938.72 19799.33 16290.07 16775.23 27892.17 15679.86 18765.94 14303.54 18591.29 13256.49 22125.36 17436.19 13518.06 18964.55 22047.57 22650.51 22549.19 22963.56 22319.61 22322.49 22325.29 22317 22484.49 9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid 14905.75 20269.8 36389.52 16045.89 10805.2 16495.42 11316.91 26905.25 14731.54 31227.99 21531.65 33798.08 4355.33 15901.82 17121.32 15746.7 47277.18 28424.72 26848.92 14347.2 19826.53 95505.15 55344.78 60071.69 73049.64 13462.98 94211.18 58494.63 9259.75 11978.51 45474.87 5251.58 18747.02 78225.17 89808.41 42158.11 11361.28 156907.96 18879.1 130088.35 15679.92 7299.76 20822.41 40080.68 28656.16 17652.28 49263.07 22379.77 9986.35 19773.53 48570.01 6743.27 67642.76 32675.98 23815.6 11363.11 251863.93 21226.45 25798.42 31516.25 33281.53 149668.06 32441.77 40092.95 116183.52 9759.66 13115.86 49269.71 24960.8 15228.58 57471.83 46556.76 69916.06 24276.78 39551.97 23684.23 22383.9 22435.86 19950.51 23737.07 21270.15 23536.26 25751.75 22800.61 4-Chloro-4'-hydroxybiphenyl 86116.7 84009.23 78213.11 77685.76 91504.97 63630.85 79563.83 108506.33 112422.38 106233.74 59689.59 137790.71 118638.99 93544.87 94873.13 91315.13 77546.84 108250.39 128491.59 93089.27 62773.06 57082.15 80695.63 76227.71 89341.26 60430.12 60630.76 75331.97 92422.35 55318.41 47229.26 82325.42 74995.84 73259.39 77868.06 102250.03 72156.57 18763.44 86526.29 58927.08 76705.31 82232.04 89536.55 91575.74 113350.69 71278.32 109062.77 114843.45 67214.45 92434.07 73316.73 92025.13 90287.94 69926.42 82531.07 91875 71990.49 84039.06 94512.89 61082.09 82862.87 103501.25 101853.52 76378.89 96280.33 100691.74 71287.91 117024 107563.02 95247.46 78623.83 84601.49 50969.83 72895.67 73648.68 95175.66 96649.11 95262.67 95442.98 95782.26 95860.77 95861.9 92301.78 95835.57 2-Acetamidophenol 7641.03 1321.19 11429.45 19401.71 6410.24 39181.07 11444.99 2790.66 2460.59 7389.76 1914.79 7361.61 15440.71 8155.36 7938.15 8644.25 19255.62 9926.97 4389.28 2117.07 6528.27 1898.17 21462.16 5744.06 6875.87 1828.38 10691.03 4619.07 5365.31 15163.24 5547.73 4956.69 6960.99 19874.17 16648.26 7156.2 8591.38 4294.66 6004.45 843.36 2394.74 4239.46 23714.42 1869.51 3660.2 21302.52 7872.9 2572.05 18386.03 56009.27 7420.42 8152.42 9070.03 21292.03 4859.56 2767.49 9659.84 10416.66 5080.39 10476.08 16488.56 10356.71 2816.22 30974.17 6815.67 10114.06 16311.82 11943.15 18384.49 19340.39 4528.93 1748.68 4395.62 26329.3 10462.95 4055.72 6716.27 6713.18 7361.81 6306.64 6399.92 6799.79 6574.27 6605.25 Lyngbic acid 350.1 509.72 631.73 4152.52 712.96 2248.41 1892.26 520.68 1357.43 711.23 421.57 508.1 9552.29 422.02 651.86 1809.21 1281.6 2201.5 418.31 2677.81 637.05 979.67 431.26 553.75 1169.23 330.62 2177.24 575.8 1453.35 917.82 1208.26 509.58 496.28 587.74 1820.58 371.96 313.38 1235 2080.56 1233.43 1395.87 1685.41 676.51 518.62 350.16 2903.01 466.36 506.58 607.16 3256.74 1520.85 491.99 2627.55 7727.72 2132.48 404.03 517.82 751.91 1871.79 413.48 1078.96 2220.06 1517.85 1596.64 518.46 2164.82 1849.81 950.69 550.42 1513.09 1511.13 3233.09 2289.02 1429.19 34891.12 4575.73 2615.74 3871.4 3921.52 3635.46 3745.45 4178.11 3773.4 3442.85 4275.41 2040.31 2345.83 2737.81 2763.68 2903.58 2279.7 2291.64 2333.94 2568.48 3220.39 1398.69 2741.88 2206.56 1357.5 1048.99 2134.44 2521.35 2139.29 1964.36 2093.53 2075.88 2004.69 1975.51 2144.53 4,5-Dihydroxyphthalic acid 872.06 7935.4 11794.92 399348.74 139032.18 320525.27 419241.27 324.46 11211.33 13833.02 8559.52 2644.59 92771.89 8143.79 7638.84 26326.56 26832.76 2467.76 121.93 6530.71 2435.59 36703.49 3683.28 1676.85 7997.02 1941.37 3581.18 1755.83 838.82 2885.74 19586.24 3751.07 3220.01 22248.53 8670.38 8290.34 123.83 1906.73 3135.32 2019.38 30686.9 6918.19 15313.89 3654.11 8100.75 188310.16 7453.04 28778.42 1177.92 19532.24 3468.61 13843.94 6129.64 36022.86 2481.88 5485.69 4533.54 5083.26 4498.29 23506.45 3039.67 29437.23 6406.76 10985.59 3701.04 3029.77 9787.89 2911.23 8437.71 9236.07 7311.61 7293.07 6204.74 16137.41 44076.55 36044.07 36055.07 36415.86 36182.27 36220.57 36423.06 36659.67 35680.19 36043.19 N-Lignoceroyl Taurine 1268.13 2346.2 3675.11 3795.8 1624.35 1317.45 1966.75 2163.95 1362.21 2298.1 4006.88 3252.39 2700.99 3557.07 1871.8 3034.7 1466.55 1218.28 6782.61 1777.73 1383.81 2227.96 3922.79 4793.56 1884.88 1417.15 2822.51 3726.5 545.27 1904.54 1017.96 3437.09 1063.32 2792.36 4177.5 1694.54 1621.48 1044.86 3736.05 2592.43 1583.82 1680.9 4894.92 3932.92 1192.64 2782.85 1557.44 4609.82 3668.04 4426.66 732.04 2171.47 4736.88 5141.06 747.86 2371.07 3436.58 4098.13 1840.01 1032.66 3318.37 4406.86 944.13 4268.71 3854.54 1883.55 1020.94 3277.16 3486.7 2069.01 949.14 3034.11 3630.87 3322.75 3882.44 2725.58 2763.85 2727.12 2728.1 2701.05 2743.04 2725.63 2772.94 2765.17 (1-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)phosphonic acid 816.97 428.12 369.27 557.52 312.56 119540.52 14803.42 1053.05 220.52 382.15 164.52 276.4 445.89 152.19 465.02 244.84 75.6 844.49 617.04 170.98 202.77 84937.41 89.35 146.13 569.42 115.25 83.01 146.84 861.88 106.93 315.35 171.41 800.06 159.16 80.73 170.24 171.57 414.23 114.22 626.83 205.9 292.81 178.03 169.86 422.94 227.22 418.63 177.83 464.24 561.84 692.35 307.4 173.66 245.59 354.81 394.58 1106.19 674.6 182.28 102451.79 211.44 47761.52 237.95 256.29 502.59 385.53 1082.75 136.47 241.54 102.56 1018.61 341.23 61.15 381.63 312.12 8103.15 8171.8 8167.48 8248.67 8128.48 8139.97 8154.07 8103.45 8103.78 8-hydroxy-2'-deoxy Guanosine 19305.88 8013.33 1699.4 4457.82 16436.22 5722.92 6581.87 24818.26 23507.01 13923.15 8892.43 16881.97 11937.15 9947.35 17457.85 11938.97 9471.42 18913.76 24351.94 28155.36 15433.22 3599.02 3745.41 3246.59 16385.61 6390.4 4722.83 10302.21 18155.52 15135.9 18347.6 10747.14 9508.43 2985.07 2627.18 16027.95 13255.15 1752.75 6756.56 5372.07 26654.36 23365.07 4971.16 7603.07 22520.38 11159.89 29046.9 10035.72 15966.2 23926.15 12690.52 13080.45 4870.93 7321.1 17669.75 7324.53 1127.98 815.49 17658.52 2547.13 4218.18 4188.47 8950.61 7210.46 11592.62 19097.57 14110.41 14677.54 15762.53 20659.76 22634.34 12430.07 16130.33 7444.01 9110.16 7312.03 4422.5 3416.88 7070.5 4562.67 5150.95 7942.91 8382.08 3709.92 3123.76 4867.1 537.62 7423.68 10429.9 4911.2 11455.85 3842.98 4717.43 8471.31 9101.16 5365.97 4492.56 9159.31 5414.53 11761.74 16902.28 16826.19 16345.38 17070.17 17068.64 17026.55 17565.3 16888.09 17077.6 Rosavin 14037.22 13203.73 1721.04 6573.48 24372.11 25745.55 7140.25 22016.49 24020 13568.88 8567.63 1960.8 5472.53 3014.62 28729.51 7213.24 4398.72 22287.65 3842.72 37278.76 15910.77 9041.54 3411.32 2368.73 9530.67 8769.1 4106.01 3080.31 11109.47 2148.14 6766.93 10149.84 6217.44 4307.09 5532.51 11443.53 12217.72 1599.67 5692.73 2413.29 18933.77 18859.14 4039.6 6112.73 18276.9 8154.4 29099.89 9285.54 8734.81 11905.51 10809.1 15497.15 6638.53 6543.79 13421.16 18405.8 2635.18 4417.57 22090.43 10511.38 3246.42 4880.99 12870.16 9576.28 9253.2 20313.52 51146.75 5214.79 7617.87 30860.31 21692.83 14907.2 6977.62 4935.9 6019.68 14086.61 13328.76 14131.97 13449.63 14254.78 13329.91 14036.87 14005.52 13042.41 14(15)-Eet-SI 8843.48 9881.28 5270.53 10950.57 7772.54 7987.71 6299.54 6740.07 6657.71 3699.37 8864.47 6453.18 1570.98 3358.07 16952.51 8646.75 12329.24 14880.75 13128.13 10878.25 7101.12 3597.93 2774.54 1700.94 5019.98 7668.97 4178.69 3501.25 9417.1 8204.36 6548.39 5771.85 8554.87 4703.18 5465.86 4249.8 7719.52 2952.42 5620.1 6845.67 12351.31 5314.15 7075.24 9920.99 8583.2 6599.59 10447.65 9529.9 2846.33 5940.6 5476.49 10149.24 6071.5 6152.25 7650.74 10847.72 7633.36 7332.91 12284.11 12110.06 9173.64 7908.17 10813.89 11084.16 12802.66 5354.03 6301.1 7859.88 3791.23 10101.51 11181.03 13599.16 9252.38 11998.19 8277.32 10700.74 11047.92 10513.08 10612.68 10702.86 10385.19 12023.83 10149.14 10362.72 3-tert-Butyl-4-hydroxyanisole 103791.16 149940.43 138036.48 175199.73 98146.11 109294.14 141028.36 111810.01 127034 158657.39 161684.46 171153.61 139215.94 170841.52 162855.06 174990.75 148330.92 194406.91 148629.85 134883.91 114856.52 138806.15 117678.36 157962.66 103865.16 113392.11 99218.92 131779.1 112838.62 164088.13 104034.08 118908.62 122114.17 118772.1 142160.98 121158.79 136655.22 90160.52 138335.67 147453.83 142778.34 107990.64 174892.96 194371.7 137048.87 137616.77 127146.83 140319.8 114182.19 114143.08 107807.1 166484.87 133905.34 155925.14 172668.48 164588.43 144631.16 191581.6 132476.79 168338.01 174980.89 177125.61 139364.96 149059.37 154214.11 107770.65 115496.69 128743.54 183737.01 102144.04 97074.92 107122.88 145419.46 127261.85 137582.77 6292.08 6052.56 6354.02 7415.62 6293.89 6202.93 5448.39 6428.87 7327.76 7143.46 9733.86 7005.7 5919.76 6700.87 7125.35 9518.85 6723.48 6180.93 6992.44 6872.07 7167.51 6903.82 6538.34 7090.32 7354.56 76325.9 83369.24 79381.52 79859.26 80420.14 80277.04 79389.23 80476.02 80368.26 Gly-Leu-Phe 1615.74 2407.25 2131.27 2046.27 8045.24 2023.29 1733.62 4759.51 4015.64 2746.14 915.2 2639.98 3134.59 1634.79 7439.09 4760.89 1475.93 6927.24 7536.8 8459.67 1276.8 543.01 1969.8 2284.87 7738.38 3965.37 1556.01 1989.98 3839.61 2395.12 536.05 3940.19 4360.24 2133.18 691.52 2878.97 3576.6 610.31 1692.19 1025.16 556.4 4293.53 3183.3 936.2 2745.33 2478.8 3775.06 2042.47 3182.48 4327.47 3754.36 557.32 4031.98 3831.14 6337.29 2740.75 2084.51 3105.4 3122.38 2844.11 2202.5 1863.56 5103.93 3294.66 4321.26 5369.65 795.89 395.17 1779.6 6422.18 4189.29 1697.2 793.24 5741.94 3071.18 3705.91 3524.49 2732.66 3405.44 3552.16 3683.98 3530.37 3828.02 3892.61 Acetylleucine 56867.15 15818.31 2819.46 7138.86 38609.55 38534.37 24405.18 71157.44 40491.01 58940.76 24506.61 67665.66 93806.78 48492.21 20997.15 27373.77 15238.15 40797.7 53874.24 19524.48 46866.56 2873.67 27492.96 15690.84 31274.4 8988.46 7396.86 16183.2 25609.56 43407.12 38950.07 49174.97 18994.14 19943.12 9250.11 35291.67 39314.56 7043.66 26186.64 7018.29 86448.36 50750.14 10008.57 33566.56 82574.96 46172.76 38093.59 26430.52 60209.82 75768.49 31852.05 57658.44 20202.97 23463.8 27325.94 31201.38 4309.71 3072.21 35962.37 518.91 17395.84 20046.6 16761.06 7832.53 11735.72 47326.98 36319.87 33498.05 33681.42 39771.74 20851.6 30046.16 15665.26 2713.97 15866.89 37184.47 37184.25 37447.21 37442.73 37440.89 37194.23 37182.54 36187.28 37441.17 ethyl 2-cyano-3-(1h-indol-3-yl)prop-2-enoate 7787.4 4131.36 2592.61 6194.47 9377.59 14172.4 8169.07 9257.27 10564.54 6249.08 18551.62 11794.86 6181.58 6252.54 13494.38 6945.22 8740.77 6888.45 12633.06 13442.76 8724.96 4705.98 5862.39 4149.36 7866.46 6283.71 4474.71 4618.15 7319.86 2954.68 8430.88 4076.84 4019.46 5436.83 5681.14 6520.49 5303.19 2259.64 6682.14 2637.81 13995.24 13017.35 7529.04 6298.13 6752.8 9618.86 10519.49 5997.54 5200.49 6702.24 6342.48 6892.12 5251.48 7309.85 4900.72 9691.49 2638.94 2954.37 12161.31 6882.01 6313.69 4856.26 6615.65 8110.47 8022.42 5715.12 11857.86 4779.83 5658.13 6817.01 9396.5 10359.53 10903.32 6320.31 8829.93 11033.34 11000.08 11506.84 11505.89 11084.93 10695.21 11040.18 11607.67 10981.16 6-Hydroxyflavanone 7444.37 18321.16 25858.02 14817.93 2299.02 9552.22 5116.55 6327.57 8278.57 28436.58 22319.44 5654.25 3631.98 15223.64 5532.91 7106.2 19662.45 4126.44 1919.92 5876.02 10546.64 6821.8 28019.91 32148.85 17809.98 12793.08 26310.92 17368.44 5625.8 14970.75 4189.14 5132.2 6490.39 19240.49 29241.43 12905.55 21100.3 24282.42 23113.53 48063.16 1613.94 8411.03 23223.78 25539.38 5924.86 6720.57 3589.32 3303.32 12446.15 9748.31 12001.62 20797.09 21604.83 22357.81 14178.34 16864.56 46586.83 33865.42 6706.33 17451.97 26442.36 13701.6 28852.86 18479.45 21416.47 13180.89 9734.32 17250.6 22433.64 6860.46 10049.08 13842.35 18644.52 21395.37 10046.71 5913.26 5788.91 6041.66 6049.79 6111.3 5449.42 7085.04 6098.76 5548.19 (E)-5-(4-Methoxystyryl)benzene-1,3-diol 53165.45 8184.85 2981.52 3614.24 42578.98 4152.37 4416.17 10997.15 58215.67 32711.69 10438.56 11333.15 13933.5 13374.44 44984.85 34971.51 20715.91 56973.5 23274.35 127139.39 40712.42 3389.03 3048.89 5849.24 8753.49 32585.59 13426.91 29731.62 53214.16 24277.99 31061.37 27488.25 27844.41 2949.95 1514.99 30365.28 30256.26 8620.02 6858 13318.11 44170.14 46049.07 6836.13 9099.54 72590.74 6447.72 80269.48 1456.23 1302.62 59493.24 11590.25 8513.75 4453.3 2788.52 36566.38 3475.25 2131.6 1779.2 49914.51 3639.68 11796.87 2334.62 16508.61 6681.35 12903.35 38535.08 19808.97 31999.59 38181.99 34742.54 54002 30837.01 12394.68 8890.15 18981.81 24308.63 24223.91 23275.55 21480.4 24250.16 24291.93 6233.51 22561.73 22240.11 N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide 11801.01 11568.06 11820.23 13197.96 12982.52 4463.04 10728.05 15517.3 16533.11 10871.2 4061 18860.76 14595.96 11118.19 11488.76 9873.89 9346.07 26046.68 16370.43 16224.95 10528.04 6603.24 9129.84 7854.4 17059.32 6090.96 6748.98 11167.93 13646.49 12728.44 6620.07 10945.11 11050.92 8583.33 7089.47 11131.17 11659.49 1846.16 8612.94 7301.57 10843.2 5866.2 11697.33 7507.01 8834.4 7079.86 14252.35 20156.43 4820.73 6426.2 5907.57 8524.31 9021.93 4388.33 7711.88 8288.27 9471.67 7989 8873.04 6548.52 6832.56 10754.66 13661.4 7873.36 14497.08 10260.63 9046.95 13473.25 14893.41 16367.67 7833.23 9588.21 4104.85 4442.36 5457.56 9544.24 9656.07 9773.2 9546.65 8876.98 9775.61 9976.89 9773.86 9522.1 [(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid 709.69 1320.48 635.47 1440.77 967.16 555.9 1781.19 4876.31 1143.43 2990.56 1607.1 2412.34 2019.23 3689.19 8211.21 823.34 597.27 21364.94 27581.87 3252.37 2717.01 3532.97 2308.69 1696.47 1635.6 890.83 603.74 1060.49 1686.08 2030.16 2294.28 8026.13 4654.74 1732.29 595 4263.64 7054.93 557.11 728.26 763.21 877.07 2763.4 3549.45 2092.55 3772.78 836.29 4134.97 3151.32 2520.81 5390.39 2724.88 5221.81 1759.41 869.47 2901.65 4061.76 1714.57 1184.43 7460.42 489.84 719.64 1215.26 4021.31 4727.38 3971.29 1587.79 2244.42 836.25 1007.64 5432.54 929.26 2585.59 2428.58 1611.27 728.21 3062.74 2808.79 2792.5 3074.23 3040.96 2600.56 3023.41 1225.79 3024.6 2-Undecyl-thiazolidine-4-carboxylic acid 25889.41 25714.02 15113.58 23081.95 35798.01 41832.56 28587.33 35877.89 36502.18 27853.1 28306.54 27435.76 34876.47 23275.14 36579.32 28353.64 23557.55 37060.79 32835.14 42974.81 28471.44 26690.55 19745.26 17526.55 23666.66 21298.02 12027.02 20803.39 32966.82 14023.31 25394.63 26998.85 22241.11 18331.13 14409.51 26344.48 27462.56 10061.66 22193.03 12286.78 43639.89 41479.67 44146.3 22656.83 41513.43 25529.82 37060.15 24901.27 19421.44 28880.35 26624.22 44160.34 24961.33 24094 28352.64 31200.03 14496.51 15529.17 34390.41 29658.06 22034.84 23518.29 27117.68 25023.61 24985.66 38739.59 38904.53 26232.13 25005.11 31801.6 31940.98 33233.11 24388.32 26500.53 55278.01 32793.52 33023.3 32832.03 33025.55 33016.96 33157.47 32865.17 32743.03 33026.8 Codeine-6-glucuronide 2513.13 2060.34 1967.24 1980.61 8441.78 6579.55 3144.99 5133.09 2578.21 3536.5 2428.58 7479.89 3557.5 5597.77 2515.53 3706.72 3773.79 3876.48 2385.65 4993.84 4232.38 1727.35 769.72 2648.36 6371.57 2724.86 1076.43 1044.05 2584.24 2569 1092.8 1761.53 1799.11 400.42 2529.66 1875.13 6526.29 595.96 1699.52 3045.59 1011.71 3278.59 4749.68 1016.62 6600.03 1622.93 11485.81 6637.68 551.7 3770.14 1861.86 6494.77 2715.72 3788.58 10160.61 2393.59 2374.88 7961.52 8022.64 6509.17 3764.69 3384.59 24370.91 2862.15 4390.66 9477.21 6336.78 1589.58 3672.42 5987.73 6523.57 5543.9 8063.37 4530.68 2093.22 6453.5 5858.35 5820.56 6141.2 5731.56 5195.42 6217.14 5736.13 7280.54 Methylprednisolone hemisuccinate 32120.64 88349.93 78951.92 101042.52 23188.64 50418.91 28051.55 57435.81 71578.81 79859.43 82992.07 65491.49 31642.28 66117.47 51679.92 43795.27 113783.26 68655.92 93548.05 45649.85 70663.92 86363.38 63509.69 29407.99 57454.3 48643.38 59252.66 45002.1 46131.18 94378.83 46669.8 74412.57 73771.87 62593.59 84860.24 43496.39 106171.76 50853.92 60018.29 91062.27 44892.6 54112.53 70819.1 100045.99 30221.95 88361.57 63837.62 59678.22 69923.55 54104.93 72067.69 104552.23 61086.5 59279.82 77325.15 94732.45 80564.55 166561.79 46946.14 71293.96 84151.7 115463.56 45822.27 107315.22 115754.72 75688.93 77294.04 73414.26 142185.5 71075.13 62963.36 59755.35 96737.77 146271.04 76130.2 424831.67 829294.61 339146.77 546577.97 479890.88 692675.48 780932.14 465808.17 239456.31 307083.75 506236.07 591806.76 545167.67 611662.27 500325.32 494427.99 361124.01 554364.87 407351.46 533568.45 419231.85 319656.78 516457.85 288363.16 282621.78 68819.07 69754.21 68449.21 69673.71 69628.45 69764.8 68779.62 71043.67 69744.25 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide 22523.3 22911.42 7196.55 29012.79 13065.55 11053.65 12018.9 14302.04 16158.75 9515.31 15370.78 13478.8 2399.13 15208.02 62699.47 19300.62 60531.7 36908.88 39635.92 32664.83 11642.04 8501.97 3958.98 9676.46 11710.61 17084.16 9092.68 8332.31 22191.64 29548.8 17250.04 20320.79 30083.04 5105.21 9397.39 8815.49 19525.38 8288.06 11655.76 14643.29 5817.28 7115.23 1557.2 1808.43 1546.26 7862.88 1118.69 3101.88 9220.52 2921.85 4364.41 4916.47 1255.18 2480.68 3992.95 7853.42 5910.19 4118.48 12787.64 10584.09 7608 6000.64 11014.13 12593.15 18992.94 7325.05 10909.4 3732.42 11540.84 10519.7 12258.39 14977.64 4436.28 7399.41 6096.52 5128.42 5727.19 5319.81 5826.81 5725.5 5303.2 5736.95 5516.07 5724.45 H-Leu-Asp-OH 2929.96 62898.13 8130.35 14056 1516.52 30084.87 17982.62 16791.63 20428.95 122100.36 5425.9 23349.84 8604.62 54950.68 31078.55 35941.24 70172.73 36450.61 93406.43 24491.23 20419.6 92130 9065.62 13536.43 25998.55 247995.76 212824.38 38395.4 27953.96 40929.15 15295.78 50727.29 69275.87 19953.89 18391.05 132644.54 2408.11 38882.14 6744.08 5529.71 22276.63 1717.07 10269.61 18334.71 21784.6 8372.1 22186.38 48163.71 8881.1 16705.59 7470.83 3208.65 1045.75 6554.8 27086.16 81220.05 25355.26 9406.6 32344.4 123655.68 18977.18 26051.38 21591.24 3375.68 25657.5 1218.31 21065.01 103743.46 23738.14 32720.46 19086.68 57542.95 774.13 25094.6 41065.59 37750.71 36933.07 37724.38 37128.88 37641.12 37094.62 37740.99 37714.5 39015.06 Derrubone 32686.84 24056.89 2930.04 3859.14 8612.88 73359.6 1913.68 28151.41 30757.41 22106.17 13563.3 18255.28 7374.07 12172.59 23926.12 11242.65 12764.4 17994.58 16859.78 32284.5 27790.27 15089.15 10710.62 10915.19 35426.66 39032.49 16922.02 32914.97 28724.69 39310.37 32795.19 17933.5 26432.59 3548.91 10507.68 39619.37 43192.18 3682.76 16363.28 20043.22 32276.12 23045.51 7319.03 12462.62 15934.56 8114.88 35147.53 21105.37 30370.97 19430.27 19715.99 9635.33 7610.48 9077.37 22852.83 10262.39 1235.62 1018.68 21065.3 12019.15 12023.53 8046.91 9411 11642.74 22264.13 27393.43 27284.34 26586.97 33239.33 22841.25 32988.03 20617.12 27065.68 10727.26 12117.77 18639.07 16910.12 15238.96 16740.01 16706.29 16693.37 17402.39 17296.46 16932.98 6-Chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione 11523.78 9757.16 6456.47 10512.94 4372.36 6617.93 14760.77 13143.69 10331.06 12283.38 15119.34 1351.78 13810.09 16545.52 15777.39 14303.28 13373.43 7517.76 13948.54 5329.47 5835.45 6193.94 10850.41 11324.2 5234.9 8294.69 6377.16 9693.56 7300.98 700.99 6570.47 9709.62 9532.07 10373.81 7410.97 5752.47 9646.66 2340.67 14534.99 12620.77 3589.08 6148.64 14654.17 14489.74 13944.08 13010.98 14978.13 7993.58 7366.99 11614.1 13440.86 11892.19 17977.64 17371.45 13879.64 12914.97 7269.44 10727.92 16117.73 14240.03 16648.13 19449.89 15484.64 17761.4 19462.92 15607.74 10647.36 14468.74 13032.18 15611.56 14693.4 8544.1 16556.21 18162.69 13831.58 16017.51 16115.15 15975.08 15971.53 15714.08 16110.49 16047.73 16109.7 15991.82 N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine 7134.12 16641.17 6958.93 9729.64 5826.68 10101.84 5796.57 5137.6 6620.67 4974.74 4402.99 9115.06 13703.32 23619.38 7703.02 6340.18 11247.34 14951.83 9830.49 8194.15 3351.45 4249.42 3164.87 3148.74 2920.56 3712.71 989.43 2895.16 6591.7 6048.67 9388.71 20962.8 4508.62 4370.84 3356.74 2379.43 1104.14 2275.96 3520.68 2337.15 6114.35 9672.08 4059.55 3959.53 23444.56 13918.03 4901.37 2890.24 5764.96 26979.72 9544.25 27126.75 9976.07 14082.19 6061.25 12480.07 3802.1 3452.43 2782.38 3624.97 4096.82 1376.55 7108.23 4023.96 9316.06 9728.02 21071.58 2466.22 4061.12 2161.1 5542.15 2482.22 4661.02 10067.47 6384.21 7891.89 7881.39 8063.96 7886.32 7876.88 8008.51 8004.43 7872.89 7264.95 Nitenpyram 1352.46 737.6 246.76 311.33 136.11 912.2 557.64 1160.86 1475.43 899.33 129.46 9288.08 729.51 859.81 1059.58 382.65 685.54 414.49 595.96 1582.51 727.28 1099.65 247.94 149.12 702.2 956.62 208.38 545.23 1081.51 637 390.09 872.39 343.16 84.09 59.55 415.98 592.06 218.52 402.25 257.57 1105.55 987.34 130.72 700.95 1368.55 4903.05 421.8 441.33 256.78 8832.41 260.06 347.8 75.18 606.38 672.06 741.2 5275.07 11009.92 1087.73 449342.3 1077.75 314.71 306.37 247.61 520.56 698.3 1600.73 820.12 142.24 631.37 766.66 893.09 483.89 213.86 254.83 8668.09 8719.71 8669.06 8747.41 8691.95 9075.14 8747.36 8667.07 8667.03 PGF2alpha-EA 20464.02 17939.19 14416.92 3743.13 24601.89 12743.49 9008.73 11162.59 15091.67 25188.82 12316.23 11263.13 7006.66 19241.94 11951.28 8462.4 7762.15 17110.47 86657.04 9394.02 4576.8 1505.32 413.54 1006.03 2493.18 419.31 442.51 362.22 1723.97 720.32 12285.09 4145.38 2840.56 1432.76 2166.51 1186.3 1167.94 1838.66 409.64 1473.51 14820.43 12243.27 8630.94 4189.24 49491.24 8010.98 2743.63 10728.61 3759.9 36810.68 19129.28 1444.39 7540.41 7441.52 7378.14 10593.58 4810.03 5412.49 3280.51 16532.33 10325.13 11104.58 15699.44 6652.21 10805.9 19737.51 17373.47 7433.22 12357.17 12023.96 13367.08 17345.37 9429.29 7827.52 11980.45 17203.51 12362.67 7449.95 12930.24 13497.94 13641.81 13647.12 12802.76 11726.02 Pomiferin 8892.71 5787.63 2131.48 5650.46 8812.57 7632.85 2167.25 18160.25 14739.15 15795.11 4452.8 17191.24 8599.43 7641.23 12464.12 2583.68 3999.52 16607.64 14348.47 25938.15 5590.88 4071.91 3234.5 5180.07 11192.2 2210.56 5020.92 5076.16 16278.15 1763.13 8632.53 6558.52 4705.62 1292.46 3881.07 13224.55 8745.66 1702.34 5900.29 2550.67 13299.17 16769.19 10216.56 12723.61 17630.99 6855.64 28370.48 12423.14 11804.06 6368.65 4267.4 7062.44 7010.78 6215.82 11067.84 10875.78 2267.77 1295.72 6412.64 3150.44 7392.33 6102.35 3747.87 4679.22 6785.27 10287.94 6535.95 11443.35 5297.63 10504.95 6769.7 24886.43 10119.69 10863.44 7247.48 45870.54 50227.25 41316.2 45405.78 52017.71 55203.03 52007.72 43421.85 59290.58 48504.49 48527.79 58072.11 46580.22 49450.22 45993.39 49448.28 48544.06 40988.62 52222.62 47602.43 57069.47 50550.32 48674.33 52379.42 63382.36 11909.46 12633.4 11500.43 11046.92 11918.83 11810.03 11523.98 11750.53 11464.4 Idelalisib 2794.31 1721.84 4763.07 643.79 1267.67 2745.01 2884.72 6177 5807.16 686.88 4804.6 3929.52 2181.01 1824.94 9755.8 4503.93 1384.3 3720.74 1060.4 2896.07 3739.63 2489.47 1581.78 1480.04 2030.91 2753.05 2671.23 479.64 11049.24 1680.73 2917.53 431.69 3790.05 6329.67 1527.72 1091.79 2370.73 1703.81 5726.08 1809.19 1347.69 2722.33 4405.56 275.34 1292.91 3872.99 2778.29 266.01 575.03 1688.83 9660.4 5488.92 9589.23 14685.93 2286.85 5626.27 2681.55 3183.72 2146.2 5798.04 3286.73 2927.76 9653.96 14670.53 4864.85 5325.58 1378.74 2507.31 652.76 5073.62 1629.72 1020.8 1751.88 2370.13 559.95 5726.15 5661.89 4999.16 5630.35 5544.27 5876.42 5933.37 5878.93 5604.79 Lankacidin C 3101.4 1941.37 1357.67 1568.58 22875.96 26019.82 5390.06 10340.3 6190.38 8558.75 4264.66 12848.61 5429.04 7716.93 13514.67 9556.99 5792.64 19061.65 24485.86 4623.07 2038.77 7594.84 10157.94 3634.6 4487.05 3688.15 1883.57 2871.54 8704.04 2120.1 4221.35 12794.85 6926.61 3578.24 2731.52 8151.66 6040.81 584.26 5044.64 1023.77 3548.22 9026.35 4459.25 4493.72 11812.4 8141.92 3819.8 7652.86 12583 8225.08 3132.19 9266.01 6250.23 4097.63 5426.45 5468.29 1256.02 2705.44 15512.28 2964.68 7303.68 6756.9 6711.28 6995.15 7104.44 9465.96 2707.31 4110.32 4055.48 12220.1 5048.44 6534.33 7505.67 2472.44 5282.47 10729.54 10509.23 12793.49 10837.91 10535.79 9802.96 11095.29 10885.25 11128.48 Leiocarposide 4742.43 3511.86 1522.48 4263.45 4614.8 4245.49 717.52 29774.51 47072.07 11104.63 2541.49 4151.75 1827.99 215.78 62223.97 3511.01 15595.56 38978.41 16681.83 85100.85 12432.48 4715.7 1625.73 1141.43 9018.32 8987.11 1080.73 691.27 14122.47 525.05 17905.25 4608.85 5251.67 910.03 1413.99 9968.02 47603.69 1257.85 247.3 2334.44 24444.63 56106.59 806.09 4561.43 34975.56 2038.29 44067.3 10207.61 1387.55 18555.84 4160.78 518.11 580.85 2559.53 8088.16 7086.74 1073.29 519.62 16643.2 981.52 545.45 1391.1 2033.76 2099.51 9278.97 8468.58 19876.35 5001.44 6360.7 24331.25 29705.23 31573.42 12586.66 3126.42 3862.31 13247.14 13191.89 12909.75 13050.09 13250.67 12776.39 13963.5 12908.78 13240.22 4-Ethynylaniline 11128.7 19663.83 73068.94 91549.27 13070.27 243615.48 27491.34 18597.04 21759.97 21371.59 16302.01 14641.64 16756.13 10299.68 24015.09 20117.56 16210.92 25630.01 26209.46 27281.05 13228.54 151577.21 12379.75 10172.85 11437.68 9021.03 6857.86 8191.67 17727.61 5665.57 12940.72 11521.79 15187.91 115964.43 9746.63 13178.65 9642.56 66041.14 9506.81 6643.21 23029.59 13012.5 13694.45 13903.89 31269.57 14298.3 26222.72 37285.31 13028.51 17586.12 7307.71 34561.7 16541.85 14340.54 13009.55 25791.36 72211.59 76659.23 15768.97 182751.45 22024.74 41773.68 15832.48 42923.03 18233.73 16559.81 23030.1 22434.76 12650.78 16203.74 18730.42 21800.76 11348.41 28038.81 13654.05 71885.52 76217.2 76171.23 68604.15 76145.52 71664.06 74761.84 68579.94 69116.06 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 6762.97 5542.62 6913.59 11853.72 7179.03 11536.33 14769.43 9742.08 9319.61 9713.79 14240.8 23174.86 22715.83 13853.69 9636.06 20123.77 12766.55 7463.66 23561.91 13006.58 5525.4 4323.98 8918.71 6570.1 4527.59 3753.24 4914.38 7064.84 6174.72 9713.92 4877.93 15231.63 2644.58 7344.52 6050.84 3301.74 6135.24 1881.56 9397.79 4988.04 8880.07 10570.85 11496.43 11970.98 9290.83 17221.16 9315.6 12033.04 9169.16 21372.03 6581.75 7095.47 12544.8 13838.86 5009.97 6313.67 6505.85 6893.96 7537.9 4583.04 8974.27 10375.2 6188.45 14560.43 13742.19 9626.81 11746.26 13345.35 13617.04 8502.68 7825.93 14129.96 12382.27 15930.65 16878.29 12714.2 13119.36 12716.86 12920.6 12911.26 12549.96 12779.36 12796.8 12712.8 16,16-Dimethylprostaglandin A1 1727.96 12116.93 27159.58 21299.25 39941.64 16757.47 3546.53 26021.54 4586.33 38007.45 21712.81 26899.51 123520.02 32285.39 15814.72 44611.8 21394.14 8297.75 120310.91 7867.89 35839.36 18517.23 30194.37 34456.27 24998.39 4246.58 24786.05 13531.43 36564.99 114966.71 7479.11 25651.1 20875.62 35071 9375.12 16067.05 23780.71 3651.35 84452.05 5929.97 12578.24 10939.44 29222.78 8860.81 15488.82 24122.6 34421.94 33170.73 30623.07 28487.78 25995.65 32291.9 88230.29 33314.01 46507.59 4069.73 42467.49 5627.43 23251.79 11363.85 45066.12 91037.78 41071.17 42589.05 16279.12 24757.96 9190.27 33859.79 10195.13 61384.03 7499.57 37571.94 20159.92 18016.56 48545.31 537.36 2336.76 1094.89 2867.16 1169.95 816.56 3489.86 983.18 1721.87 1635.06 554.55 597.51 30950.33 30697.31 28175.24 28971.35 28753.53 30936.2 32873.05 28210.52 29750.98 (2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one 64976.22 12783.1 1792.42 348.95 47198.92 4130.16 916.03 89718.67 86473.98 280.39 3429.44 17917.62 9556.23 2982.64 52644.64 22177.17 15482.56 42500.12 31935.93 58795.61 56940.97 299.1 297.88 513.73 54520.15 10849.42 265.95 385.01 69106.56 23777.86 49307.61 452.54 23274.07 3438.12 477.34 48407.05 50572.18 1726.42 9408.43 8244.38 78174.95 67060.02 4112.15 7036.83 42184.63 334.73 61797.51 777.57 827.61 785.94 28366.37 4007.42 6187.68 8444.12 46307.34 12752.99 2434.17 3801.13 54467.49 464.39 5059.16 240.69 20472.84 7831.24 22126.23 52766.34 34548.05 14272.23 39744.63 74261.11 77525.52 449.33 12574.08 11177.28 5047.8 31902.85 31872.26 31471.24 31969.49 31771.21 31969.47 32019.21 31764.61 31597.03 Oxyresveratrol 12395.4 25933.98 5658.54 13595.43 3058.28 10231.04 1499.1 6783.99 10599.22 6526.34 4993.46 13933.94 93638.46 139611.45 20835.83 14502.35 11679.62 163889.21 36691.13 44317.78 4335.9 2494.57 2257.21 3497.53 2713.91 5083.44 887.71 3476.29 8854.9 6724.67 74340.72 51485.43 5338.79 3121.62 3870.34 7869.33 1586.4 876.7 1467.67 2192.62 45593.71 20425.5 10457.73 14724.01 165157.19 24161.8 16474.53 3624.77 10657.18 266232.08 20660.97 28546.53 9061.61 15259.77 13862.7 33897.68 5720.78 8306.17 4078.15 5626.9 4456 2072.42 25103.84 9528.26 23365.25 23037.17 191948.85 14134.37 13909.36 3937.7 6197.82 7533.81 5053.71 18910 15766.41 40845.68 45240.12 40184.24 39242.95 47430.29 41130.93 47487.09 44103.23 44165.23 Linustatin 15686.35 8318.17 4527.6 3666.35 4482.96 457.64 12239.77 15991.33 10051.83 1835.09 5737.04 1527.3 2699.78 3871.73 17112.86 7432.43 6592.18 5210.02 6592.86 3936.5 494.23 389.67 2085.11 2639.96 590.51 2983.28 3209.25 2263.96 1052.97 2734.7 2490.95 4138.25 3472.69 2801.16 2398.45 704.53 435.5 1683.22 4694.52 2190.76 744.15 2768.57 2946.87 874.24 7061.39 7753.84 6398.56 3902.21 583.56 2334.11 6241.04 14243.88 7942.63 8136.15 9649.67 12781.52 2695.19 492.93 11165.37 6786.08 5520.23 13541.57 16795.11 10900.65 4136.6 8427.56 332.34 4690.29 3210.71 12479.11 4791.97 5600.1 2983.04 1666.7 6134.46 8503.41 8669.45 8511.69 8755.75 9322.33 8596.22 8480.27 8078.93 8651.27 15(S)-HETE Ethanolamide 10060.32 10887.86 4043.24 926.75 3780.34 3501.14 2687.41 28751.9 20593.13 1013.12 809.64 23663.89 887.62 2470.22 20614.71 2072.51 944.61 10219.77 996.81 18632.12 27524.81 2183.26 1757.86 2325.9 17458.13 7465.31 700.18 2767.03 10383.94 2327.06 8902.81 9629.9 22903.16 3589.06 1209.6 9686.73 12522.02 413.12 1963.25 827.66 4169.86 25337.1 2681.59 2673.04 39634.67 1313.89 25668.45 9489 1287.75 5408.62 18367.22 7640.37 2539.75 2322.02 21444.43 7780.36 1958.32 2576.56 21036.4 852.83 5679.36 411.96 24732.17 676.8 1021.87 37709.43 29912.01 2933.89 2146.03 19710.59 30439.13 4213.76 3588.06 1893.88 1532 6084.42 6615.27 6088.23 6065.68 5814.8 5779.29 6079.6 5495.14 6061.08 Hydrocortisone sodium phosphate 3430.67 7506.55 797.32 8096.48 19674.56 5152.27 3269.31 20063.61 6784.07 8288.98 9238.49 4350.2 1881.77 3118.67 6356.58 3508.37 2571.54 2121.02 4691.67 552.83 5995.67 5623.66 8787.94 6985.63 10407.28 1570.24 5556.49 30170.51 5968.67 11764.68 3652.25 9660.3 2131.96 26179.78 26021.36 9193.21 8232.52 848.13 1371.07 28119.01 4180.14 1861.89 26516.92 8325.43 4844.55 4758.86 9299.3 11012.11 6919.95 3582.63 16775.38 6064.72 24873.97 26122.95 7185.63 6651.77 5041.56 6003.51 19138.28 2432.06 12445.84 8879.07 9228.24 18695.57 1409.05 13045.55 4229.49 1806.28 7189.18 2098.67 3640.66 2620.69 8273.14 12242.59 7074.54 5517.44 7804.96 5941.81 5477.35 5245.45 3931.5 5239.51 5881.52 4277.5 Glyoxylic acid 9177.25 9680.72 13020.09 7120.72 6280.39 2748.54 6699.53 13534.06 12227.83 1536.08 10710.96 3548.91 2961.24 6908.46 9173.97 9350.8 14215.9 14233.19 606.25 7733.51 20902.9 3689.65 4273.17 6604.63 5502.2 2878.75 3303.12 2605.24 3788.75 891.93 6826.21 2304.39 8986.91 3869.44 13032.83 3793.96 11379.65 1016.04 6547.76 11335.92 2654.29 2894.05 7576.66 13791.45 7870.86 4611.67 13403.75 7684.41 2014.34 3557.67 5537.48 19993.94 7595.98 6008.98 7918.91 14380.26 26423.32 15229.17 10958.42 12108.05 16567.08 6962.89 24960.06 23409.19 22348.47 5775.53 14124.69 5043.77 15303.48 19916.01 13852.84 6550.55 28845.04 10990.81 14944.02 9468.65 9427.5 9585.92 9641.52 9370.77 9575.08 9530.7 9785.53 9465.59 Indolmycin 45382.4 26254.94 7028.25 12283.29 39646.86 34293.62 24876.61 45600.08 57219.46 39604.46 27889.81 50047.65 39194.66 33824.5 49010.49 39370.67 20699.43 47535.32 40609.68 68227.74 35310.64 12562.45 14927.69 13712.11 34895.97 27218.27 14713.92 26743.92 32203.76 37972.62 35660.86 35532.1 27942.65 13564.08 10316.19 31026.85 36814.03 6888.44 21825.17 14147.2 68893.95 67118.97 16936.98 23421.94 53229.48 29386.54 54101.71 25362.47 36743.44 49979.78 42492.27 45451.03 17579.95 22449.05 41798.55 28510.3 6571.83 8370.73 46894.62 23506.15 17466.04 20849.88 33073.99 20810.53 28665.93 58561.66 54104.05 40653.81 59262.59 53715.82 59077.06 42235.22 36463.08 20521.27 24641.56 44350.92 44406.71 44393.06 45359.39 45360.08 45366.45 45289.58 43845.26 44932.53 Vorinostat 11325.13 2326.97 8449.14 4136.76 3855.41 1698.61 9765.24 2232.79 2932.81 1620.63 1271.92 3288.5 5879.63 2755.71 1790.79 3811.09 4972.93 2396.04 2070.11 1196.44 3002.57 8444.41 10331.6 2231.66 828.12 1525.47 1319.18 2811.64 2973.79 1441.54 1226.64 8383.72 1745.79 12281.77 7231.45 993.65 1859.36 4356.21 2013.15 999.42 7625.67 9070.1 3012.26 5205.87 3460.13 5083.58 4116.87 4304.98 14642.62 4675.04 2141.07 6643.95 2743.29 5840.06 2414.2 5447.91 5286.34 2252.99 1972.28 9588.5 2748.36 6768.96 997.38 3815.67 3629.58 2468.89 1913.72 3371.65 2822.15 1555.59 3849.34 2614.78 1868.23 10564.8 3940.12 12471.84 11159.53 13898.52 11154.25 14778.15 13388.24 13359.29 10426.64 13428.63 Nigericin 11082.25 4479.08 2220.71 1047.85 46322.36 7193.33 8456.1 13821.03 3431.22 1871.58 9695.42 13697.59 19179.17 10040.14 2816.2 9176.38 6043.6 9564.84 24396.96 4292.04 2434.18 3268.41 1225.32 3345.05 3958.24 5592 1319.09 671.99 4610.23 3109.57 501.99 5371.34 1904.26 2931.36 5272.41 23606.97 4353.56 954.21 3962.62 683.74 2274.33 11695.16 4651.15 1447.56 21871.51 6946.95 6768.4 10732.5 9361.51 6258.1 9346.02 3692.57 22054.69 9209.12 12014.81 3566.44 1868.09 2512.66 18902.91 1214.42 17049.03 12262.91 15346.28 5530.22 3369.26 13961.62 835.42 5455.32 5321.15 27144.39 7991.39 2406.2 4974.39 436.44 6649 7858.22 5693.38 5949.85 6557.45 6539.09 5659.74 6768.1 6578.56 6618.81 Elaidic acid 1376.71 814.13 3486.88 13226.01 3637.33 6252.28 9879.17 4327.34 6671.59 2512.49 5808.86 6579.88 14323.33 5964.95 1400.24 6623.74 3857.25 3462.98 10450.07 1974.55 5234.88 1315.61 9868.49 2860.99 4702.01 1777.61 9516.8 3988.22 2450.51 1624.59 3283.84 435.61 550.53 1910.1 9243.8 4028.33 2430.92 2461.26 3453.55 3388.66 835.47 4251.9 2789.89 10630.79 8251.98 5369.28 1145.21 862.71 984.5 9427.64 1091.92 1137.99 7048.33 12626.65 4881.21 3416.08 17233.68 4895.71 1236.87 4192.72 11481.08 17475.21 5566.49 3782.12 1450.71 5369.15 3626.35 5091.74 2634.08 2406.63 1606.55 4858.35 933.1 5200.37 8327.91 4440.54 3402.78 4450.23 4609.15 4488.09 4626.21 4613.09 4385.53 4418.91 Val-Pro-Leu 7666.19 2479.29 9723.02 370612.09 659075.38 892835.11 1259018.13 14408.05 5512.92 6004.34 7012.13 14747.16 235634.55 18337.64 5594.15 93645.45 24523.47 5325.93 5281.25 2201.14 4221.07 14958.47 5909.52 3688.25 3599.57 4082.04 4544.93 1531.48 4360.08 3069.34 2440.87 12509.46 1445.95 18093.78 7694.25 3620.8 2816.83 5075.71 13087.45 4320.26 287860.28 25110.98 4788.99 13093.34 13133.12 307538.64 3215.04 6180.57 4496.49 12722.02 18721.34 5478.65 11367.23 25395.86 38555.64 11330.07 12240.25 5329 9062.12 40321.59 7798.86 33784.67 11779.09 11208.67 3891.78 25733.37 4480.61 4185.14 5360.23 3245.34 10654.21 6393.05 7733.61 13280.23 33939.73 113860.55 113903.91 116706.06 114974.78 114121.15 115283 114081.47 110281.95 113875.81 5-(Diphenylphosphinyl)pentanoic acid 9285.48 14516.52 9825.41 22838.87 15438.27 13314.04 12325.71 12491.64 8087.31 11855.8 21944.59 11514.22 7922.21 28547.83 14678.23 23876.43 20059.09 8393.15 17646.03 8070.52 10594.69 8753.03 11534.07 8775.02 10792.26 10483.18 1803.35 4616.87 16767.11 2644.03 8892.11 18846.05 10214.54 8304.88 8607.59 4628.56 12219.89 2564.15 14280.54 7700.41 4665.31 8345.92 19522.43 19160.24 9927.58 23013.53 8408.5 26939.59 12613.65 35724.12 6180.35 10518.36 20805.21 17929.74 7148.68 16547.75 9720.99 14546.07 17306.77 12291.93 14346.54 18962.11 11492.5 27021.15 29882.6 11435.04 17791.3 21100.69 18288.07 10921.68 21424.47 28397.25 23587.09 31363.48 23211.28 18378.08 18079.02 18471.26 17619.08 20857.29 17757.27 18250.86 17469.99 18382.53 N-(3-Indolylacetyl)-L-isoleucine 11545.76 12714.26 16490.5 23124.93 29412.94 86428.86 57365.74 33529.28 19867.9 36157.7 66776.81 24155.9 41209.69 24443.13 32040.15 69075.52 35586.09 26145.52 39896.17 55978.81 11135.04 9788.43 22029.96 21530.82 7735.36 10111.44 12439.16 27705.51 29766.77 3647.66 20532.81 12204.87 8320.04 28262.6 23144.39 2778.36 8686.49 4838.25 34210.23 20286.05 33255.44 35468.01 27493.68 23595.72 18142.23 20760.96 38346.82 26575.95 10364.82 68378.94 6269.55 18120.68 17692.7 23836.97 9138.42 15675.41 13793.7 22511.67 23480.71 32686.54 45153.17 31066.47 6844.02 28890.52 38704.63 13646.88 22032.57 11705.22 27161.68 29065.25 29856.86 22482.97 25205.35 46171.74 33259.7 43944.35 44194.03 44237.3 41928.71 41919.61 41847.59 51261.32 41689.23 41290.55 Docosahexaenoyl Serotonin 17605.18 4459.67 4728.63 11178.38 1352.19 3337.04 3119.75 5979.66 2899.1 633.77 5138.68 1125.59 7433.57 5175.51 4000.82 1390 2975.57 2498.49 3783.74 1040.21 2986.1 1994.79 3333.36 4660.39 1930.86 1178.61 2016.18 982.69 3779.52 8770.26 6190.49 3568.38 2869.37 9932.78 4598.29 7706.61 11696.21 926.79 4077.64 1400.27 1123.15 4423.29 4125.17 995.8 3242.96 2023.23 18107.41 8539.19 5192.16 3296.64 14061.47 4276.27 7383.54 1562.44 2322.46 3356.43 3565 2938.24 3684.7 4115.64 3362.4 4764.42 2802.08 7658.28 2718.61 4107.89 2902.43 7080.12 3812.14 8161.82 2893.94 1184.53 5612.97 3108.26 4875.7 10888.39 16146.57 10490.46 11808.12 11133.05 13755.38 11977.46 11608.63 10831.76 11436.75 9650.34 11207.22 11627.43 11788.47 11203.73 7427.2 11409.11 12340.49 11595.79 12128.61 11762.4 11699.78 11774.1 11768.31 11176.98 6046.89 5854.79 6026.57 5866.78 6032.69 5700.02 6049.97 6056.25 5797.77 Deacetyldiltiazem 57410.82 24706.73 10472.99 17020.6 84207.34 34479.82 5984.85 86757.12 46026.07 29033.92 29794.08 39699.4 35244.26 24300.61 44979.42 32545.58 18485.52 42219.89 35737.9 43911.98 23082.45 14004.82 15399.02 10963.51 40743.08 16510.93 8669.53 14024.45 52781.29 15147.39 40683.56 21155.01 27231.45 14608.32 11386.91 18874.9 23267.49 7146.22 15821.8 7673.62 45974.12 95065.64 19962.14 21744.26 49507.39 23709.71 60106.27 19188.37 13609.31 24004.78 25698.22 30699.36 15300.76 20729.95 25294.76 28058 11004.48 10284.81 40471.88 20735.92 14541.73 20231.64 23217.8 18908.45 25585.15 43882.53 55511.74 26668.04 22922.8 73957.7 38992.11 35001.71 21681.36 22416.62 25665.38 36323.31 36727.28 36364.34 36923.05 37407.48 37351.57 37234.89 36318.21 36766.13 Asperuloside 966.59 2314.83 4536.84 5613.15 290.44 98469.3 275.9 623.76 6843.36 602.25 2178.33 407.37 5786.58 2611.61 1110 1076.86 369.98 1738.31 757.43 541.47 3862.62 96740.58 3654.09 1744.77 2878.98 641.12 1523.57 2255.49 2559.62 5490.59 828.85 2503.89 5665.71 16416.71 1515.34 3074.36 3425.73 36562.9 1553.47 1728.12 465.73 4646.01 419.76 2123.65 3188.72 285.61 2202.58 3300.95 1864.95 847.84 4453.6 423.16 437.23 442.17 4079.84 273.31 15716.42 25155.62 1882.7 98997.87 2083.61 363.32 510.24 494.78 1953.01 466.72 2164.35 2341.26 3297.28 503.62 575.65 13232.88 439.56 3656.09 1850.64 4267.57 4406.71 4274.33 4312.15 3630.62 4338.14 4408 4262.23 4407.82 6-Hydroxycoumarin 3267.84 2668.08 3703.3 2394.59 18197.16 9352.36 12435.16 11920.94 13310.38 12623.47 15254.37 3925.52 6654.07 2689.74 4986.98 9310.18 4366.04 4684.31 10882.52 8190 11205.83 6189.03 2449.34 6644.07 5117.72 4710.41 4931.12 2721.31 10562.46 5698.36 4396.93 1747.77 8241.06 6651.09 2489.22 6240.03 10658.46 2001.75 4908.7 2290.16 5604.45 20844.34 6123.01 2798.16 7363.7 761.06 3064.69 1170.38 1971.73 5716 2344.09 4157.46 1898.07 3077.78 14902.25 4746.62 453.28 810.35 10803.73 6874.95 6294.12 4818.67 4381.72 11106.76 3348.34 9572.49 3038.55 4077.75 2410.31 4801.19 9810.01 13467.77 9508.78 9533.62 9643.61 6243.44 6725.37 6743.36 6429.97 6314.41 7439.26 4813.84 6635.16 6224.11 Amfonelic acid 6477.23 7487.83 2748.95 5339.71 6505.89 16721.43 10404.28 12511.11 13849.17 8622.75 12418.5 7958.48 10169.6 1748.13 3527.69 1744.2 5903.69 19161 16955.91 11696.91 6248.59 5110.4 4779.91 3769.7 1698.53 4672.9 1900.4 3393.49 8919.38 995.04 9391.96 6258.99 2936.35 1476.98 3981.64 1953.25 5134.02 1452.66 5411.72 2806.84 6241.11 15516.16 849.85 3519.07 9705.21 7350.24 10615.22 5649 1205.01 2553.41 6411.3 6780.27 8644.54 1618.33 8620.2 8582.59 1493.81 2021.2 6853.36 4785.47 4088.81 2608.47 6326.93 3565.71 1113.5 16671.82 15464.98 5321.03 3550.52 7432.54 5008.7 8289.75 5712.27 6678.6 1390.04 8123.35 9002.11 8844.18 8836.7 8317.28 8585.28 8454.12 7537.05 8923.8 5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one 690.26 1105.25 1027.33 2591.08 1561.99 1288.41 6472.7 372.73 309.06 1381.66 320.33 2426.96 4929.48 1947.02 888.69 3369.04 1094.34 2146.48 453.94 1805.93 1457.8 311.91 1726.88 893.95 917.92 719.05 351.81 621.74 1089.09 589.54 1093.06 786.1 457.19 806.4 1774.4 1054.95 1308.05 618.49 2050.61 926.46 992.31 1015.28 1421.38 2897.77 544.11 7548.38 1609.65 502.26 929.4 3111.1 681.1 471.47 1012 3651.78 2351.85 328.46 1401.17 1361.83 962.19 1723.06 1265.5 2104.05 1238.13 1840.35 1598.39 1665.06 1960.83 2103.86 1846.98 903.63 1764.74 1056.48 948.94 2461.73 11023.68 2150.85 3000.47 2999.67 3003.36 2744.71 3071.65 2809.57 3017.63 2911.26 Teprenone 13835.67 25578.11 26696.13 35573.31 11775.26 26769.93 27756.91 28408.72 18431.45 36993.35 36217.9 40213.35 15567.14 37181.29 27361.55 26895.1 33299.79 26234.84 26813.03 26117.32 20466.77 22831.08 30811.32 22397.48 18632.45 20453.54 19603.99 26346.94 17308.72 17373.11 13665.27 21773.83 24800.94 24408.33 23420.02 17740.2 21262.7 12490.24 40646.88 24352.64 27071.29 23928.88 31968.47 37921.25 25176.09 40825.42 22468.9 28468.57 13909.71 22486.53 31947.26 32835.46 36220.56 32626.96 25106.13 25927.87 25207.68 27820.59 32942.7 42690.67 37489.15 57751.39 31852.62 41118.56 39551.65 27933.84 30061.12 37779.48 32335.63 24441.93 31691.37 33354.95 37300.55 34316.85 39112.18 30996.78 31372.07 31227.66 31261.57 31157.17 31147.65 31131.96 31115.3 31128.74 Dichlorprop-P 169504.08 254935.41 165255.4 169453 137564.91 153918.94 176200.71 154757.11 146024.88 158564.44 155428.04 156679.47 227966 153683.97 230252.69 143399.6 153917.76 157679.48 155944.02 245020.66 166833.45 189588.64 184180.98 269972.9 182300.93 254178.71 286826.28 288434.36 279735.39 196460.5 286025.91 206316.89 295938.23 197683.03 208665.64 287167 212344.9 200939.3 276096.74 201147.56 168650.84 182419.88 197143.75 201484.59 203479.61 191539.61 191536.89 209444.44 204590.62 204800.16 218583.03 219113.29 210496 217193.67 195184.56 195493.4 209480.87 232340.44 204918.63 204745.98 219347.11 227452.95 233403.91 227676.45 224736.15 194536.59 198692.71 190765.57 210839.81 190521.64 181607.5 193928.9 170361.22 164869.17 162824.94 85060.05 82287.21 50257.55 69846.03 62982.15 73955.35 59405.42 55774.52 66707.62 66809.31 45634.38 51418.69 64642.51 69633.71 59500.85 70323.19 75139.9 53180.43 37367.2 51564.12 39726.35 59839.54 49045.91 79788.38 50342.59 179691.01 173220.88 171862.24 170560.81 174813.12 174818.74 171870.43 171994.4 174680.95 6-Maleimidocaproic acid 7433.78 314.5 887.86 1194.73 6181.22 9449.87 5055.38 14679.54 15129.26 7543.15 17712.87 27956.4 7523.14 13146.26 6001.48 21893.51 11786.9 15993.56 25074.46 25662.59 8520.16 4837.96 1480.49 11171.05 6118.89 1182.61 7047.26 8184.46 9158.37 13528.51 8049.58 23137.45 3616.76 6760.7 4782.23 5855.49 6256.8 1541.45 10864.31 3607.63 16082.17 14246.24 8081.21 11936.92 8439.25 19032.71 19566.07 15422.4 12761.03 29909.61 6953.28 6640.41 10233.51 11114.53 4749.87 3031.67 2561.27 2339.64 11652.83 5110.38 10834.17 965.56 4797.97 1883.11 7932.01 8180.66 15413.95 13818.14 15628.58 13015.58 8124.29 350.29 16387.39 1049.57 12875.55 14665.12 15758.2 15781.42 15038.01 13313.72 15722.1 15760.87 14970.21 18114.74 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide 3929.37 3883.44 2311.39 4672.91 737.77 1221.7 2100.87 1786.62 1457.34 2560.3 2250.75 874.4 1609.61 1979.91 5812.26 1128.05 3097.44 3522.9 2398.43 2077.1 1494.76 785.3 1969.6 2025.42 1230.85 1251.81 1385.08 670.07 3387.51 3313.38 1116.97 1601.45 3455.75 1630.2 1838.12 913.02 2776.49 1858.72 1190.04 2011.97 1384.48 1628.05 1568.93 1701.89 831.04 738.77 1841.29 1884.26 1806.03 1563.29 918.57 1697.53 875 1796.11 1411.6 2806.9 1772 4242.83 3686.75 3471.99 2747.58 693.62 1619.53 2796.37 3302.07 1781.4 1558.29 1000.54 1529.23 2013.96 3229.97 4092.59 2783.24 1210.64 1395.39 1453.48 1437.31 1457.3 1376.67 1524.69 1363.7 1348.87 1338.2 1346.94 Lactacystin 28471.25 11550.34 2958.85 7205.27 15372.68 25941.14 27809.12 24708.03 52953.97 26843.91 17404.16 33484.13 27127.21 12001.62 14641.72 30515.95 3028.74 34199.65 49790.49 83574.02 10025.02 8042.07 8799.23 2833.62 9438.58 5428.49 3345.15 3964.64 25787.65 7845.99 6746.07 20338.53 4596.98 7154.59 4114.47 18766.79 6497.67 2761.61 6345.44 2657.26 57297.5 22609.93 7520.52 5093.69 60883.58 21987.95 34770.18 8992.98 9719.8 19774.33 6573.51 18233.29 10555.19 8393.58 8909.93 5082.79 3782.07 1029.7 14302.14 9373.09 6137.83 3579.21 8648.05 11951.12 8037.92 15108.68 33239.1 12293.48 10283.71 30231.18 32925.93 35803.91 11710.28 10746.39 11871.57 25800.57 24741.21 25803.55 24308.51 24821.37 25949.87 25180.88 25810.8 24532.75 Kifunensine 23688.96 35944.04 48025.62 34277.88 16756.2 15443.22 19113.68 23826.14 17725.58 17952.7 37309.53 26196.67 24073.09 35155.62 27144.27 26843.28 31225.12 21091.41 26803.01 11540.03 19600.1 20010.42 54876.96 62885.52 40725.19 42996.76 61161.32 55760.13 35467.57 9970.3 27087.49 28238.1 32294.04 58543.1 63220.7 40965.5 46743.92 66398.95 53237.49 69172.45 18207.57 26146.2 53702.83 46137.38 21878.55 31985.9 23660.34 55270.28 42527.7 26836.71 32158.33 37240.25 45553.02 43065.97 31090.2 36093.81 55813.17 81458.13 27405.88 45053.34 50959.05 49731.29 33736.73 38050.1 36603.31 25877.49 20938.02 37997.1 37185.21 26698.7 28467.82 51121.53 39208.58 58986.19 51400.44 9752.25 11002.58 11257.11 9729.22 7792.43 12002.49 9852.39 9187.25 13353.61 7436.51 8758.92 8825.76 9276.7 8524.87 9730.69 9981.61 13461.87 9740.27 12313.1 17143.66 16777.11 17140.07 13336.23 10371.41 9222.04 31995.5 31153.22 31823.75 31840.57 31458.32 31837.52 31141.38 32326.15 31836.55 1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine 8079.28 17309.39 802.81 11557.17 7483.61 12590.64 10861.32 21551.76 16738.44 5152.32 15658.3 3933.12 4067.72 8864.27 39010.28 15089.51 29400.66 47751.26 17549.91 43368.26 10173.39 1240.02 4470.83 627.35 3277.66 6791.32 2990.47 2186.45 1339.36 20869.49 3561.8 9533.25 21534.43 17509.48 5465.99 2802.9 12648.8 1827.77 1690.25 6368.66 29331.09 1282.3 9912.82 13152.01 13955.59 2051.66 26447.9 19618.55 8497.42 10952.12 2977.05 12601.57 2512.07 3700.15 15023.71 20791.54 9274.15 12255.79 45601.97 30553.22 18372.01 4938.72 21791.65 28858.03 51977.18 8937.83 20814.32 3365.76 13122.35 24173.26 48357.44 18729.85 26227.45 27965.93 21230.57 17473.2 19109.83 18947.86 19441.19 19200.31 19438.78 19236.22 18918.01 19049.51 Carminic acid 4777.58 2002.12 388.32 1151.18 3660.66 444.94 1128.02 2358.24 1774.83 1826.35 2064.42 3916.31 580.86 2932.19 1768.54 841.51 739.66 691.99 2059.55 1886 7915.43 661.6 884.45 1213.47 7020.95 1087.34 1158.09 3875.95 6852.73 4728.52 6042.61 2472.15 2498.02 1092.95 350.1 7387.73 4186.17 2101.43 1455.89 988.71 2535.75 6314.29 1901.26 1396.76 4166.65 1392.38 5154.04 4488.92 6243.4 3103.24 4645.72 2463.67 1086.55 728.84 5226.59 1756.45 1014.87 828.4 3460.76 1074.01 649.07 1366.4 1882.8 388.46 2991.76 1236.41 1905.01 966.05 1900.96 4227.49 2553.7 1960.44 2971.27 920.46 1086.33 2936.15 2170.8 2635.13 2605.43 2664.47 2484.8 3221.76 2863.39 2942.3 Shikonin 7233.88 17379 3401.57 1124.57 18902.14 7451.78 6159 34678.2 52349.61 9646.19 2116.33 9713.62 3178.46 1435.16 18603.6 17484.73 10469.35 23673.99 13106.74 50717.88 17774.14 4978.38 3565.9 4237.97 14949.17 13652.71 2903.17 3134.65 16622.18 36257.9 15297.49 3455.41 9710.55 7306.63 937.4 30199.32 7978.16 2455.32 2345.35 4650.4 12228.92 4880.33 10720.98 3765.69 12800.48 2516.47 27033.02 7825.01 18250.37 8906.34 1716.05 23069.59 8880.29 4979.01 8801.94 14683.53 2591.75 5697.58 10240.52 7566.4 5591.26 17048.97 11446 6130.2 12317.14 6379.78 10755.13 12320.48 11961.46 22484.62 59502.77 5451.17 2336.1 8379.23 6458.65 17899.25 17545.9 22026.65 15270.26 16394.82 15542.47 20625.05 18526.81 17840.83 Pamoic acid 207.67 336.94 367.7 426.23 469.79 163.41 247.16 170.88 434.29 359.16 393.69 325.85 286.82 262.63 225 511.38 454.09 406.63 925.73 400.36 696.91 370.59 273.51 288.45 351.4 299.61 256.27 355.94 152.22 170.21 732.15 174.18 603.36 175.82 259.86 621.22 809.11 186.4 177.12 158.79 312.11 367.8 499.09 308.38 587.33 793.22 765.1 599.52 169.38 258.49 184.34 163 190.12 308.73 550 301.3 340.93 344.76 315.37 178.88 518.22 169.18 501.66 304.95 1074.04 171.62 457.19 156.24 931.39 241.45 586.91 377.84 2285.35 273.85 140.48 1245.9 1289.21 1180.03 1565.79 1241.24 1182.96 1205.28 1479.47 1181.55 Dinaciclib 39142.7 42963.71 18828.13 50075.31 30918.77 39464.84 10973.21 29793.28 29733.06 27322.05 40572.8 26733.92 3765.84 10290.74 65687.96 34256.89 52459.34 60305.48 51302.76 42493.85 27186.76 25270.3 15398.47 15044.61 21595.35 33514.73 16127.97 16002.88 38287.08 36632.89 32535.15 39492.51 44268.35 13637.67 17901.23 21719.05 35069.05 16381.32 18487.22 27712.48 65307.07 42040.87 18980.36 41117.04 46746.64 27837.78 44084.17 38309.62 13406.6 46635.75 24244.79 46034.04 27439.17 34034.73 49656.08 55707.39 30914.58 34991.77 56480.17 51584.43 37332.42 25780.25 54042.41 54791.37 51922.47 46883.6 56856.06 26163.07 32779 41881.42 50918.53 52031.03 39238.25 47321.53 36624.01 2782.85 4811.44 3274.36 3806.43 3049.09 3903.95 2738.1 4370.08 3447.68 4139.72 1435.91 3007.25 2785.18 3744.8 3234.83 2427.53 4079.78 3292.2 3791.15 3886.51 2133.73 2398.28 4137.03 2829.99 3985.58 38325.32 40002.92 38609.4 38677.3 38222.88 36923.57 38571.1 37428.49 38736.96 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6,8-trimethoxy- 1021.58 2636.36 1043.43 1511.46 875.93 834.14 1862.88 1391.62 4141.2 755.55 629.84 2885.14 2320.64 604.36 1279.27 1943.65 490.77 1198.05 3592.71 1883.66 1449.62 815.17 1487.65 616.95 1094.98 2049.34 2289.57 1038.29 1276.14 1129.66 3542.13 1382.42 3245.69 1208 1750.68 1394.08 542.21 852.61 1787.37 1844.55 2723.51 502.68 1965.99 1573.24 2445.81 2174.59 3024.02 1335.07 1057.23 896.02 1362.69 933.99 2013.28 2303.94 662.95 833.77 1554.27 2057.41 1665.53 1777.02 1401.97 1815.46 1576.2 2249.62 2239.39 605.88 1703.31 702.56 554.01 5727.96 7115.08 732 699.63 930.82 1629.7 1384.63 1476.13 1499.08 1460.64 1496.91 1555.77 1541.73 1554.36 1550.22 Nb-Palmitoyltryptamine 3645.96 3564.48 2623.79 3825.32 1794.95 1575.19 1646.94 3281.07 3150.3 3778.15 3840.92 2894 3138.8 3914.35 3075.95 1737.56 3530.41 3800.48 3054.48 3561.14 3559.05 3769.39 3947.34 4137.18 3680.15 3999.67 3660.53 4209.71 779.53 3964.71 2832.27 2880.6 2993.49 3216.4 4000.75 3596.54 3807.32 1544.4 5975.29 4459.85 2842.28 2824.75 4713.38 4613.25 3638.47 3518.89 3087.96 3593.03 3524.28 2278.24 2383.12 4158.7 4427.86 3288.36 3990.96 4478.05 3495.4 4723.53 4463.82 4362.55 4328.81 4638.62 3479.98 4114.91 4310.44 3594.42 3320.76 4213.74 4495.64 3749.3 4158.57 4010.09 3547.98 3589.59 3981.83 3454.61 3473.62 3472.42 3320.88 3646.75 3524.74 3504.13 3522.91 3523.06 Taurolithocholic acid 3-sulfate 98709.92 124184.65 48302.04 87277.41 98441.07 152862.32 47213.58 81091.84 72102.66 41566.91 57185.75 144924.59 135441.65 163338.03 167602.68 63720.87 100789.85 257480.34 101014.7 105550.82 65576.83 51775.7 20902.56 43846.36 38143.19 53311.69 14768.77 21248.54 76459.24 8944.12 96025.48 70029.71 46587.54 30934.37 40082.31 39446.94 69136.29 28676.65 28858.98 38237.57 132788.35 257586.04 61107.87 116552.28 114754.36 101160.23 82595.62 74989.59 58596.44 193116.54 169854.38 184911.13 44450.94 100367.93 116110.43 207321.1 63009.47 82184.03 88655.28 93775.8 44479.03 32009.73 125986.64 40348.23 64614.78 173623.17 251485.08 49581.11 85204.75 82973.35 70326.94 57981.14 53524.29 91914.91 63464.98 9930.35 10311.53 12340.32 10539.6 9922.54 12180.76 5055.96 11688.95 10839.71 1210.36 1364.83 3086.99 4121.57 8906.65 2267.04 6862.36 3332.71 25165.47 9727.73 4345.06 8804.33 5389.13 8496.37 11089.68 16671.64 109672.75 122379.41 108857.03 106362.85 109774.44 109790.53 107700.11 101872.41 109725.87 Nbd-ceramide 2724.53 1862.93 491.93 949.68 2148.58 1410.18 1623.46 2595.38 2639.71 1821.67 1758.58 2449.72 1837.74 1406.24 4064.61 1991.28 783.35 2297.18 1358.87 1645.27 1679.79 628.29 616.78 749.34 1116.99 976.78 509.19 787.01 1378.33 920.12 1134.69 1926.4 784.75 821.93 535.96 1264.15 1577.25 644.09 905.7 573.97 3283.7 2509.23 1301.97 1188.65 2196.25 869.49 1325.21 1820.06 846.17 1565.7 1185.59 2113.58 1412.13 1268.69 1592.87 2169.62 603.6 450.7 2011.13 562.32 960.39 967.97 1520.13 1192.95 1367.78 3354.47 1226.21 1360.57 624.27 2625.69 2225.97 2467.42 1357.31 1218.6 1115.78 140935.73 250046.63 137009.98 194121.64 162914.21 221031.37 314298.81 175992.93 103849.63 121777.15 177924.63 208592.7 192773.47 198176.69 167838.49 191593.28 133935.52 225259.75 162241.03 173915.45 147014.15 123286.79 172026.94 109895.79 112144.45 2121.67 2037.94 2115.23 1995.58 1913.61 2064.05 1920.86 1985.65 1114.37 Imidocarb 70451 79700.43 9488.75 123228.16 43870.97 59190.65 94239.29 42049.53 83406.02 112889.3 24799.25 25960.98 29383.44 101471.27 66406.3 58978.1 119164.54 89675.07 77096.57 8390.51 22399.8 13314.83 15571.38 26563.32 26601.1 15466.8 7010.94 8984.85 33100.74 10658.71 18080.23 35347.77 8046.9 3355.02 1789.92 12728.99 15459.54 4626.02 11015.53 9269.6 57138.77 31949.39 22220.64 26899.29 56315.83 18125.33 53156.05 21193.51 5168.07 34431.25 56080.33 37482.62 13567.12 21776.99 36083.8 38050.63 6247.66 43547.13 30816.54 38741.45 20568.05 11580.43 127359.14 36033.94 37678.29 44512.47 50457.46 17696.03 37701.91 40806.04 45233.98 44397.71 20695.88 50922.12 19190.52 37014.25 34775.28 37149.06 38661.42 34236.83 36963.22 34163.88 34166.63 35039.56 4-Hydroxystyrene 8118.39 23189.18 5056.86 14107.95 9973.24 11000.78 15908.67 15248.3 9533.52 50532.75 5409.5 19626.94 10419.97 21144.61 23885.95 26038.11 27665.42 37923.88 79903.87 3756.2 1798.37 34210.36 8003.49 8581.12 9569.81 104472.57 32564.26 13391.23 13014.46 10602.26 2056.43 23411.45 20474.3 1439.12 3414.05 30933.2 3893.31 10369.55 4257.98 3048.52 9218.84 5133.44 6233.53 13872.43 3314.63 8478.96 4823.48 18978.78 8401.79 16181.24 5167.55 7208.48 2813.19 5295.56 13701.41 34647.72 12987.31 8708.45 22375.6 54590.54 14018.76 14994.34 11932.05 3705.07 13067.7 6195.16 6652.79 32806.01 13022.34 21217.53 16528.25 26862.01 3268.22 20760.91 34640.58 25190.63 25426.17 25456.41 25198.94 25515.21 25824.4 25194.03 24803.51 25185.63 LY-411575 2646.08 3441.52 2276.08 3382.66 2073.07 1531.48 3117.45 1496.63 3885.92 992.22 4590.39 1278.87 9972.49 5336.94 3386.04 1642.17 5083.97 4097.86 1500.3 3145.84 2626.78 2261.14 1424.46 2318.48 2086.33 792.26 975.03 2041.3 4956.76 445.12 1800.46 1099.81 2142 5555.31 2448.29 568.25 759.69 324.86 1634.63 1921.93 1733.53 2767.34 1168.17 3342.77 8062.44 2476.64 3830.73 2506.41 3290.2 2612.54 691.54 10327.97 4714.96 1131.17 2517.03 3122.51 2634.32 685.73 2492.92 4005.71 6926.34 3470.36 4266.29 3872.88 4132.38 5342.88 4118.93 5655.1 3684.76 5177.53 3576.73 4157.34 1163.59 4805.1 4609.06 7031.46 7309.82 8428.86 6926.29 7253.49 7297.06 7092.84 7318.98 6894.19 Robustic acid 13246.73 26819.55 20311.46 15186.56 756.16 1059.03 3424.59 12080.12 14231.76 21763.55 22040.45 16488.3 13940.92 11108 20485.18 11153.07 32447.71 9600.54 18147.46 10553.02 19434.9 15071.29 24000.13 33698.81 21460.09 18636.29 31264.77 28476.13 29503.56 8379.27 10908.89 10052.09 32348.22 26277.6 27733.6 17015.57 17414.15 16124.75 25108.51 24325.25 2802.05 3531.95 28371.65 28406.33 16735.74 11602.69 19203.18 26890.59 20244.81 11192.07 9251.3 27617.19 19609.03 25787.31 13093.96 32294.58 21470.62 30106.29 20186.15 27497.4 28898.9 22404.06 22358.51 27251.87 23890.62 13013.64 24733.27 23403.3 22575.43 13059.6 20459.62 26807.79 22551.46 24273.14 19231.18 15699.82 16009.96 15681.97 15413.8 15116.23 15413.28 15400.34 15391.36 15680.72 5-Bromo-1-tetralone 18738.48 22561.04 4964.63 5697.32 4911.78 45738.79 565.26 23675.23 33354.52 25480.98 8551.42 15577.12 4398.15 9985.62 41322.87 12870.46 9854.8 29069.36 33104.33 48591.33 18038.67 36023.5 6345.41 5906.25 18218.2 17289.91 5142.51 3358.81 10572.95 1756.98 14451.86 16956.79 13054.16 6120.45 3861.23 8828.8 16152.96 9424.36 9004.65 3579.61 16807.15 31539.9 9884.03 7437.02 35702.7 4747.07 20698.43 14007.67 4315.55 17123.93 10615.89 32544.89 8131.21 3535.61 17288.43 29375.15 4658.17 6080.74 28121.79 39681.45 7586.56 6284.91 23968.1 11481.06 11408.24 30836.95 38408.53 9033.92 10798.73 30967.18 31345.6 26659.35 8621.2 10366.63 5573.25 21622.64 21663.18 21895.71 21898.55 21734.62 21543.78 21486.76 21089.11 21726.37 Icariin 543.06 1128.67 96.29 112.19 244.19 21720.47 1060.87 1047.89 938.98 1200.56 525.7 507.26 453.4 392.5 1181.85 1518.62 170.18 1240.8 195.8 1485.91 230.26 6387.99 109.23 211.11 147.94 941.61 389.18 700.48 273.52 245.15 112.57 329.26 964.34 308.67 127.57 103.17 591.67 1564.38 136.43 132.75 748.74 4038.47 735.44 782.94 1111.94 112.63 1322.29 107.68 117.44 142.53 1111.58 415.03 721.44 485.92 1134.53 1608.09 879.66 753.68 332.17 5848.79 200 193.09 442.41 287.79 1186.36 1830.23 995.4 582.61 106.48 1223.22 207.55 1421.6 189.27 208.7 376.82 3617.28 3631.96 3642.12 3639.02 3919.89 3934.11 3727.01 3728.38 3810.26 [4]-Gingerdiol 3,5-diacetate 13617.4 4446.13 2982.81 3941.44 21279.48 11942.58 6362.19 21428.15 19343 11212.45 6485.66 17169.76 5224.64 6736.31 21387.61 13103.91 3279.86 5938.12 7549.26 12854.61 9400.24 1752.8 3150.28 2162.58 10801.23 18639.91 2806.96 3469.43 15501.62 2619.2 8136.51 16379.36 11431.75 3787.56 3315.14 8044.91 4007.94 1377.06 3689.51 1735.84 6164.65 12607.92 2739.21 2268.01 22840.17 2934.75 17873.35 10753.99 4947.3 11493.41 11665.99 10541.04 3967.94 4291.64 16008.42 18605.23 1826.58 3101.14 22816.22 14818.94 3285.74 2023.29 28026.19 6936.38 4946.61 20590.98 17360.13 3428.4 2593.4 24467.99 20127.2 19086.23 5797.58 7247.62 8410.9 11958.43 11834.35 11684.61 11811.29 11884 10638.47 8149.76 10752.72 11270.3 Vulpinic acid 7924.45 4643.41 8111.72 9372.99 12972.42 10245.86 16805.71 5122.48 3122.45 10832.89 9804.16 8063.07 7307.94 6512.51 4343.41 6562 8501.79 9848.87 9557.09 6713.32 5198.52 6057.62 7482.12 3837.28 8585.95 2827.05 1922.35 4298.25 7235.17 2415.86 1139.13 7066.81 4432.58 5047.24 4834.35 4067.41 5300.94 2281.33 6227.6 3450.12 7896.25 7718.82 12342.55 4110.14 7318.73 12183.4 2438.86 7275.27 5369.16 9393.24 7400.33 5195.42 18836.93 13877.78 10901.84 8814.03 7814.87 27096.87 3754.47 9272.35 11281.73 9047.33 6148.43 19246.39 12738.85 11044.99 7994.4 7826.46 5681.73 8808.74 4079.83 7556.45 12375.53 34226.73 8404.91 11295.12 11452.4 11806.62 11378.78 11359.72 12269.43 10408.39 11832.46 11852.29 Ala-His 4585.17 4026.69 704.43 4336.15 6479.49 3693.2 4189.21 4182.87 5764.29 1520.14 4977.26 8003.11 4458.78 804.38 7556.04 2507 5193.12 3357.86 1059.94 3369.01 1558.65 592.65 2610.95 466.59 3047.99 4477.38 942.86 810.87 3124.45 2503.41 291.14 3279.27 492.71 2295.69 269.84 2802.44 2904.04 504.8 4476.25 1465.85 3041.03 2338.94 5673.47 896.83 3612.49 2021.34 1029.22 3926.75 1501.87 1273.31 2143.51 3980.33 1609.81 4821.76 4835.47 6287.78 4292.54 1601.2 6031.31 4196.5 6083 1760.05 6917.09 2404.92 1693.73 4230.05 7045.98 3730.99 4027.4 4099.64 3542.54 4669.5 1782.06 3319.45 3882.6 6880.56 6922.7 6529.93 6602.44 6387.08 6614.61 6922.86 6794.27 5318.19 2-Dodecyl-3-methylbutanedioic acid 1.85 1.85 1.85 201.35 157.88 156.93 521.83 19.99 1.83 1.85 1.85 30.26 87.25 9.78 1.85 59.11 13.54 1.85 1.85 1.85 1.85 1.85 1.85 1.85 1.94 1.85 1.85 1.85 1.85 1.85 1.85 10.71 1.85 18.22 1.85 1.86 1.85 12.4 13.89 1.85 169.71 13.68 1.85 10.85 1.96 20.93 1.85 1.85 1.85 2.3 18.03 2.36 1.85 12.77 92.57 1.85 1.82 1.85 1.85 54.91 1.85 38.68 12.29 9.59 1.85 34.23 9.25 1.85 1.86 1.85 1.85 14.2 1.85 11.17 42.36 101.61 110.3 112.51 104.14 103.27 112.2 115.76 111.46 79 Macluraxanthone 10705.93 13708.6 5563.79 7120.5 20997.93 32529.99 13394.71 16950.14 19188.64 11303.3 12618.94 9521.97 7264.83 8936.68 24525.29 21284.12 11114.57 28733.19 7114.34 31295.04 13851.67 6099.47 5553.18 5814.26 9614.35 7679.3 3866.52 5217.98 7074.49 5019.66 7462.94 5085.05 11664.05 6893.91 7249.37 6517.17 13377.57 3629.03 9988.86 4875.69 19062.06 3693.81 10647.38 12153 22385.95 15150.61 22417.48 8947.85 5545.65 12137.22 7102.33 28378.46 11427.48 10965.38 10994.73 10096.13 3859.09 5554.55 18883.13 16889.19 8022.98 5530.25 13805.57 8649.94 14682.96 7645.54 27786.05 8282.73 10210.71 15134.52 24298.25 9544.21 16912.07 14759.58 11836.91 16588.45 17000.64 17008.3 17512.6 16991.9 16673.26 16602.78 16767.78 16254.54 JWH 073-d7 12532.33 16795.33 12878.28 28905.75 45426.28 62129.86 27064.46 17188.69 23770.3 20994.38 25567 20265.03 29893.74 16151.14 27887.06 27621.95 19058.07 18602.39 28816.19 33124.19 14804.82 20012.93 12377.44 9903.82 10971.56 15744.47 6036.6 9240.19 18129.66 7854.16 7218.86 8579.89 15972.73 13320.39 10916.72 9298.7 16945.91 7947 14488.85 8751.95 17143.74 23259.45 18124.54 16677.15 27577.75 27692.82 18751.8 29271.53 12364.86 40478.95 15011.07 26249.68 16132.32 17699.61 20505.07 19436.8 10956.86 14463.83 20074.13 23883.09 14329.6 14306.61 19013.18 23490.95 19312.97 25743.43 32397.56 15813.4 17784.74 28112.22 22637.47 20362.03 30944.07 29581.39 25636.32 25305.4 25466.67 26070.03 26110.16 28448.01 25995.31 25222.66 24636.02 25129.78 3-[[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol 2606.37 11308.16 1952.02 8539.9 9621.77 1620.88 927.15 20040.15 6553.29 1206.92 10067.55 31464.39 10407.47 42966.29 9623.62 16834.39 15024.78 20078.24 21014.22 23025.98 10710.55 6225.22 3096.98 4811.1 8750.3 599.14 3095.59 859.29 13979.41 13351.36 9821.82 51946 5003.59 477.47 721.78 10139.49 11124.32 2043.25 3500.21 846.35 50016.9 11472.69 6624.51 16479.6 24045.02 20919.57 3628.64 7673.58 13402.3 62772.34 14332.88 29565.92 4243.9 4607.5 12914.28 19922.73 3600.58 810.78 6650.53 7043.96 2025.91 1238.88 13865.14 9119.82 10198.41 17527.28 46223.91 1141.37 19003.5 18203.92 15473.32 7071.43 8646.35 2912.82 6343.17 11235.79 11224.81 11851.61 7372.01 11990.61 11796.29 11285.67 11210.09 11866.99 Thromboxane B1 596.85 210.65 447.59 2074.78 12029.21 12748.42 5096.97 501.74 67.89 317.69 481.3 480.35 2316.65 532.22 379.83 1239.57 330.53 613.7 688.88 423.87 352.34 582.74 102.01 243.28 128.43 197.72 439.26 165.13 98.08 283.02 218.96 208.08 73.83 69.1 198.23 292.17 111.43 502.46 116.26 68.69 5330.79 883.44 993.73 117.28 799.83 1735.71 404.29 258.72 267.08 837.2 646.19 583.13 128.17 158.08 845.96 337.63 1388.13 1041.81 159.76 3488.24 248.05 976.37 395.36 713.29 416.41 114.26 157.62 116.44 305.88 680.76 87.45 123.25 482.5 544.36 165.22 3439.57 3127.49 3149.57 3353.8 1729.85 3082 3385.43 3499.91 3616.8 4-Tert-butylphenoxyacetic acid 62167.94 56133.1 54921.21 75804.93 43836.09 42174.47 55029.78 60474.16 56443.02 73242.84 72204.48 64757.52 58212.8 82708.2 63075.66 59454.48 88098.78 68360.54 65989.71 52826.92 32101.32 40355.66 55041.2 55163.15 44760.15 38533.13 43293.26 51327.93 23844.62 70582.64 32303.49 40587.98 49408.98 42455.4 52653.18 47149.21 51192.11 22641.61 75765.13 54624.32 53974.76 45350.53 70572.69 94815.14 63223.36 57934.9 60527.2 63650.4 53385.1 50384.54 54307.18 62254.39 68429.95 53134.69 76128.24 63136.24 66083.43 84411.59 73672.22 66069.23 97228.6 95707.59 75706.18 81990.75 79355.5 64958.17 58971.13 89803.52 84919.46 68085.44 64667.9 74097.1 82053.87 69967.1 70125.7 66884.66 66826.13 67150.3 67026.56 67280.91 66749.38 67150.02 65416.17 67101.01 Docosahexaenoic Acid Glycine 1107.95 1405.23 1265.2 2047.65 1069.78 3828.03 3414.28 1562.59 995.06 2289.6 2018.23 6878.02 4574.89 2122.69 990.81 3379.55 3003.76 1005.35 3642.76 2375.73 657.23 500.25 2484.9 1065.41 1850.85 599.48 1260.61 862.08 5186.29 2010.16 955.82 2545.28 703.56 1549.66 3303.51 1052.18 1023.56 943.37 1433.73 1128.07 539.44 2098.29 2009.82 2346.25 1686.74 4675.74 1312.55 1764.18 7317.84 3679.04 1791.41 1639.84 1816.56 4024.9 1229.59 971.17 676.17 2465.47 1491.77 2019.39 2114.09 3103.28 699.01 2552.06 2281.7 2580.36 1234.66 9291.6 2097.72 1137.98 513.03 3071.76 1240.74 2093.21 3325.91 1969.58 1767.83 2209.9 1959.57 1864.68 1846.42 1958.25 1826.5 1767.41 Paptga 24657.24 35882.84 8090.99 6103.08 16994.15 22146.28 10314.13 32672.4 42570.36 5253.46 11952.9 14534.21 6989.39 4159.89 32127.53 22321.75 17841.69 23653.28 19488.27 85182.44 60831.71 10903.1 4787.96 9777.59 31616.86 25391.96 11265.34 16405.39 44429.46 3441.61 40820.56 23794.24 29410.75 7537.79 13251 19211.2 39882.87 8751.61 8155.56 12891.6 50014.33 43741.36 13221.68 5321.74 15279.56 5957.61 35704.25 43139.21 5579.24 31305.4 9585.42 19479.05 13968.72 7191.47 21561.89 42163.64 9880.68 12861.74 31104.5 16117.67 11528.47 6872.47 25800.69 17527.41 20754.72 20739.54 68164.97 23771.21 22936.64 44011.03 31491.59 19099.2 26921.05 12448.45 14170.49 18359.72 18207.48 18595.24 17324.72 17990.5 18056.18 19246.1 19015.74 18051.73 Sinapaldehyde 3703.13 5907.89 5724.47 3222.88 1069.24 525.99 2104.6 2665.63 2348.5 5205.68 9392.83 2072.64 1875.21 4153.73 7505.87 7602.64 13755.13 4904.15 2799.83 758.53 3478.83 2797.1 1726.18 2191.23 4687.54 3306.25 2727.72 1693.13 2015.17 566.74 3056.93 3490.48 6362.84 3514.98 2701.43 2536.12 4342.24 2343.79 2620.66 4318.01 5161.05 3420.3 5242.4 10088.17 3390.56 3327.74 6602.98 3679.59 1995.66 2291.72 5843.9 8030.15 6311.71 3287.89 4238.2 12981.85 10099.79 4590.43 10366.88 4411.07 5336.98 2783.06 7861.12 7443.44 9709.62 5318.37 5285.12 6262.97 10100.73 4812.03 4988.18 6208.86 6630.32 7222.43 4907.89 5298.18 5438.06 5322.56 5139.41 5406.28 5238.44 5431.74 4964.75 5407.94 Chidamide 10522.92 15051.03 4487.55 9786.77 2729.89 8043.68 3709.26 3863.51 1911.21 5101.12 9560.2 15957.75 17625.39 23045.98 10800.64 15202.14 4453.71 34773.29 17507.61 42026.25 3383.44 4154.13 3492.86 6296.59 1426.46 4634.23 3112.73 6831.44 13889.37 8875.9 14923.66 22829.36 4490.76 6229.42 3374.68 12414.19 4377.34 1868.36 5769.45 578.28 22817.6 9889.39 6700.04 14605.58 24712.37 19706.38 12593.26 5109.64 14150.16 21780.65 11951.37 12299.48 12364.45 16251.44 11860.88 13285.8 2321.42 1738.67 1590.01 1055.6 9774.78 3105.13 6646.13 6893.12 8111.17 12067.87 22796.75 12991.98 16754.58 1260.17 1598.49 6677.54 5110.6 9081.39 7906.5 11057.81 11861.82 13267.18 11955.28 10494.4 11329.44 11313.95 11729.13 10609.08 12-Methyltridecanoic acid 1120.45 1636.15 1268.83 1449.25 3239.43 2952.49 6531.68 2388.58 2413.89 1954.55 3022.39 2536.4 3369.65 3283.02 1343.92 1644.02 949.94 2186.11 2424.63 3064.89 1731.75 1122.28 1155.01 1118.37 617.83 773.54 905.91 1052.74 1591.57 1773.11 952.27 1242.81 709.99 1412.52 1059.7 1223.37 1186.4 473.56 1565.81 537.96 2620.15 2082.09 2104.9 3219.22 3078.73 4836.49 2657.87 1637.65 2411 1788.13 1057.89 1405.31 1204.06 1438.28 1238.68 1355.41 1094.25 1423.06 1628.04 1158.83 1844.43 1203.58 1498.35 1794.64 1382.84 1443.7 2924.43 3999.65 3439.32 1381.13 1088.59 1040.3 1633.8 877.08 3131.44 2461.98 2371.48 2605.67 2404.65 2442.48 2376.31 2453.58 2370.32 2418.85 16-phenyl tetranor Prostaglandin E1 3583.15 2899.68 2227.56 1131.69 2028.34 4375.41 6264.5 9162.05 3471.99 7471.65 6791.21 19955.56 20076.14 10093.04 4184.08 5765.73 1102.4 8756.53 8614.08 928.67 6035.2 3367.76 17930.12 1455.87 4993.4 1893.38 1039.77 7468.03 7111.85 5255.94 1455.65 13328.28 2833.24 7158.19 3499.49 2975.61 4348.78 1063.07 7475.23 903.91 343.94 8700.12 8877.52 6376.49 9142.23 5222.41 2309.67 3955.45 22957 3663.69 15539.15 6072.22 7859.71 2210.39 4606.34 3049.66 1581.57 2546.57 7885.34 2288.24 9102.74 4732.48 11641.51 5223.61 4378.22 8242.02 3265.81 2908.34 2360.43 3651.12 963.2 4939.47 6477.3 2800.21 2774.2 8137.88 8386.04 8342.06 8837.92 6878.64 8920.63 10781.93 8160.04 8849.42 Ginsenoside F1 40302.98 31652.72 156929.22 98356.64 16556.7 565.65 5039.11 119609.88 54371.11 46043.37 127329.46 59748.14 91398.7 60503.33 73962.62 164795.18 87050.43 58067.45 326209.35 4719.49 35566.02 14646.04 157125.53 67614.33 47416.8 22002.33 31907.13 41015.34 84880.72 8612.27 7522.87 93193.75 35162.13 88752.36 67108.44 69358.99 33490.04 11517.61 78142.99 17759.6 36123.35 48957.06 129115.62 41698.12 66837.75 87329.53 87464.23 202840.74 149701.27 171014.85 46514.05 77869.04 266010.82 140591.01 92099.33 40148.23 44047.93 47026.62 82029.69 12587.08 192764.04 83779.41 88406.01 275998.21 120260.67 63778.9 10081.02 64126.12 55439.84 106216.28 33343.35 101808.42 119018.89 164657.3 182718.11 3098.97 6759.79 2898.76 2789.33 3371.93 3209.77 3319.06 3015.48 2967.84 3452.59 4130.14 2567.17 2820.34 2916.66 2723.41 3642.25 3354.56 2987.77 3029.16 3072.71 3285.29 3147.01 3372.13 2989.91 3117.99 84028.31 84730.52 84729.86 84525.53 85213.03 84741.48 84046.94 82125.65 84345.3 7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin 56889.49 13538.09 337.36 1612.4 46260.2 13496.22 15400.72 91465.59 78294.96 38904.29 24912.36 46756.47 9230.77 16914.5 50511.75 30489.3 2375.96 73527.46 32505.86 164396.02 56518.01 692.3 1617.24 6152.39 58821.02 23392.29 8157.85 30582.99 61329.54 48701.46 71244.77 23678.73 6599.66 5078.9 3223.8 56967.11 49353.32 3065.2 3299.94 16469.91 106369.49 70235.04 7400.37 9843.73 68069.25 9370.09 110378.69 26607.49 34473.55 44834.73 36848.54 11761.03 7805.41 958.35 46365.48 10202.74 4103.07 3824.12 50445.11 11168.57 8604.13 553.2 18713.67 2875.12 11447.11 58218.44 52801.9 31922.71 44244.69 68861.25 69784.8 32645.91 52416.61 2572.41 19179.32 50213 49753.15 49742.17 51612.73 50450.39 50161.25 49745.92 50197.56 49635.4 Lovastatin acid 89482.17 56869.53 131221.75 130191.12 9423.5 70336.72 28146.16 89765.38 43983.27 184483.08 250813.43 189833.79 243824.85 233591.67 97782.77 142531.6 188158.58 56190.32 209066.9 8817.77 33901.41 57396.19 213834.8 135219.39 76541.35 43670.29 85750.09 148465.24 65698.94 8344.15 15148.05 152797.61 34609.93 144301.9 113941.98 51362.47 54730.44 8257.92 207804.76 81328.84 7430.53 82602.9 199422.53 235447.25 63699.16 133829.76 63788.45 152324.31 101362 163328.47 62569.53 96002.32 238015.82 224053.3 62294.95 71485.95 107778.25 113398.76 60702.26 52224.6 195368.92 263383 65736.21 165822.12 117254.88 117610.96 17623.19 256531.21 247990.26 72225.74 34325.58 250005.79 165091.69 199638.74 248387.29 14373.08 12148.71 15375.34 15291.97 13127.24 14216.05 15792.86 13531.6 15601.05 15153.38 14181.16 11696.89 12379.73 11314.99 12383.86 12766.55 15588.17 16318.83 14392.33 12626.1 15840.22 16969.98 14513.12 17337.11 12834.6 95202.71 95191.75 94665.54 94330.92 95214.61 94610.5 95193.44 94330.59 94348.08 Strictosidine 704.89 3775.03 3303.59 4167.08 2766.18 1157.19 2627.61 2097.2 3389.13 1593.34 1733.08 2386.03 3597.06 1872.28 1179.05 3235.27 4184.85 4371.47 2456.02 3170.04 602.47 2037.66 526.79 826.84 4505.61 2740.89 750.09 2116.6 3122.02 2997.47 2784.9 823.79 2020.49 1953.55 2065.38 2477.24 2865.93 3178.89 2026.28 2391.3 2590.57 1917.57 3985.15 2031.07 2392.33 1777.27 4033.19 5084.06 2583.48 2079.03 1921.73 962.12 3731.31 2195.89 3734.32 2374.04 4430.88 4952.13 2451.08 4868.21 3221.57 2376.75 5933.97 3790.56 4208.19 2370.36 1189.75 3791.11 3280.98 5965.91 1350.33 2745.71 3024.95 5358.66 2230.84 2432 2791.77 2585.31 2260.28 3082.6 2629.87 2623.22 2568.39 2757.19 Eicosapentaenoic acid 13707.55 16564.92 9134.22 8653.71 9354.57 7747.6 8120.29 11777.14 11329.91 8614.12 13436.51 16842.38 10317.35 13624.91 11364.69 12517.5 7797.57 14342.96 9019.35 12123.44 8904.46 20476.41 6717.23 17877.97 16083.05 24999.13 11113.96 3298.72 9546.09 19961.28 22011.48 14459.51 9135.15 17078.14 29582.16 15316.4 19890.55 36275.08 21453.64 27178.54 12056.11 15337.06 14047.37 21277.64 11198.64 10281.11 12000.82 11483.52 10274.61 10487.05 14155.27 12716.12 13514.93 13813.22 8865.91 16278.22 17998.54 30808.77 12126.98 22865.45 16550.34 17979.4 9224.86 10583.81 10623.01 14696.24 12051.37 16217.85 9854.5 9253.59 14477.7 10927.33 12075.29 10568.96 13810.58 28607.15 30295.97 31481.58 30149.83 29855.09 31114.94 22406.08 31067.28 31310.83 31648.84 43983.19 31906.42 31367.21 29828.14 31576.78 39236.78 31540.18 30088.62 31095.07 32822.73 31836.68 33467.08 32144.07 32888.45 32448.55 10053.29 9758.18 9872.37 10234.18 10186.15 9864.39 9871.26 8758.87 10054.12 Ergonovine 8854.94 8275.23 11098.7 8852.12 11773.7 728.33 8965.75 10435.67 8135.15 13624.18 22517.99 25432.21 17158.1 16888.29 12572.18 22402.35 20007.75 6551.14 21681.6 8489.47 7860.55 5845.01 14658.25 12871.66 8351.99 1818.17 9437.73 13732.76 3775.83 4413.43 5897.88 14892.18 7159.96 12495.19 11681.57 4119.93 8985.17 1954.72 15728.37 10322.43 5148.84 8926.59 18522.5 16555.2 12626.4 13072.34 10801.23 16436.05 10849.58 22918.46 7698.96 9208.8 17652.99 17251.87 10062.89 10654.65 10569.15 11090.88 5681.57 2969.47 18726.17 17485.18 6244.21 23144.57 18979.31 13379.91 5129.96 21206.16 20091.17 11091.23 11558.82 14647.87 19422.52 19999.78 19657.98 13726.17 13895.18 14178.46 13905.16 13734.91 13735.6 13894.18 13846.57 13809.57 N-1-Naphthylbenzamide 7061.12 7042.2 7018.88 8759.23 10949.42 11301.36 6670.84 8909.77 9032 9071.14 8945.68 11858.09 13122.89 8324.65 11087.47 8000.81 10828.14 10444.01 9330.16 9600.72 7227.88 6531.32 6314.97 5895.66 5899.66 2786.33 4894.34 6183.69 10163.16 1058.26 7925.4 5962.89 5871.11 6692.3 7153.02 6162.46 6753.65 3676.85 7432.62 6040.99 7903.95 10899.21 9022.57 8418.47 11213.84 6913.22 6564.74 7211.9 5100.32 10999.83 8375.09 8894.91 8134.85 9485.04 8822.9 9212.64 5143.89 5536.46 9093.79 11487.94 6243.51 8445.71 8915.47 10876.96 7039.85 13750.73 9275.34 8940.21 7507.59 7775.24 7367.97 10076.6 3503.62 8721.05 8333.5 8989.14 9057.44 9058.31 9329.73 8950.1 9057.38 9045.03 8949.4 8954.22 FFA(22:6) 963.36 3555.95 7815.44 8856.49 1322.31 1928.66 4513.95 818.79 2132.36 2090.44 3727.03 3110.59 9384.89 6598.79 1872.18 3305.99 4254.17 1954.67 5387.54 2980.04 850.32 6684.07 10175.72 10052.5 1342.21 1221.88 6886.05 3127.4 5282.01 4197.45 3212.53 3676.13 3475.79 7473.11 9459.7 1952.87 5685.93 3002.63 6781.22 5679.93 2237.18 2465.61 7856.94 7147.11 1126.65 2719.64 1582.6 4274.85 4119.08 3729.37 1992.73 4796.38 8786.56 7270 2656.84 5841.64 7649.96 11759.14 2759.95 5418.79 12291.12 11616.08 3273.29 4388.35 1958.95 2338.07 1964.72 4883.71 3003.54 2421.51 861.37 3824.26 3403.26 6817.2 4260.12 2189.32 2246.4 2167.19 2488.99 2112.64 1934.5 2038.19 1936.24 1644.7 9-deoxy-9-methylene-Prostaglandin E2 8321.66 2450.79 1521.42 2039.3 4908.47 2410.74 7951.87 23071.13 22252.85 1580.41 2027.37 11371.57 3040.78 2433.89 23489.86 2616.53 587.95 7619.29 4860.97 11125.54 18280.49 5490.9 487.5 1100.8 12353.4 9986.8 1460.48 2093.89 5182.06 4267.21 21818.72 20911.59 15062.92 1693.01 1311.76 11939.42 6238.38 1553.89 1530.08 696.05 13229.06 18620.9 709.43 361.44 46885.34 1695.99 15920.71 12118.27 2258.81 3863.65 4685.8 10490.22 1502.52 1523.52 21403.66 9757.1 905.52 1646.32 35293.36 14512.35 1879.5 2432.74 38064.47 278.63 2089.54 13341.92 8298.3 2350.49 1972.12 12741.06 8603.44 377.39 3176.15 2633.67 371.59 9332.25 8058.4 9115.64 9326.31 9392.42 9328.49 9303.51 9116.73 9124.52 7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid 1457.95 1864.92 2632.68 2120.51 20309.66 672.46 3334.39 698.29 898.57 277.51 1739.93 2072.8 2251.37 300.61 1680.6 1197.72 2146.5 1204.94 3026.81 1773.41 587.79 1481.7 985.91 1106.9 630.4 282.69 1534.38 1062.71 1836.42 443.37 284.68 1374.74 695.33 722.78 561.03 1429.17 1083.39 473.79 987.75 548.64 12966.84 1598.89 2468.19 424.2 4723.08 746.55 1434.23 1243.49 237.98 429.3 749.9 1990.78 895.15 1748.56 2490.81 1610.93 1408.38 854.85 1022.07 1562.81 1924.4 556.45 1581.81 1165.05 582.22 3349.04 997.06 1224.61 886.04 279.35 1400.28 579.25 439.99 2038.53 1506.94 2613.92 2885.89 1159.56 2722.35 2870.68 2779.33 2557.76 2532.97 2603.04 2,3-Dihydroxynaphthalene 10203.9 18195.91 12854.88 10364.71 5437.27 5314.29 1297.19 7907.73 8080.57 14221.64 12680.72 9727.67 7235.25 2746.41 12870.15 4000.07 23602.29 1945.6 12034.06 3871.22 15600.47 12091.45 17130.64 30167.11 15082.75 14373.89 30592.93 27444.89 24615.99 6480.81 2834.82 3616.95 27437.02 21179.95 23312.31 15768.55 14746.19 15749.2 21464.42 20815.82 9299.13 1642.15 23948.63 21964.94 6752.38 3797.67 11629.24 22097.6 15052.93 5554.73 4024.63 15288.57 17895.09 19400.99 4227.17 22819.78 19470.97 23936.76 15611.23 26599.78 25263.52 17674.13 17076.3 19986.88 17718.05 7554.72 12809.41 18135.89 17786.43 14155.7 12450.84 21314.02 15122.3 16731.94 14818.96 9316.42 9373.6 9443.63 9843.9 10109.77 9739.31 9401.64 9797.14 9314.3 Tetralithium 3-hydroxy-3-methyl-5-{[(phosphonatooxy)phosphinato]oxy}pentanoate 2022.5 10616.4 2475.16 5103.77 706.08 1430.86 5569.99 2426.17 2821.79 684.78 6472.95 6352.36 4149.56 3777.7 10726.1 8973.75 45058.01 4495.29 8855.02 6186.96 2710.85 5058.47 667.23 1204.21 781.44 2453.01 705.85 3060.52 2987.27 1787.92 19006.56 3764.42 437.84 4337.03 3683.87 600.66 926.5 2045.86 1130.98 5136.37 597.48 521.24 1083.91 2582.76 2187.08 3936.68 4388.12 6200.83 4074.64 4219.08 629.46 1973.28 4908.67 4894.23 3474.07 5971.49 4391.37 5537.74 2756.11 3184.06 9832.52 4888.29 2653.55 628.7 2900.95 2563.4 675.72 6481.85 18451.7 1936.95 1615.57 3176.78 683.32 1563.79 6680.18 4967.11 5002.08 5276.03 5081.03 5013.06 5078.02 5073.59 4905.92 5072.79 Hydrocortisone acetate 8082.77 17054.54 3196.69 7844.64 10191.57 18764.01 9401.93 10241.72 11883.4 4514.55 6929.66 26270.69 64737.46 32905.22 24703.71 15329.89 13063.43 35680.41 9277.81 35217.61 5682.66 9616.73 2625.27 2728.8 5986.06 8564.57 2081.21 3359.05 9979.41 15759.7 18308.3 41188.89 3056.93 1193.27 1379.92 5791.68 3599.47 1500.19 3264.62 498.37 37687.9 25498.45 3699.09 8939.01 31477.61 29348.63 18842.47 15253.7 28012.47 58234.44 13734.56 20056.91 11412.69 17141.86 18089.21 2030.23 30203.24 8359.26 4988.11 16468.51 3807.73 2513.59 8658.83 6749.12 7831.89 25096.08 7571.55 11140.98 9596.33 4461.63 9085.16 5934.01 5038.36 5867.97 3866.73 19474.22 19218.14 12836.81 21757.9 19537.8 18357.57 19458.38 18364.86 18415.36 Neuronica 11468.72 16863.68 8225.2 19958.17 8433.95 17711.12 9423.99 8241.77 7231.2 4660.74 8979.1 12230.83 23578.28 25403.96 17535.73 17367.96 15044.4 17362.83 25130.5 15807.91 5245.44 5271.97 4422.93 4090.99 3658.77 3806.34 3141.84 3117.7 5025.17 6204.4 8290.39 32288.34 7468.52 5864.34 4555.83 4616.89 3315.41 2616.5 3439.64 2474.09 11259.4 18142.3 8256.87 9344.86 20084.26 26491.33 10823.41 8090.16 8858.12 47005.63 13093.54 22916.89 11910.54 13630.65 14792.72 24904.27 8474.72 8880.5 5596.01 7526.4 5234.55 5476.57 13112.38 11361.88 10163.77 18151.03 50674.95 12880.94 15050.55 7315.13 7410.18 6964.27 7473.15 15729.09 10495.79 15944.43 16000.14 15919.23 15943.91 16799.38 16088.44 16339.84 15327.78 16371.9 Domoic acid 1912.52 3579.65 956.92 3018.43 1174.74 2589.05 3238.94 1701.35 1272.42 3525.34 1987.07 1341.99 2079.17 3589.01 5309.4 2506.87 2462.6 3321.88 3696.51 1038.02 1895.64 1122.77 2910.99 1111.05 897.54 2824.4 1133.24 723.14 2702.61 1071.59 1947.44 3327.28 1576.61 1612.69 1457.16 904.46 873.9 707.4 1919.76 1423.9 2394.98 2397.42 3493.08 2127.73 5674.36 1461.14 4040.62 4987.38 861.31 4531.91 1080.34 4665.66 639.29 1393.25 366.02 3645.45 1432.04 1550.85 2809.06 1757.34 1263.17 2268.35 2044.84 1668.37 2247.88 2256.13 3842.4 885.04 1535.44 1466.96 3827.96 6344.07 2346.66 665.57 2854.75 2855.81 3006.09 2897.17 3248 2691.06 2993.83 2855.18 2839.42 3011.44 11-Oxoursolic acid acetate 28062.4 23090.88 43391.52 24923.06 19655.72 14918.33 18769.02 20787.8 18484.43 23276.69 25313.8 27436.91 18988.35 22925.36 20503.64 19657.91 28895.76 21249.78 21541.39 16257.69 35717.33 32490.99 38329.63 41735.63 40438.15 36680.26 59794.21 43418.5 33313.18 56014.88 38137.31 21692.06 39019.87 40706.19 77636.31 40072.28 40465.77 89227.68 42260.46 62154.59 20967.79 27613.81 32825.6 32267.53 18263.81 24125.2 20870.68 31299.66 42398.42 19839.94 36932.73 22794.52 30923.39 30706.01 32082.46 27101.79 54503.75 70651.58 23785.26 36916.81 34599.03 25687.04 29929.23 27505.73 25512.47 24374.36 21032.61 27173.23 27980.97 23631.45 22212.45 23041.31 25357.93 20834.34 24098.17 85194.4 88503.67 88015.22 86815.15 84532.83 91038.04 83012.37 85392.05 88711.79 88201.93 145946.0 87209.71 91932.58 90474.75 92224.91 201419.97 90007.74 84410.77 92400.65 93975.55 91571.75 92524.88 88082.49 89663.01 87917.92 21375.46 21027.81 21154.68 20494.13 21042.2 20906.34 21206.1 21817.96 21203.15 Bardoxolone 14976.54 12504.93 53271.01 13762.98 848.83 43670.85 49486.48 17768.63 11131.74 10766.72 55293.87 3161.47 3379.4 3866.83 22073.25 12086.58 20217.19 5812.94 13110.2 30401.61 117419.86 8895.58 82098.61 39185 41436.14 21283.92 19809.1 25516.29 53635.59 31271.4 14668.68 17430.68 35334.87 34600.96 31248.85 34101.25 26553.55 3316.86 27478.09 19419.46 3421.51 10848.95 32712.73 24036.49 7110.66 9085.12 3490.75 106334.36 61098 18309.48 9419.52 8353.78 53664.21 35738.65 22302.99 6163.69 28659.75 40734.09 23839.53 2114.75 42170.45 22472.52 72412.06 47517.13 34169.71 9447.76 1328.18 11546.99 15246.9 21562.75 9926.99 12523.62 17504.94 26312.83 22047.96 10863.48 11990.41 6044.16 11782.34 10965.81 10521.15 11792.99 12023.77 10134.07 Gingerol 391.04 161.4 84.46 452.65 7750.37 68520.22 38294.02 1933.45 1088.34 394.39 149.56 507.58 43823.52 2302.17 1481.11 5539.23 713.43 227.65 474.06 133.93 656.1 102.82 928.63 88.44 198.29 99.31 184.9 1068.76 3101.44 527.78 79.87 1550.56 126.79 2308.97 150.06 115.19 485.51 491.15 665.1 581.94 1952.77 542.6 172.69 148.79 1309.8 34910.83 223.99 271.18 196.35 5755.51 1945.56 619.38 437.6 1091.47 2180.54 2137.01 84.74 96.04 500 281.29 144.98 1844.32 1622.4 139.79 134.35 26623.7 495.09 237.88 137 787.47 208.75 912.67 124.21 481.29 1902.04 3472.68 3636.92 3495.89 3490.84 3619.57 3547.35 3514.85 3473.65 3678.51 (+)-7-iso-Jasmonic acid 3865.66 2956.68 2661.75 3478.6 5876.95 2074.55 6721.16 5608.35 6554.91 6304.93 8690.33 13784.28 9547.38 8728.62 5847.21 9792.68 5366.51 5837.89 9976.34 7059.14 4428.9 1679.93 4374.47 6448.71 3011.88 1184.58 2872.26 5493.77 5491.04 6142.26 3498.36 13204.05 2679.69 5439.19 3823.5 3217.64 3189.97 916.49 7423.09 2776.31 6446.36 5633.25 4673.01 6475.86 6042.47 9163.72 7540.86 10913.06 8946.73 13237.67 3398.85 3974.95 6138.99 7868.83 4395.14 3275.18 2711.77 1968.89 4924.96 1154.18 7322.5 5201.7 2769.61 5000.02 5651.38 6065.24 5407.24 8906.77 8878.57 5899.49 4322.15 4950.74 5517.04 5114.33 6835.14 3605.5 3387.32 6226.39 3281.58 3161.9 3416.34 4552.98 4370.18 3171.17 6483.45 3167.61 3429.65 3389.09 3489.8 3503.08 2811.8 4182.03 4126.34 4347.5 3425.39 3404.59 3574.14 4028.42 4635.95 4058.16 6810.31 6799.45 6773.59 6850.48 6808.26 6729.02 6827.17 6750.47 6750.96 Propyl pyrazole triol 12894.67 1600.71 1874.48 1232.58 4669.25 1005.68 1467.14 1242.61 4879.58 1179.6 1243.29 1675.75 2574.24 354.11 5803.38 1844.24 637.07 10881.72 7149.8 7092.81 2063.18 835.4 2110.93 340.2 508.35 3709.54 1652.97 4383.18 809.13 944.36 3457.95 3316.74 311.13 714.63 800.85 745.26 1786.47 666.19 308.35 319.73 5146.31 11267.18 1256.25 1158.27 29349.41 3604.7 6771.73 1840.41 2238.9 8266.93 4368.54 1407.72 313.23 2939.52 3992.04 3296.84 1311.2 1029.74 4580.54 1597.83 1723.48 1407.52 3741.98 701.05 1942.57 5621.84 6833.97 653.7 2834.33 4434.25 3713.32 786.54 4158.01 2894.18 2472.52 2982.03 2356.09 3195.73 3085 3445.31 3527.68 3705.95 3297.03 3096.38 7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine 10110.2 8376.01 6156.6 13781.48 17705.57 13234.69 21292.04 12804.65 23602.89 21631.18 13110.79 15150.1 17874.08 9288.61 9643.58 16174.06 11000.69 10504.99 27210.34 28553.73 7638.22 5497.21 10608.88 7272.89 6144.92 3410.5 6449.84 6201 5282.42 5900.59 5016.54 16548.49 4689.06 8272.75 4220.84 2160.64 4783.4 1001.81 8802.81 5164.05 14197.93 6341.04 7407.75 7006.37 15806.17 30331.06 7268.25 9250.37 6697.08 17482.4 6160.95 6513.78 8882.04 8797.08 8811.19 5701.91 6078.6 5882.78 13006.85 6607.29 10254.08 15833.38 3327.08 13610.22 11029.49 14769.31 16264.23 13090.37 9752.76 10221.48 14920.24 25056.8 13353.95 11262.44 14182.23 9278.16 9969.66 11559.59 11335.09 10322.23 7704.91 11455.36 10991.83 10689.6 7100.91 9924.77 8835.61 11331.9 11780.16 7952.27 14325.98 13548.07 13494.44 19054.81 9011.63 15562.94 14705.03 16438.94 14032.45 18650.21 16145.58 16668.97 17585.69 16784.85 18360.01 17548.81 17688.06 16640.68 18587.51 Cilastatin 286.59 541.78 1241.04 2702.52 3924.01 1019.39 8247.08 4871.98 2996.02 2077.1 1766.4 5305.81 2270.93 1751.51 3793.98 2396.29 741.71 4410.6 392.8 2368.26 944.81 489.35 2639.43 864.83 2495.25 449.26 856.41 1069.72 3373.84 743.1 1101.2 507.35 594.01 2542.67 1409.21 2383.22 842.26 993.33 1560.91 1294.93 1373.17 1688.39 910.33 270.55 1586.61 9069.2 3978.1 1735.68 1271.92 507.56 3528.1 841.79 1449.77 4840.53 2855.79 934.98 367.24 1384.87 1430.35 804.97 371.15 1795.4 628.04 2738.51 417.2 3981.12 297.75 563.67 912.44 1021.18 2314.07 1718.62 3269.21 7774.6 9691.77 3746.38 3838.1 3747.36 3807.06 4057.49 3784.51 3840.98 3370.26 3743.21 Docosahexaenoic acid 773577.56 225955.1 79138.1 163527.69 166398.52 28860.21 232120.54 368890.28 661779.93 480830.05 588517.04 98624.93 651279.36 390206.68 246493.69 138853.69 122258.85 108848.78 517281.15 227671.15 279023.34 17415.69 259815.94 445235.94 371627.58 165052.79 673572.05 512723.75 118571.6 45434.12 92048.87 227858.49 47276.87 553165.43 211038.5 253153.66 303490.48 44143.05 740914.91 175152.75 226917.38 516652.4 271891.56 419743.52 599663.43 490365.23 316638.78 90212.9 842629.48 402455.61 682646.83 135106.98 224682.17 268450.03 390216.24 255969.18 77234.31 124866.27 142649.99 56836.77 395377.42 360410.73 421795.1 98961.14 57141.12 504372.74 244293.71 594502.08 195809.48 380376.39 580929.44 560639.65 215577.82 216823.31 548338.17 376633.16 390632.44 374017.99 374067.78 376633.94 374886.47 375705.98 374019.21 375737.71 Navitoclax 16400.54 4065.19 835.96 439.89 15468.21 1495.51 971.71 32964.85 20575.45 3538.41 3083.09 8527.99 3999.77 2864.9 6530.61 7739.06 1426.18 15641.49 4656.5 9586.69 10358.54 1694.91 331.6 2149.69 11381.93 2996.62 338.98 3566.35 10054.95 5189.42 16975.71 5931.03 478.38 1638.48 250.57 10024.3 4777.49 1046.42 1406.93 2073.51 22673.85 11932.71 1293.86 624.73 20805 781.8 32199.32 3492.62 3176.84 15174.56 7055.49 2266.61 462.48 3146.55 13799.3 771.34 657.98 364.21 16658.34 2228.56 906.73 290.34 5103.91 895.62 1865.9 12906.15 12274.53 6824.7 10128.66 21398.95 11342.63 1495.5 13048.32 1548.48 3762.78 10431.43 10588.7 10965.76 10533.93 10570.03 10436.52 10588.59 9797.23 10623.7 2-Hydroxyisophthalic acid 75874.8 71566.49 19087.27 17101.56 68360.34 39812.21 30655.77 85307.57 106932.86 36168.64 36392.3 41842.72 20797.55 28145.51 75777.46 31946.94 19479.29 74746.26 51486.92 112554.92 106160.37 46996.65 28936.83 28257.51 118782 67719.66 22959.3 31351.16 73706.84 25704.19 87321.84 56192.52 62276.85 33636.11 28148.11 92356.29 91296.32 29608.35 27171.41 23784.1 118132.74 133601.92 35750.9 25270.96 64242.14 31521.99 77743.06 58192.46 35322.96 48351.01 86231.37 98357.4 35409.65 29325.46 41280.67 66632.94 16674.26 20718.93 82135.54 42700.19 18891.42 16923.43 67862.61 24968.14 32152.69 68685.07 161125.93 20945.54 28632.94 89482.42 74680.9 42201.97 26974.49 19246.07 18303.69 44883.78 44494.94 44695.08 44332.95 43440.13 44351.55 44721.6 45804.47 44886.57 Atractyloside 6362.49 2126.44 383.88 1452.92 3672.08 8172.62 13631.59 8599.56 6690.59 6326.42 7380.69 21139.73 12399.71 11215.5 9120.73 19403.3 20912.56 6330.89 15069.41 9876.99 3215.31 911.06 1393.66 1981.67 3177.52 3073.56 3507.12 5928.97 6449.23 9452.43 5053.47 15557.1 2623 5032.51 847.7 3227.18 5402.23 1040.04 6057.79 1886.74 19927.01 14328.3 3940.11 8195.43 9151.61 16343.95 8552.81 9653.6 11494.76 27170.49 3444.28 2090.78 3857.49 9486.55 3704.39 1874.79 600.47 723.03 2314.61 1211.9 4323.97 4576.84 3351.93 4106.69 6709.57 5377.84 6991.48 15473.53 17162.02 3677.57 6696.46 8919.48 9828.66 8182.6 16991.45 12048.69 12100.83 11747.69 11661.9 12051.38 12094.35 11673.89 11674.84 9829.72 Red Violet 2RN Acid Anthraquinone 33891.87 9821.65 449.09 5133.93 38928.59 4233.19 7646.08 70580.49 50421.8 21181.34 16789.02 62231.4 12772.26 23746.55 21939.84 29989.84 18504.97 46781.5 21328.41 68829.78 30500.71 8362.99 8850.25 8434.4 50884.07 13638.99 8428.72 32049.34 67412.34 53089.25 63116.7 24827.63 8191.59 1144.65 4594.11 65512.95 43853.3 4632.16 12553.95 16189.32 76005.31 48641.41 7887.35 16428.05 62529.66 12756.86 105434.84 22911.15 41155.54 64840.88 21391.15 10968.86 8396.65 15499.9 29838.5 2346.75 1949.94 3473.89 27546.42 1377.55 7315.58 2755.1 9470.17 14001.78 29516.06 42655.74 27419.02 37568.51 57655.96 43697.13 34835.51 17461.36 47418.55 15008.44 19343.03 37321.47 37418.6 37350.92 37421.41 37635.05 37418.42 37083.42 35637.24 37157.13 3-Hydroxymethylglutaric acid 8862.42 9070.83 2706.78 681.03 14317.41 17179.13 11273.75 15884.84 17322.2 6748.29 11610.54 7394.9 5130.74 4954.66 20181.12 12669.83 6021.24 15813.67 9722.77 24787.03 6993.38 6991.98 2668.23 3510.37 6216.83 5795.57 2066.42 2919.87 8465.4 1250.43 6722.79 6684.25 5772.56 483.84 3431.64 4589.01 8312.17 2223.86 4456 2732.75 9520.02 13092.12 6178.56 5752.64 16168.27 7901.18 15997.03 6845.67 1696.92 11441.6 8624.47 10884.08 6267.76 7234.54 10246.68 10175.99 2555.37 2956.36 16125.27 5805.33 6393.36 6125.62 6692.63 8059.38 8793.54 13211.59 18444.4 6036.28 7995.52 15876.27 15860.5 10577.63 9703.5 7900.47 9593.75 26462.47 42310.22 23570.86 17158.33 12049.47 56291.59 41314.15 24534.91 37457.16 22862.51 44183.55 32096.42 41390.08 18665.96 16719.68 19321.53 40851.06 19963.64 30687.88 35043.04 33247.67 25380.63 34474.76 39389.28 11076.13 11088.55 11083.91 11855.99 11124.79 11267.81 11280.83 10746.69 11288.99 6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one 16463.31 17268.66 9148.7 13039.04 12979.49 16468.25 13146.95 21012.91 18246.92 14481.07 17290.57 9185.81 5271.47 11666.58 21541.86 23668.78 20856.34 6245.13 10014.26 10844.81 23533.15 10671.42 10007.35 11331.6 18388.21 16165.44 13213.92 15555.56 20784.08 14885.08 20840.56 13935.44 20454.3 9754.44 11532.75 17268.4 24525.17 11695.88 16043.45 16364.52 18464.05 11008.7 16267.04 14140.35 17984.62 7963.63 22831.85 18307.83 17976.26 30239.03 14964.78 15740.07 11876.28 13879.66 20838.07 19151.82 8559.79 11965.18 25111.82 13188.25 14486.71 10698.2 27943.53 25382.76 24040.12 6892.6 28236.71 17371.2 20351.01 23074.74 26367.39 19123.16 23162.21 25778.34 19588.71 16634.3 20984.18 17741.9 18389.17 16457.75 15767.39 16720.59 16185.07 11965.9 7434.35 11531.92 10752.91 11990.35 12265.3 9936.33 16799.13 16326.36 16301.58 30170.9 20813.87 29249.7 22897.72 28622.7 24185.16 31465.65 21660.56 22294.44 22861.29 22128.1 21000.18 21527.62 24859.94 20978.1 21502.91 Ajmalicine 6456.52 7516.52 43601.84 53321.56 11615.35 26269.09 50383.85 8546.01 12763.42 27858.03 58517.05 46306.37 57537.84 40073.68 15128.72 55279.29 35160.02 4922.45 47300.37 5679.18 6314.59 18251.27 46295.22 36267.83 9468.67 10515.05 26204.95 27044 7663.93 16137.51 3377.97 39762.39 3663.61 39072.68 35553.2 5365.28 13266.81 6335.35 38557.33 20285.6 15634.65 12575.46 53990.94 41436.8 8516.86 65544.75 11174.04 42214.5 21668.12 32404.11 7243.45 15912.53 53677.8 52471.34 5447.17 14960.73 35630.47 39777.9 5405.63 20888.06 72509.49 53200.31 16459.68 60226.46 46663.55 13974.69 9277.03 39810.57 36079.79 8586.65 9184.75 38599.62 40223.5 54814.55 57404.43 22100.86 23854.05 19906.67 23325.87 22665.64 22347.11 23252.76 23068.9 23421.48 Licoisoflavone A 726.43 1350.67 4462.8 6262.45 1218.98 846.49 1573.35 1546.57 3069.55 16767.18 10168.8 363.11 1937.01 1395.35 2853.1 26029.48 66095.48 828.44 621.17 2613.86 3838.07 2545.4 5417.75 773.56 5345.47 1542.17 1680.44 4798.98 586.91 3301.79 4727.93 4263.4 2996.56 5111.51 6787.17 3264.66 4275.03 2708.15 6660.27 3168.35 2364.79 3803.84 429.91 1775.14 2079.16 3929.97 12944.75 5742.46 2189.18 22456.65 12165.62 2616.93 6162.52 6849.65 1593.41 3834.03 10798.33 4765.58 3973.91 1107.4 2604.29 918.02 1146.48 925.26 586.12 1994.09 1781.3 1892.07 5693.05 896.84 1991.2 1545.88 991.47 1629.25 544.87 3183.11 3674.15 3461.54 3338.88 3707.94 3630.15 3453.75 4154.57 3476.57 Met-Tyr 3475.88 4458.65 765.79 1458.53 4084.23 36635.73 28947.18 3652.02 3173.02 21435.07 6052.05 2903.34 2620.54 4441.6 4548.09 5539.98 3503.72 11046.14 4423.34 21155.1 1295.83 8418.57 11182.12 2522.22 916.41 2881.43 4243.54 3388.72 2319 2190.52 3151.41 5161.28 1007.23 11577.4 2625.31 797.46 339.13 3006.01 13815.84 2136.66 10463.43 4722.53 641.05 1031.84 11015.07 4010.64 5982.43 1271.19 2556.91 7591.15 1571.63 5660.14 2030.38 3026.24 2879.52 6401.67 1199.09 1294.51 2297.09 10845.6 1875.31 2630.81 1785.65 1801.86 6424.38 3859.72 12054.36 1948.53 1790.84 806.09 4997.08 7831.91 1103.59 16222.58 1986.9 9641.27 9193.86 8514.01 8906.01 9703.1 10838.22 9776.7 9878.39 8454.7 8-Desoxygartanin 2593.45 2471.08 2526.08 7824.2 4376.17 8247.06 5886.34 2465.75 1488.29 3767.76 2585.89 2979.21 6639.52 5102.66 2570.31 5411.92 7343.45 6031.69 5508.41 4245.33 890.2 1845.59 1360.2 1551.97 453.79 510.44 1051.79 1393.36 2183.17 1775.89 2024.36 1432.43 728.88 1172.16 2382.17 432.82 676.73 603.76 991.99 1248.67 1742.51 1615.26 2197.02 1909.89 5628.62 3772.46 1593.33 502.82 639.85 9315.73 1698.35 2615.24 2138.91 3172.52 2992.37 2305.39 2893.56 3464.43 632 2020.17 2364.21 2402.99 4957.61 2409.81 674.12 4924.84 3628.5 1968.68 1356.48 1345.61 526.68 2607.62 2886.6 3834.64 3696.59 3389.8 3308.2 3303.84 3385.19 3395.22 3382.31 3362.99 3306.94 3303.97 Apimaysin 63435.14 474.09 1083.93 1351.26 14890.96 1127.92 4973.59 77199.59 79587.11 7484.5 7856.55 30821.66 1500.07 4971.2 39631.59 21462.17 7161.12 44532.29 433.65 118917.91 40790.24 573.83 547.52 1195.01 38943.59 13511.52 1985.31 6902.03 58830.94 34572.51 56745.35 15993.27 11866.38 1015.26 1666.79 39087.16 27929.89 910.73 3276.24 4294.42 58802.77 55344.37 3027.47 581.88 60320.69 2611.49 112640 11364.34 558.93 743.81 17232.59 519.12 643.51 644.65 34692.43 6194.2 461.93 742.11 29109.04 3720.75 1668.62 2072.08 9978.12 427.46 17389.59 41750.21 22368.71 12597.26 409.56 66491.96 60917.04 12166.33 12656.91 4602.03 6009.56 6304.53 4363.98 6298.45 3434.28 4610.78 3530.14 5212.72 4013.22 5897.38 6827.13 3534.35 1711.94 2940.01 3182.71 2368.08 5116.99 4380.05 5018.51 4398.59 8294.04 11211.48 6369.22 10340.25 6579.72 15125.09 16987.55 17468.9 17008 17175.86 17152 16989.76 17134.76 16464.4 17151.8 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid 1390.65 895.04 1155.17 3829.44 3185.55 2500.39 5874.5 397.52 856.65 6633.6 2428.47 1495.39 6405.66 2455.52 381.62 2854.46 1021.69 1730.5 4174.62 1757 1033.83 753.77 909.29 1031.85 322.34 1121.09 815.4 1118.46 9954.44 938.54 197.54 1141.31 754.95 884.13 963.72 1237.12 520.21 587.27 1119.14 506.29 1793.34 2159.42 2276.57 1140.13 568.34 23413.94 2096.42 2359.7 5539.45 2185.15 2309.64 1516.97 1196.85 5976.27 1502.26 903.76 1797.05 1389.3 658.74 1476.04 621.82 1674.98 901.48 1786.03 2235.14 993.4 1194.98 16487.43 1842.56 1137.96 667.15 2597.89 1902.7 4828.88 6457.09 4227.69 4278.87 3978.8 3944.19 4055.58 4223.64 3902.56 3905.82 4246.3 Nabilone 36254.54 11594.68 10276.46 5782.01 1586.86 11442.63 15267.55 16121.61 6238.28 23133.07 19176.67 20448.98 32039.48 20359.49 21010.73 3500.66 3151.29 12071.3 26806.48 11720.81 4249.98 21443.84 10834.54 13062.03 19884.82 35073.08 23287.11 15521.44 9779.6 5860.97 20390.44 38367.96 7987.82 6461.33 8395.8 4977.63 17948.37 3841.59 13504.91 15930.72 16811.23 24005.15 13052.67 15212.74 17534.41 7290.16 21824.86 6292.18 12199.73 21239.02 15694.61 3302.72 15348.67 6930.12 4851.6 15773.32 18695.83 11992.39 16249.66 37913.83 20937.79 34876.19 4908.34 10406.66 11264.43 19639.96 29188.62 9823.64 17950.13 14248.33 39461.65 36147.58 21667.43 11157.63 13930.25 11899.21 11019.34 11299.54 11210.19 11922.27 11914.59 12194.68 11919.56 8556.58 5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide 724.52 926.89 726.58 1639.53 802.89 4458.2 702.3 1942 1700.57 654.38 492.6 1842.71 628.91 1108.71 2723.49 1303.28 1640.95 565.4 909.42 2537.3 1488.73 3548.27 1416.42 1593.49 927.47 536.83 1424.07 1256.98 937.09 1359.56 705.72 1014.39 3212.04 1349 567.8 1043.77 1333.64 826.38 1214.13 1421.18 766.89 1414.42 1292.36 1166.74 631.75 969.28 1365.6 1945.29 1162.03 908.24 1062.72 2240.55 1538.94 1346.14 527.35 2719.86 2861.48 1363.74 918.53 1636.59 1334.29 1571.83 1287.11 2108.95 710.48 625.91 1369.2 544.78 1190.69 2193.11 5528.66 2238.54 659.89 922.77 1505.53 4286.16 5804.13 6078.3 4018.34 3305.02 3259.98 8343.46 4860.81 5257.4 5825.22 6814.51 3414.3 8839.61 6025.02 7918.97 4251.77 7259.72 3814.59 11528.23 9048.73 11504.05 5674.65 4516.28 6630.85 9296.12 1362.43 1280.94 1524.85 1433.45 983.6 1333.36 1341.13 1389.25 1339.09 Fissinolide 16436.33 13979.57 2848.44 7575.18 27050.06 49054.61 21682.82 28798.87 34254.35 22124.74 21869.01 22174.84 28538.49 23140.75 25287.45 19719.86 17292.82 23246.41 12548.8 25928.64 16373.03 11528.93 6255.67 10388.87 13162.89 17473.78 4694.41 14176.23 18847.18 3561.97 15126.17 9480.57 4210.84 4692.73 7171.84 16923.03 29760.25 5336.68 13287.02 8398.71 9799.04 22905.71 13040.71 15565.53 24370.97 14295.9 7835.18 7708.76 10348.47 13325.74 23973.89 18704.19 14981.66 14723.29 26800.69 12448.65 1366.11 3876.5 23406.62 8311.02 12883.3 4135.95 21794.97 14259.94 14883.3 25016.01 26858.34 13641.85 18998.39 36537.32 28405.98 12433.7 11785.55 21280.18 31099.16 23457.92 25074.26 23646.88 23674.48 22803.05 22458.9 22789.17 23746 20927.68 (2E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one 6217.88 6664.32 11563.07 16494.17 12196.14 10658.55 19712.87 11507.46 11291.66 13473.36 22996.28 24678.36 24504.6 19797.1 13490.73 22769.94 27835.84 11279.38 27177.13 17265.55 9855.08 6418.04 14153.85 13329.34 9028.58 6150.06 11313.7 14046.14 10052.53 18145.44 9977.47 18298.94 6796.05 12226.79 12002.59 10797.67 9623.61 3059.69 16085.86 9381.09 15388.3 11873.21 20890.53 20614.79 14525.78 22358.46 15115.49 16154.56 12817.21 29003.35 8921.39 8548.21 19269.71 23101.34 9252.71 5843.01 9474.43 9880.27 9438.97 5712.51 17121.33 15557.98 11326.94 22238.03 21637.1 9553.65 8511.99 25554.69 21615.9 10450.89 12661.56 21526.23 18207.78 23885.48 25301.72 17893.57 18297.68 17713.33 17946.92 18310.99 17994 19204.51 18484.92 18054.37 JWH 200 2'-naphthyl isomer 10618.55 11874.71 12767.6 22347.51 7889.72 25418.57 30103.07 14514.2 27793.99 18674.57 38036.91 29838.74 17321.92 18561.27 23313.19 41977.85 30280.07 9403.08 35772.42 16533.08 8979.24 11587.01 10618.66 14999.04 10775.22 13729.52 11086.04 12316.24 12625.54 12338.01 9676.08 25645.14 1586.38 12283.57 15639.2 8701.5 8876.1 4758.37 18187.05 12144.82 4279.63 7414.92 26675.41 22096.39 19018.11 26350.43 23836.18 30717.37 11149.57 36438.9 5965.91 16260.25 21585.02 21305.8 14875.49 10230.51 17799.77 20869.51 25579.17 19310.28 24543.82 16651.79 15769.82 37394.58 34932.16 16266.82 20706.96 23494.18 27227.43 20930.36 21173.16 30523.85 32904.99 35313.47 34787.47 25752.04 25863.68 24508.17 25482.57 25477.41 25881.44 26854.82 25584.63 25629.57 7-Keto-dehydroepiandrosterone 11217.97 8690.08 15524.88 15308.73 13016.35 7617.94 23035.56 14113.46 9776.97 15676.32 12962.73 25380.42 27900.34 17984.79 9542.14 14854.11 10848.47 14208.47 24669.48 6781.44 10639.28 3459.49 23849.85 17358.32 19130.38 6835.41 16701.46 22258.56 9042.8 7302.85 8442.74 15667.96 7753.93 21565.37 16589.45 18982.87 10433.12 5576.78 18270.63 18530.04 3018.86 9758.61 18611 11408.86 10914.06 23291.86 9159.68 15756.91 31089.32 14292.67 22126.48 11202.92 25574.38 25522.37 15554.15 7119.2 4301.82 11062.79 7653.67 12426.37 11529.97 17609.36 10252.37 17160.11 14596.87 15131.94 5073.85 15564.62 13878.77 12030.43 7043.51 9836.98 10351.34 15772.12 14358.95 12477.31 12431.71 12332.86 11977.76 12334.14 12471.75 12474.29 12355 12750.73 Ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate 72001.86 12911.39 516.61 1162.7 52521.87 12104.97 5674.12 100035.33 94467.82 28014.56 8197.26 20987.5 763.23 4314.26 36257.86 16579.42 6992.45 43217.38 23118.06 98422.36 43482.69 2385.78 1683.08 1521.24 38508.21 11503.46 2429.32 10331.83 48389.98 11635.21 43167.44 22083.05 14784.96 647.13 368.51 28843.76 30504.68 917.91 6941.95 2925.97 64810.68 79631.82 3080.89 6843.82 51485.22 6317.14 86911.09 11519.33 20035.97 39585.54 10508.08 9753.47 3806.93 3326.24 31285.84 9285.84 2164.43 3660.12 48353.3 1003.08 6219.55 7294.03 9535.69 1090.65 14628.46 41436.51 39068.2 12909.6 17777.33 60311.03 64616.76 15878.51 21361.78 2512.36 2908.82 27091.08 26753.12 26738.45 26737.64 27088.3 27074.1 26735.63 25949.73 26844.05 Proanthocyanidin A2 16224.86 12441.13 1001.41 3205.17 2938.88 3901.44 563.12 24647.27 23819.92 3464.96 4205.07 2240.93 2612.64 4923.87 24224.23 12536.71 7580.76 26354.91 14438.54 37764.12 12926.01 1144.64 799.11 703.84 9656.04 9921.31 2356.31 2023.01 19550.76 3170.49 18080.37 7753.81 14520.44 1095.14 963.33 8610.62 14687.37 759.25 1076.05 4021.67 14741.62 10161.53 1840.25 2435.18 23006.56 878.47 31735 11948.32 5130.64 16832.5 7434.91 4076.25 1940.39 1031.52 11390.48 9353.84 1191.91 530.94 15629.35 2755.03 2719.03 707.64 10204.76 6614.58 14304.41 1946.03 10523.33 6653.62 15010.58 21296.06 30970.21 10919.85 17878.86 4361.97 2908.77 13292.04 13984.32 13434.26 13700.86 13266.96 13501.32 14108.77 13299.08 12764.02 Neohesperidin dihydrochalcone 4054.45 4413.84 1973.59 3805.34 5774.23 5657.72 5223.03 3889.91 5915.85 7258.18 7271.96 3302.23 1000.85 5145.77 8060.9 11336.84 7676.82 5178.57 9612.2 7566.94 4911.4 1142.2 2108.61 1693.35 3096.94 5249.36 4146.77 8597.72 9002.69 6400.53 4888.41 5767.61 4638.67 2697.07 3269.24 3809.84 7879.84 469.1 12992.91 2988.6 7854.59 9232.8 4069.54 6613.84 4318.23 7800.41 5973.63 3723.9 7755.51 12350.2 2237.83 1146.77 3428.14 6015.38 1533.73 1599.63 344.05 1254.83 9159.91 591.08 3894.98 1354.02 834.77 2825.27 4969.79 4687.98 9064.14 9518.2 9173.22 9217.23 3557.08 15204.99 13617.39 1269.48 3731.78 8808.26 8532.77 8488.75 8835.93 8659.78 8488.4 8324.67 8699.88 8931.5 Lunarine 4216.69 4732 11686.5 5350.22 6546.84 5711.09 7324.79 4617.32 4982.91 7049.51 13439.87 3542.31 2719.94 3862.44 6675.23 66399.62 55242.49 4519.86 5719.68 852.06 5621.92 5002.48 3498.63 3261.48 4457.23 4877.74 5477.79 5333.04 1070.59 3310.51 2020.54 652.54 6523.73 7901.64 6467.4 4577.33 4779.93 2995.55 5011.31 5368.24 4777.44 5898.75 6498.62 9368 5720.21 7090.17 6922.98 3441.4 3456.87 3931.24 12712.28 5856.76 11037.13 14751.7 10214.8 6400.6 10979.81 4757.07 7231.35 6824.77 21783.84 5422.28 7801.39 5539.74 3878.18 7517.01 5325.06 7649.61 5604.14 5808.83 4069.41 7768.02 4751.59 7712.17 4762.79 5946.45 5981.5 5912.07 6304.25 6161.61 6255.82 5139.87 5949.19 5943.29 5-Methyltetrahydrofolic acid 356 209.16 311.81 3077.61 3634.17 8338.24 6183.31 720.84 173.04 540.61 1274.21 970.25 2312.19 740.51 230.89 960.2 1631.62 857.05 1480.59 603.04 534.87 374.74 920.4 1372.34 377.9 171.98 532.34 625.99 6222.76 793.18 349.63 942.7 550.67 2065.14 1218.19 339.93 517.85 280.39 1478.74 780.21 3818.95 445.54 1115.2 858.15 892.61 1918.24 433.85 951.74 5041.71 2288.01 4550.6 1733.04 3371.26 974.64 750.69 831.12 118.18 746.97 825.52 1598.49 289.52 3228.21 703.96 1463.87 176.77 2932.84 1558.87 5229 800.07 183.63 655.5 1190.06 307.17 1466.59 1285.04 3419.43 2846.6 3772.01 3192.56 3090.44 3774.47 5008.63 3837.17 3595.58 2799.14 3486.09 3893.85 3186.1 3426.79 3495.76 4482.31 3729.32 3939.52 3614.96 3768.47 3583.98 3635.17 4289.49 5159.27 2620.2 3250.51 3620.15 2745.75 3146.12 4391.1 3179.27 3557.33 3585.84 3567.79 Morphine N-oxide 9807.39 3707.43 1298.75 748.62 12154.45 6321.89 3529.36 9083.6 10510.13 3333.32 4120.19 8214.76 4074.02 1433.22 2478.06 6623.19 2258.13 8869.11 1380.86 7608.96 9585.08 1264.47 3866.24 1357.63 8714.92 1416.33 2190.27 616.35 15883.67 6905.22 1803.23 6387.66 5789.17 564.3 442.67 7833.83 10402.09 1111.47 2848.34 2071.32 4680.97 10047.35 1004.6 1118.89 14001.88 5060.84 12095.3 2778.41 7937.56 19304.64 3033.61 4542.67 2023.25 2816.63 12378.27 1404.92 678.12 875.16 10274.82 4617.02 760.86 2635.19 4376.45 2325.97 8061.71 14366.49 5496.29 4129.43 3894.79 6797.94 3702.55 4992.59 4406.04 1936.74 4282.18 4920.49 6652.07 6296.82 6234.45 6404.19 7150.86 6697.11 6194.24 6771.43 6-Ketoestriol 1780.82 3004.96 2239.29 3206.81 5557.54 4012.52 5909.88 1296.69 4992.35 5152.04 5962.78 5004.38 5385.21 3787.15 5999.81 6139.18 4690.67 4018.63 2861.13 2121.87 2221.19 1693.28 4348.28 3635.37 3544.73 2643.7 1967.3 4177.97 3723.84 3716.68 624.61 2912.83 848.84 2453.04 4296.77 2145.72 2748.37 2761.47 4059.59 3296.18 3620.41 1859.99 6164.31 7011.17 2296.65 3687.86 2944.14 1116.61 4089.37 3382.74 3228.5 2210.8 6870.46 5437.45 2509.36 10260.88 3491.5 4333.29 2127.34 9157.28 6829.08 7870.18 3281.87 3547.6 6750.86 1417.44 8441.22 2763.93 5605.19 2705.08 5156.05 5761.44 5101.4 2928.13 4231 4712.36 2155.95 4318.48 4384.1 4771.69 4626.54 4754.24 5026.88 4735.54 Glycyl-H 1152 dihydrochloride 4972.56 7825.44 432.16 3687.63 3142.67 3562.03 3719.77 2943.57 4060.47 3040.36 6373.81 7943.99 4499.34 7200.47 3798.44 5628.73 2292.78 1946.38 4586.24 6034.38 3171.38 798.16 3723.16 3198.29 1733.19 3092.62 1035.49 1681.62 3421.49 4287.43 2868.83 2835.6 1708.76 1028.86 1918.19 2877.83 2611.11 802.49 3117.51 1279.51 5690.21 3964.14 1389.37 3898.91 5815.43 5910.8 2585.59 1437.95 2878.56 8767.29 3218.32 1936.06 3953.41 3490.37 3575.1 7576.15 1357.18 997.22 3370.72 2294.6 1566.77 2888.65 1756.74 2450.15 8684.8 2225.88 5871.06 5258.94 1968.99 5166.45 4742.88 4580.18 8262.11 6336.85 4238.86 4285.13 4802.13 4700.21 4367.61 4459.43 4695.02 4768.56 3864.05 4354.34 Phlorin 29466.91 27136.84 56992.46 29350.28 13637.56 12859.49 13602.51 18506.42 7195.8 36322.03 14511.71 30174.14 16217.47 28075.58 21742.38 17241.77 46277.98 26014.98 10700.15 12583.93 25684.04 3015.27 36191.93 30542.28 35502.29 20585.77 25094.49 18860.77 30525.58 1616.57 17478.93 7153.51 29085.23 32020.9 32164.32 35841.84 34639.33 15462.65 49239.76 39164.26 1706.89 3777.1 34900.93 24771.25 18505.19 14426.87 25040.37 33860.51 17998.27 14890.81 30191.44 27597.02 31429.25 32575.47 41965.74 34284.5 33681.31 38447.32 9468.65 26788.32 33397.7 29561.14 26767.11 32890.39 33920.33 20508.29 4607.52 30145.25 43825.43 26342.72 10239.91 29923.31 24616.39 45158.68 30598.23 24813.54 23146.33 25574.44 24063.47 23067.23 21411.88 26287.43 23636.4 25159.67 Asp-Asp 7692.2 11942 2066.47 25820.58 7714.04 9860.06 13473.22 6807.1 6666.5 11451.45 6365.64 9632.23 12245.11 15311.2 9989.06 9466.38 18760.33 15519.05 13362.41 9117.59 1848.33 1618.01 898.62 2538.11 619.23 1052.3 2440.14 2441.79 3840.67 3952.1 6131.05 8769.68 2279.65 2090.15 3899.57 817.25 664.1 754.43 3048.93 585.35 5340.52 4227.15 2364.56 5459.94 7380.56 7369.67 3435.15 3641.76 3454.41 3526.36 5191.98 7520.35 4515.35 3991.58 4165.51 6002.72 2639.38 4489.26 3661.86 4809.97 3883 3842.31 5095.33 5938.96 5231.01 6790.3 11014.9 6201.09 6186.06 2935.29 5472.62 4154.26 2952.63 9150.88 4133.44 6376.87 6372.82 6920.48 6640.92 6562.55 6631.2 6622.63 6403.42 6517.96 Kyotorphin 8849.46 11989.59 8148.29 9844.08 17468.28 21485.61 14146.38 23325.72 28940.52 19993.77 38143.85 19706.83 18243.95 19543.6 20023.99 22133.72 31308.66 19899.15 30641.62 15274.59 17378.07 11070.58 11059.82 14282.02 13397.82 9455.01 7865.97 8507.73 11700.29 9203.43 7033.54 19303.66 13112.71 6653.82 12453.31 11716.6 16443.79 3268.04 12043.47 9190.05 23636.6 25133.76 20811.18 18918.52 19729.67 12439.95 19602.05 26847.41 9540.42 32890.21 12477.77 16689.97 20641.71 15381.36 13578.01 21137.91 10092.03 3657.33 21092.03 9317.45 14888.17 19185.76 10284.9 22917.07 19781.27 25850.63 51587 19422.56 10599.92 21040.7 17123.7 23483.12 13849.66 15194.49 21755.33 19015.22 19211.16 14776.12 18363.29 19052.2 17328.98 19013.06 19072.71 18548.89 1-(2-Hydroxy-4-methoxyphenyl)-3-phenylpropan-1-one 12515.84 16101.73 11076.05 20837.77 12356.71 12775.73 17467.9 14207.16 13440.11 17451.39 13622.67 14369.79 15315.58 14361.61 11488.57 16544.49 16365.22 14350.08 15671.83 9928.1 8837.31 8542.6 9989.85 10538.1 12477.52 9022.71 8902.78 7750.56 10308.26 15292.15 7535.95 11032.14 9613.45 11231.95 10146.9 10228.27 10515.03 5971.86 12700.87 10272.26 15537.4 10333.68 12186.43 20170.29 13053.89 15707.69 15931.29 10469.24 8795.87 12539.63 10308.34 14639.27 12759.58 12411.97 14256.67 11421.38 11744.99 13209.89 16633.34 18440.1 20614.64 15191.92 13059.36 15684.72 16348.04 12031.9 13284.02 15852.63 14744.5 16383.51 15864.75 17610.8 13182.32 17813.47 14700.4 13650.49 13673.12 13451.19 13672.43 13447.01 14003.68 13437.85 12811.52 13455.32 3-Acetyl-11-keto-beta-boswellic acid 1488.02 1162.57 945.44 939.53 1054.1 1177.88 875.02 731.01 730.04 748.87 1726.91 847.44 1549.36 1270.43 339.56 1342.91 431.52 395.29 815.04 1210.12 628.45 1878.9 1226.95 786.96 457.89 398.45 1064.06 606.67 903.24 1590.12 1801.87 930.06 1264.29 838.35 1363.33 791.08 546.49 1170.51 761.83 977.78 378.9 1835.78 701.78 802.02 750.2 596.33 772.84 598.09 708.19 625.79 733.91 715.2 504.52 454.35 560.01 937.47 1622.17 476.3 903.79 971.88 1120.22 814.64 1608.54 466.27 1316.61 848.43 1099.88 472.45 1120.9 819.82 1352.16 563.24 1181.06 432.16 668.83 26248.39 27831.15 28036.44 27161.71 27019.44 28544.81 26477.03 27059.51 27388.84 27513.33 45572.67 26395.56 28844.95 28984.38 28912.06 62711.31 28550.52 26221.66 28732.95 29581.56 28694.01 29312.83 27830.69 28524.27 27444.06 1139 1141.47 1020.07 1065.14 855.88 1156.94 1068.14 1143.23 1141.04 Ac-DEVD-CHO 10127.08 2000.45 1529.32 1255.05 770.16 2933.71 2091.89 5980.73 6798.81 515.14 2228.87 3287.62 2490.4 659.83 5735.99 1628.31 414.79 8649.39 3630.86 438.67 6981.12 4182.76 1310.65 1469.42 4305.73 1619.35 725.89 1447.53 1966.95 5839.5 1032.27 1141.95 4138.03 1021.26 545.26 1770 2221.81 768.06 2132.23 867.62 774.85 940.11 1542.37 712.61 3147.18 2420.33 17253.08 5843.36 7793.75 7349.65 2812.91 861.28 1515.56 1608.72 2766.05 1258.54 1284 1319.72 2772.73 997.59 1426.14 2539.96 5081.68 2721.61 8725.37 3122.19 2560.93 4141.89 8297.79 2037.2 11564.78 3690.38 5068.03 1368.59 2063.65 2771.52 2590.84 2723.54 2650.78 2601.63 2624.72 2555.55 1803.43 2891.91 4-Hydroxyphenylacetylglycine 35112.29 29107.01 41681.03 59768.08 24992.52 21225.53 53572.2 28277.38 22103.16 18800.18 24482.46 33174.15 26584.89 30342.86 41411.41 34905.05 26064.38 52498.02 13799.72 23710.24 22137.15 1937.46 27131.96 22831.32 20667.35 7542.74 11516.17 8736.42 16837.61 21328.18 22188.41 6041.16 17352.42 17582.83 16723.65 17614.76 31464.31 4224.39 42343 33476.96 19109.47 6874.07 28888.38 24998.71 22091.86 51415.17 42295.53 37667.27 7287.31 15932.79 14184.6 42449.6 30462.34 32166.06 43522.95 33515.09 41268.79 35564.36 29188.93 21872.5 40427.91 79954 36720.79 46163.31 25888.18 49764.56 12990.45 23902.37 34553.02 35223.73 29295.18 24433.17 46885.36 48418.76 94143.94 33255.45 33680.15 33640.73 33229.67 33859.79 33689.87 32911.95 32857.74 35203.04 Androsterone glucuronide 50018.8 21900.3 24706.75 24621.61 2749.81 2427.87 9455.96 16260.57 10972.3 21232.89 21138.69 11766.83 9708.73 8931.17 25290.98 3782.21 44590.65 2122.1 8906.82 10129.33 25793.1 27965.18 15315.12 18490.01 20257.84 35769.84 25472.96 40449.91 27199.61 27665.89 29741.81 27617.52 38642.41 31942.08 20536.76 18944.79 24653.38 16625.13 30521.92 35985.21 2712.28 11894.16 14903.23 31967.55 7134.85 11421.24 8514.13 18894.08 10089.35 12707.93 35102.71 25953.69 26994.03 31119 12280.98 19863.88 33264.13 49560.13 17124.93 23571.83 20652.08 19781.84 12040.18 24758.95 31715.67 14359.29 13733.51 26898.99 22180.64 6330.15 14632.64 22472.85 29756.52 27436.85 11140.48 2105.64 1236.15 3169.13 5004.23 4617.48 1671.73 3525.61 762.03 1464.63 5039.03 2907.26 572.62 5691.0 1057.35 1890.65 3155.09 6529.12 2015.53 2667.28 3271.38 4619.39 1165.61 2055.1 2413.54 11307.35 11092.7 11058.86 10939.4 11381.62 9953.88 13493.59 11215.82 10203.44 Ethofumesate 5654.51 5859.74 6790.07 9911.15 5071.95 6223.71 9820.91 9172.34 8064.1 12208.92 15086.81 16607.67 5401.81 11965.49 9039.6 19600.07 17692.7 13767.04 22165.64 14457.86 2197.25 1308.14 3179.3 9725.18 6904.99 1799.8 6730.05 2358.05 8523.62 4043.82 9986.07 11102.59 6095.09 2027.83 8549.58 6457.05 8996.42 1232.76 1727.65 7273.07 10076.32 8247.31 13266.1 7018.43 11470.04 2652.98 13603.65 14131.73 4710.5 19341.2 3397.72 7064.99 8794.09 10441.79 3596.82 9851.94 9533.1 10050.43 7812.53 6293.46 14322.71 5814.76 4580.29 19308.46 17067.67 9959.2 11053.34 11138.28 17024.62 6561.11 11480.28 17188.97 15670.71 19407.2 5544.61 9539.76 10157.81 10239.87 10512.06 9526.06 10364.66 9322.65 9663.77 10233.53 Lacto-N-tetraose 1394.26 1099.3 533.04 1069.3 1218.33 1201.18 500.63 2019.98 1310.47 1597.75 1735.46 714.66 1398.55 946.64 831.87 923.92 382.4 1099.66 966.15 3069.42 1183.26 1887.49 688.56 804.06 1184.65 1122.43 1239.35 509.57 483.75 1059.68 1319.62 700.39 775.39 354.2 1119.65 594.48 1211.41 531.91 969.29 1391.71 1166.73 1333.17 565.1 1366.05 3099.6 1681.52 1217.12 802.91 778.13 1312.39 444.26 647.94 1040 585.69 1019.09 432.6 1049.31 1757.6 2214.09 1130.82 1018.57 757.48 752.82 884.9 374.81 473.26 1964.53 1526.4 1278.87 481.81 319.05 977.78 2338.26 487.54 943.92 12868.71 15656.11 7701.33 13465.19 3091.86 7548.0 14502.16 16354.42 10686.99 11049.77 10491.89 13854.36 5173.18 11505.6 10677.17 7782.7 10604.07 14393.47 8706.5 12408.57 13072.29 14807.22 1503.85 1568.84 1521.99 1702.18 1298.62 1568.37 1517.14 1447.58 1556.56 2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside 544.39 4817.62 4274.4 3877.25 4991.65 33551.05 13104.66 5814.4 2228.59 5358.58 9990.41 8424.35 13323.44 9988.14 1442.6 9725.33 4917.59 4355.05 9184.88 9576.7 387.43 14843.28 13031.47 4776.75 442.18 2923.34 2290.02 1420.77 2182.57 1758.47 3067.49 7987.35 987.4 11406.06 2923.4 1149.39 974.55 4112.42 2549.2 690.1 3482.88 3971.16 7474.46 6209.38 3651.67 9936.49 6127.77 13541.57 3315.77 10139.82 959.48 6414.08 7050.86 6213.12 600.46 2954.78 3633.36 5130.42 2071.66 47560.83 5826.75 43438.54 2405.49 8286.85 8089.34 1276.65 4482.26 4435.44 3185.43 3944.61 5068.31 7546.33 2951.1 12753.27 5893.47 6899.59 7293.11 6296.28 6999.59 7014.32 7305.39 7310.25 7170.72 7220.03 Combretastatin A4 32494.3 24867.65 16754.65 21318.32 34667.91 78013.53 19644.09 38832.67 52639.33 31280.03 23133.57 29681.06 32178.67 20572.93 46992.65 25537.9 23149.46 45443.95 34884.93 51941.63 31113.36 22214.18 23358.27 30160.79 30686.93 28923.88 13859.11 22430.78 44028.13 20440.13 36911.87 15038.55 30484.28 25393.59 17505.67 32541.16 28741.49 13443.07 24872.48 11576.2 47989.21 33992.91 10115.89 24001.92 42694.79 18925.84 54600.19 7866.09 31319.31 53949.45 25031.12 34907.1 20216.94 31887.37 36795.57 30106.9 9868.46 21522.16 25203.87 16440.73 33415.76 10795.23 34456.77 21846.84 41165.88 40081.44 30229.38 31248.9 28454.71 38885.98 52570.98 38246.53 42532.44 7997.99 24656.5 40404.51 40348.46 40280.92 41319.28 41306.86 41334.87 41520.25 40393.39 39208.76 Foramsulfuron 41678.21 75149.54 20666.29 50293.75 29057.92 42805.18 19071.6 27732.25 29894.24 25239.23 19816.18 38761.58 67148.17 77856.25 50658.11 41157.67 39124.45 98728.53 57892.12 54346.12 24150.83 20737.25 11657.18 19728.65 13690.9 18395.33 7931.84 15763.35 34760.37 28196.34 58675.79 92254.21 21002.04 23478.74 18480.11 21870.23 12549.77 9339.78 13338.03 9693.29 69988.8 61560.47 24340.55 37241.19 110007.11 53736.8 46716.7 26673.6 35523.19 117214.38 48297.26 88701.97 31685.41 45757.39 33866.42 56505.3 14956.56 21562.46 22867.81 29975.23 16261.79 8074.68 44686.33 18458.13 32489.34 58627.08 150396.05 33151.21 33456.7 17342.76 24220.5 17779.25 18004.87 30899.83 20538.91 42184.64 42070.15 40666.67 42223.71 42172.84 41278.73 43342.08 40310.23 42212.79 Benzyl beta-D-Arabinopyranoside 8405.24 13236.27 1995.6 5638.94 2442.79 7672.76 5154.56 10605.79 8459.9 5078.94 5032.42 7091.89 8600.63 10352.34 18551.18 7477.09 8266.25 15970.01 10411.81 9505.94 14292.78 6409.71 625.93 10787.27 14569.48 8270.75 9135.31 4285.44 8784.18 5110.51 14138.38 9577.65 2138.57 851.62 6244.07 13783.09 14354.29 788.61 2602.68 9472.96 15088.43 16923.59 10120.89 9320.84 8751.76 6917.04 17439.01 13564.82 2933.68 7415.76 2006.96 4355.32 5088.53 7763.74 19713.8 14133.02 3652.98 10019.53 9679.22 8790.32 11300.12 3230.47 10419.03 5486.66 9976.58 15992.48 3877.05 9481.03 24928.83 14410.43 4382.5 12252.77 6562.92 6787.54 8593.41 19803.14 17330.07 20469.2 18738.14 26460.99 20195.7 19808.61 16359.82 18971.64 15591.9 23031.8 11758.63 17107.52 12844.41 12509.46 17098.24 18443.65 16591.65 25200.82 21410.11 23654.06 29250.07 29496.51 36916.98 35025.31 8501.2 8375.12 8696.64 8692.35 8477.56 9080.06 8500.77 8502.94 8693.21 2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid 2098.17 2326.34 2603.93 7282.2 12658.14 14972.82 17016 4103.27 1514.58 2151.9 1394.11 1395.84 11388.92 1579.61 8344.63 18569.24 10161.28 2102.1 2265.48 531.53 1700.27 1391.97 725.71 1222.9 1446.78 910.06 843.7 720.7 1506.6 509.72 971.95 879.94 1430.59 1663.37 766.28 2322.06 2907.92 602.08 3438.07 586.58 6198.35 2632.85 1439.88 3173.43 3490.93 8257.11 3668.32 3387.59 954.97 7093.41 2036.84 3224.58 1332.95 6053.76 3013.27 2376.89 1957.55 2196.37 2187.32 6099.08 4119.24 6157.82 3215.9 5694.24 2963.12 4272.45 4294.72 986.81 2271.51 3068.34 1713.7 2376.29 5773.16 10039.07 7999.07 8587.47 8740.15 8809.65 8590.38 8596.69 8678.15 8566.51 8348.85 8661.96 Gibberellin A29 3783.49 1532.82 1218.17 1266.67 4511.36 2626.96 1322.59 5206.31 4878.45 1171.84 1580.05 2326.55 1571.88 3211.62 3839.16 789.71 753.25 2899.39 1956.85 5078.27 2221.44 1837.66 2027.29 1611.45 3353.41 1561.3 1276.75 1758.31 2621.49 1517.75 3288.1 795.39 1797.28 1119.78 595.75 2923.73 1762.51 1154.93 2075.39 1050.63 5212.5 2801.16 1212.58 1186.43 3650.21 1272.15 3536.52 660.7 1112.15 913.73 2011.52 1237.66 1215.51 2949.17 2674.65 4060.47 993.68 457.45 1306.99 5815.27 1146.46 1121.27 3078.85 696.83 1263.76 1154.62 5630.06 2364.94 2166.13 1662.42 1933.89 2395.99 651.09 914.7 1518.2 2352.95 2798.68 2352.33 2356.72 2178.1 2163.58 2246.87 2136.3 2336.25 8-Demethyl-8-(dimethylamino)riboflavin 2135.66 1651.39 693.29 1447.96 865.06 16125.36 7661.66 2301.32 1818.73 30702 2052.98 1266.75 836.74 421.45 2249.09 4239.94 1063.99 2603.78 1359.59 735.08 3312.06 16217.86 4667.67 799.76 837 3273.87 2108.82 833.15 5365.86 1151.04 1687.44 2211.79 972.85 8317.91 538.29 1413.82 477.21 2863.25 4210.69 1016.22 2464.81 5262.37 816.14 1030.59 887.85 3534.96 816.29 476.06 746.93 1495.33 1935.49 573.3 1598.52 3834.64 1945.51 924.39 662.65 1091.81 593.92 10636.47 863.11 4015.13 3533.55 1296.7 512.75 2862.22 733.97 2128.69 500.29 1318.21 2144.37 17632.9 2418.95 2890.58 2719.93 3504.92 3721.69 3714.88 3770.08 3701.95 3644 3512.98 2966.11 3715.94 12-Methyltetradecanoic acid 4486.82 4118.87 3516.69 9962.74 47923.14 44652.68 77671.4 5014.36 4949.6 4620.93 3427.61 4323.23 10702.07 3977.08 5615.05 4320.02 3619.25 5829.48 3224.34 3882.1 5442.41 9603.41 5996.07 3206.3 3461.91 3735.21 2226.04 2692.88 9862.25 1653.92 2206.03 2170.48 2335.25 4279.51 3049.79 3270.3 4429.44 2873.49 8121.97 2158.49 14034.27 6778.2 3831.74 5105.96 6274.14 8307.31 4718 4415.26 1914.1 2695.82 5868.33 6078.11 4652.4 6632.05 11109.05 3596.5 2436.6 3071.47 4980.52 6221.9 4345.62 7354.24 7489.13 5759.7 4007.91 10046.33 6562.32 4430.57 4640.29 4432.52 3782.42 3537.14 7307.59 6360.98 5582.59 11490.83 11488.57 11451.2 11402.02 11446.69 11499.77 11429.23 11338.4 11400.49 Nodularin 2383.35 5289.37 7828.09 13451.68 6368.33 2470.98 8951.06 3917.72 3374.64 10644.87 14269.05 13847.86 21888.33 24481.03 1300 12324.93 8749.44 2444.71 3182.42 741.47 2118.12 8565.77 14314.42 11805.55 4398.88 6179.57 11424.67 5418.26 2477.11 772.94 1183.43 10846.65 9223.2 14398.69 10924.49 3685.74 4765.49 1992.97 9235.39 5445.69 2577.15 4238.71 12871.75 9340.05 3213.56 7309.6 1047.33 4073.71 10954.7 2843.01 7722.63 14217.88 21581.19 24782.19 11692.31 8783.27 7852.67 7608.27 3579.04 7443.07 21195.54 15293.26 12369.17 12128 4379.89 10136.79 1441.22 10513.86 8743.86 6763.51 3791.05 10532.27 10690.63 2005.57 14551.69 6355.27 6423.22 5967.37 3786.12 6013.03 6353.79 6392.77 6039.17 6373.97 Aldehyde Reactive Probe (trifluoroacetate salt) 14373.41 15911.9 7284.06 29016.01 20625.58 38616.34 33026.14 21396.83 20876.26 41241.94 14328.34 22732.57 27723.46 52050.52 29122.04 19135.08 33292.86 30561.56 44983.85 28200.29 6620.74 5342.38 5318 6955.36 4695.77 4911.44 3118.8 3614.94 8567.71 9036.38 5507.46 11073.09 12323.83 7923.71 10744.38 4692.51 6965.77 4230.64 6793.14 4054.78 16580.12 11430.06 7837.42 16117.95 41516.71 19804.45 21821.08 14688 8054.56 25182.89 13965.14 15185.01 10435.31 10236.22 12679.61 12100.74 9067.36 11771.75 12144 13595.68 14844.6 12748.59 16089.21 15162.28 16305.08 15680.23 20996.65 17192.49 12779.36 14863.59 16098.7 32130.61 11171.63 20730.6 18386.7 15135.02 19437.79 18890.49 19367.15 18814 19246.15 19383.21 18638.76 19362.62 Nicotinate adenine dinucleotide phosphate 26219.85 28627.32 61663.1 27684.29 35425.02 7663.95 15497.8 39393.09 34414.54 42166.15 7773.06 91024.08 96956.35 29669.5 38765.96 12061.99 16017.74 28215.23 53437.95 27059.82 57540.99 12101.98 34384.39 41486.84 56367.32 79563.68 78858.22 37290.12 44758.93 79426.93 27297.84 18842.62 19727.58 35486.17 17812.83 132281.63 19188.57 7218.73 26589.61 29301.3 43785.75 17515.41 21649.32 14117.78 19759.94 16830.98 26315.05 74017.78 11632.66 7996.93 14185.16 19094.97 21587.14 13076.84 19524.86 54444.68 30382 27613.04 16377.1 16088.85 51785.67 26221.03 22007.76 13643.33 13615.52 31449.54 31133 75019.94 49768.77 35520.29 13488.02 13966.35 6173.99 9954.98 33373.94 20759.23 20371.04 20481.87 20764.39 20760.53 20721.45 20459.15 20459.89 21173.35 s-Hexylglutathione 13895.08 15235.32 8026.31 7997.29 19671.15 4524.54 11299.53 20352.68 23076.35 16811.67 20036.93 26948.12 23967.84 16471.23 19527.84 21285.35 17229.51 24891.51 33398.22 35666.5 17301.74 8742.03 12305.2 11432.95 15507.65 13040.58 6850.78 12465.48 30174.05 18228.4 18006.74 13628.64 10899.43 9335.25 10542.84 27076.68 15325.35 4059.11 12517.63 8436.28 35212.58 24247.63 16867.83 22226.88 27057.06 17748.95 47852.08 21328.71 15095.77 27306.38 15800.18 16395.49 20014.77 20609.92 14552.4 18072.31 6806.04 11039.65 25893.22 5076.43 14043.37 11732.92 15590.32 20594.91 24206 20444.91 22486.92 20375.16 17528.83 17134.87 18046.82 17588.74 13972.18 21875.26 16550.17 15902.87 15936.52 15599.51 15578.79 15906.99 16200.07 15395.45 15803.41 15733.11 Fraxin 10737.03 7509.13 1936.83 5395.53 10450 12407.38 5426.63 18137.06 17227.8 6626.16 13514.78 21809.65 7116.16 6893.22 14480.79 26197.49 9444.47 6784.8 11619.26 17080.17 11983.02 6337.96 7132.66 3770.68 9860.75 3687.5 2372.21 5894.42 14825.95 11667.2 1656.31 23869.3 14726.64 7042.59 8639.84 13250.38 9442.15 3478.27 3316.12 3314.92 23244.17 27209.08 15199.16 6917.97 17441.38 8724.6 11817.25 7487.25 15927.44 23568.48 21738.29 7931.02 3296.79 11188.17 12298.41 11925.16 8057.89 3042.9 9660.78 7269.27 7984.89 7844.04 9694.66 7689.68 16128.2 11927.83 16514.24 16725.08 16323.85 8761.23 13117.1 11517.48 14113.26 4432.82 18701.58 16045.75 12227.07 16180.64 15715.27 15585.74 16205.3 15821.55 16208.38 15568.96 alpha-Guanidinoglutaric Acid 1925.94 4450.85 1386.09 1174.89 2522.1 12398.44 1350.09 2721.76 5377.32 5387.32 3225.16 3402.65 1985.55 2247.76 8110.22 4770.93 3905.13 5280.89 5245.56 4279.22 3207.05 3957.49 2077.3 1302.44 2639.42 3294.33 1167.25 804.57 2397.32 723.72 2902.45 693.41 2937.93 1720.61 1297.83 1648.82 2843.01 1360.71 2077.74 983.56 3325.82 2693.07 2216.2 2214.84 5304.59 1003.49 4268.88 1235.84 728 5641.09 1075.78 4946.95 2451.05 2386.97 3209.65 6322.54 1312.45 1846.68 4100.39 4513.18 2101.72 1406.45 4137.85 3768.12 3019.9 4683.34 6911.54 2713.95 2891.69 4108.93 4602.71 5569.56 2771.69 2608.33 2505.88 3886.19 3671.12 3664.92 3166.27 3829.48 3696.99 3693.23 3800.67 3686.09 Tandutinib 2571.93 908.01 1250.92 1909.94 4164.49 299.61 2496.99 824.34 1904.53 2488.96 3130.52 6319.04 3139.7 736.87 401.62 1194.51 1020.43 1428.16 8846.75 1062.94 1742.33 1529.66 1456.92 408.63 768.37 2240.89 568.03 469.33 604.18 1166.09 519.36 1452.61 1775.73 1263.55 1567.72 1915.72 589.05 1244.31 1914.84 1118.07 2461.04 2618.66 3489.47 2467.14 3039.73 557.85 2024.63 3889.61 641.69 2334.76 1952.06 2478.61 3769.51 613.65 905.09 2137.59 12601.63 418.45 756.92 473.15 2826.64 14192.1 3144.42 2405.53 1099.15 2280.49 1615.55 2562.82 962.73 1930.68 2007.99 2058.96 2373.22 1535.94 3780.4 3861.34 3458.21 3866.42 3613.18 3906.7 3865.27 3897.05 3260.73 3652.54 Rebaudioside A 504.9 427.15 1481.88 332.72 1410.83 2737.58 1156.44 1183.36 5955.16 1236.07 2304.64 10535.01 13498.85 3577.9 2723.43 11550.2 3608.89 1818.27 1232.82 2941.19 911.91 367.09 4585.44 354.97 514.91 684.42 694.28 746.34 1074.52 1291.11 793.74 1439.27 645.94 6256.22 459.41 632.85 877.91 170.68 719.76 1134.16 1179.4 1000.63 2594.08 341.4 645.24 874.86 1687.88 4920.06 1402.34 13092.88 911.43 353.65 961.15 1901.13 845.79 1675.89 1519.34 707.69 462.77 615.55 3171.77 2190.44 2390.42 3347.5 4296.02 3560.39 3840.81 2934.83 2003.91 403.77 2883.59 4202.04 4348.82 2329.44 1195.25 3750.63 3970 4107.06 4898.73 4558.18 4495.03 4502.35 3499.11 4643.73 3-Hydroxyoctanoic acid 484.34 781.66 505.62 534.62 334.95 247.47 621.4 3959.86 1342.66 1335.65 869.68 1191.22 799.27 2191.23 4824.59 780.75 227.82 12325.5 9250.68 4122.44 1498.11 498.72 1224.1 495.42 1270.88 272.8 361.17 234.28 2277.72 851.94 1227.98 7915.45 4603.79 914.11 361.62 3909.28 3309.43 555.58 272.46 371.66 1115.15 1899.63 2025.63 1004.68 3249.88 696.45 4251.14 2718.88 2492.29 3168.41 1751.63 2204.29 294.86 464.12 1167.67 2151.67 547.05 397.39 6869.05 600.71 431.14 767.9 1723.8 2119.56 3005.33 1230.63 1192.3 231.34 696.64 4561.7 481.72 1266.89 3169.07 266.71 785.81 2865.58 2899.11 2823.01 2867.15 2865.6 2961.36 2918.67 2864.92 2866 Cyano-4-hydroxycinnamic acid 4219.05 6928.74 3952.14 16532.38 9103.95 13602.96 19585.86 8250.23 8563.01 8389.51 9299.15 5490.83 9668.89 7087.8 11806.83 7940.13 8606.49 12739.85 9841.14 4151.84 5146.56 5539.54 2548.32 3945.52 5363.01 5623.52 2697.44 2093.62 10511.79 2169.49 4920.43 4012.99 3756.25 3880.23 4108.22 4902.5 5923.73 679.6 5345.59 3266.89 7676.08 9484.14 6594.45 8965.64 7229.58 6783.98 5535.48 5050.35 3053.59 9221.6 6003.22 7314.43 6314.5 6332.11 6963.45 8711.63 4920.06 5181.72 8334.12 9430.79 6800.51 10656.83 8525.55 7747.32 6566.77 11614.56 6512.81 7187.88 7559.21 9418.13 8580.77 9398.46 4706.6 7158.39 10335.73 8744.7 8766.51 8483.54 8444.72 8679.41 8763.59 8369.56 8742.65 7634.74 4-(3-Hydroxybutyl)phenol 43084.28 58856.06 66248.39 116176.7 63688.26 78240.56 134238.49 64645.12 48903.01 157215.79 173131.88 139243.33 150646.91 116721.36 76105.99 178366.65 109855.49 66064.78 208777.59 25672.03 31932.49 27614.38 84570.79 72652.28 38197.4 41603.67 72180.54 98148 48218.76 12923.55 20638.6 125318.01 32794.77 84061.47 67029.41 39562.92 40273.26 14804.42 107422.59 57331.81 27031.55 63544.34 148027.42 104728.34 57606.37 102074.56 42709.61 118878.69 54819.82 148103.93 36472.2 75518.22 138401.73 138135.59 48154.53 65779.82 51955.25 76412.67 61670.4 40256.72 96666.39 75082.44 59602.45 132102.26 125718.12 74131.83 60304.36 114913.23 98049.26 82981.18 51546.77 172871.54 107702.85 172950.26 159178.77 102953.28 102985.87 103948.81 104250.47 104464.61 102934.84 103034.6 101980.21 102954.44 1-Oleoyl lysophosphatidic acid sodium salt 1792.04 5177.58 2854.14 5864.17 1509.65 6107.38 6561.85 795.61 4761.81 6927.65 3918.06 8520.22 11108.12 5602.98 4637.76 8272.51 5156.3 9849.29 15279.93 4272.67 5708.05 3438.68 6352.42 2623.74 2363.68 2621.17 3099.98 2419.16 6869.53 1159.88 7863.5 6971.35 4131.62 4899.62 4078.72 2356.71 2498.24 2072.88 5013.7 2860.47 8627.96 1216.13 7244.68 6092.32 5728.52 12252.98 5316.25 9279.91 2737.51 9624.86 4536.59 7066.14 8345.02 6231.47 859.32 5536.26 3357.58 2749.71 5215.57 3218.14 6562.62 6991.3 6206.19 3906.45 7343.42 1481.49 8780.94 6254.7 4411.84 1211.27 5609.91 4041.28 6363.32 5174.41 6680.77 506.39 6696.63 1416.39 1355.4 754.5 5933.7 2267.47 4807.46 834.4 1353.01 518.9 1476.27 4495.16 2049.7 1723.28 8318.99 8104.77 4551.02 2137.22 904.76 7899.43 2350.85 3220.99 5756.58 8228.99 6210.55 5987.07 5567.33 5951.56 6463.98 6242.43 5925.45 5880.51 6210.3 alpha-Hydroxytriazolam 1903.16 2662.79 1118.26 12987.95 1961.49 3217.15 4506.16 984.11 1504.42 1383.41 1086.54 647.69 5769.53 3229.69 1290.11 1989.03 5859.02 3655.57 3772.2 1481.63 1513.72 1191.45 1240.3 1333.3 1406.95 1244.77 866.2 942.94 846.84 827.41 926.57 932.3 1312.5 1800.88 603.95 1179.25 966.37 839.48 605.56 1139.54 664.57 1730.61 1691.67 816.03 1530.52 6986.79 731.56 2229.06 851.34 2312.91 1245.59 1705.1 1046.93 741.02 806.52 807.79 643.94 629.36 2358.53 605.05 741.16 1643.34 976.69 542.32 1093.64 1280.15 1283.52 591.67 769.42 1945.09 974.61 554.3 1247.75 1904.92 2268.74 1259.36 1233.44 1252.37 1257.75 1237.75 1233.29 1281.08 1210.96 1247.94 Niacinamide 25681.65 31105.96 26837.93 23300.97 26007.27 23995.74 26582.61 31559.51 33990.38 18504.14 36390.4 16214.12 5325.25 25186.98 31882.53 29851.71 32369.54 33069.8 15702.61 31020.74 24595.16 20543.41 19846.28 25076.28 21168.9 18794.56 15862.42 18647.36 29083.13 23236.08 17989.95 20920.47 29464.99 15440.8 24157.43 19881.99 30769.22 7423.29 28209.77 24520.02 34871.04 23766.54 34103.08 31388.55 29790.65 28381.38 38697.82 38310.63 19950.98 28541.21 25958.45 34235.12 30098.85 29705.63 32261.2 33490.41 23831.92 36724.73 40351.67 40663.84 30763.97 24722.14 38774.22 36742.18 37115.23 21318.32 44814.12 20474.78 30759.35 35427.79 38785.56 31855.13 41897.5 36148.72 32162.35 9254.87 8506.2 14212.57 7140.1 11744.97 6881.65 8957.16 1824.37 5526.09 8575.89 7253.55 6571.63 5206.33 3352.51 6940.65 7616.52 4203.21 16360.06 9941.89 3382.8 5746.34 8980.35 6001.29 7012.48 13640.16 32350.93 32358.98 31997.36 32359.57 33211.01 32123.19 31992.06 30923.95 31987.49 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-,(3R)- 208166.8 117962.4 26559.32 46593.31 168874.88 145861.27 103622.84 188868.37 254718.01 183641.11 116226.55 194321.9 137860.16 118319.66 227983.13 152694.77 92326.88 186950.97 164691.22 278208.91 163687.54 48436.36 67076.93 62514.1 167607.55 130249.44 68748.16 129195.42 142410.9 183071.11 160960.64 136617.01 131836.59 61249.56 43877.48 152697.23 165005.03 25281.75 108297.89 68431.87 356827.72 304585.33 73053.09 86217.46 206665.85 115363.12 242198.26 104466.95 176337.7 201741.43 198734.38 143498.19 81480.49 95567.17 187402.99 135458.35 27341.27 34465.7 210410.45 99914.99 74728.77 88204.4 142320.16 86307.29 122393.52 254630.24 225156.37 148269.21 148774.97 185467.89 269548.35 175922.11 161905.29 88759.63 102873.86 187351.94 188299.68 186330.71 186353.38 186336.75 187473.02 187527.47 183241.48 191658.85 Alisol B 8038.69 11308.58 4007.78 3649.18 2996.83 5041.71 2013.08 4243.02 3218.39 13304.27 17320.64 7968.14 10663.18 12685.71 5350.22 4137.58 23921.89 3505.5 6040.51 4234.75 2893.5 6229.49 11892.76 11327.2 1832.24 3281.16 6830 11257.31 3404.35 7181.51 5305.28 5785.79 7343.32 20946.2 8968.54 1721.77 6897.24 3372.55 23870.04 4743.73 3149.88 4600.95 11493.18 12879.23 7767.29 7248.74 5722.87 6906.2 7654.61 6964.48 6465.73 8220.04 16279.8 5805.99 5174.8 5645.61 16995.16 8375.07 1298.67 5849.02 12959.43 11007.95 3543.2 6811.89 14583.31 2663.23 6528.91 11747.58 6780.07 6083.1 8560.18 6695.98 9421.42 4806.03 7600.13 4373.9 5409.43 5457.27 5384.6 6051.34 5426.99 5694.71 5717.31 5518.24 Ruxolitinib 9525.37 13552.92 30578.2 42054.82 10474.56 43900.39 30758.82 43186.9 11245.19 23050.02 58679.15 31909.93 46318.44 25516.57 8594.43 49271.79 37061.38 19399.22 46799.17 35103.57 13455.36 20649.66 21879.84 32064.77 7377.6 6104.18 10415.81 11487.84 10657.56 38845.15 5873.65 26300.58 9023.65 20743.76 18546.97 7049.16 25416.7 6936.74 11640.91 11766.7 11167.35 12261.28 59617.81 49320.81 14542.94 25607.01 14932.04 31586.07 24869.41 45114.82 7820.65 21624.74 30066.57 32929.69 8148.95 20013.8 24736.29 30779.97 13241.75 23240.68 25102.14 29162.71 14767.3 51508.01 52932.29 19733.13 2983.62 29913.43 31736.39 6544.69 20710.3 29305.27 29031.75 53087.96 41405.67 3756.21 6156.27 2388.65 4023.77 2684.9 4259.8 3043.7 2682.16 2955.5 2966.86 3885.93 2158.32 2757.98 2708.72 2843.27 3704.05 3909.09 3404.12 2890.8 2723.03 2745.83 2535.82 2534.35 2274.54 2905.26 23321.47 24683.43 23669.45 24178.09 24694.68 25036.73 23684.97 23259.82 24730.83 11-Epimisoprostol 118.55 514.15 428.08 9357.32 39808.28 41738.66 30661.67 821.33 505.94 610.44 435.66 236.75 5191.13 485.9 751.68 2906.37 789.33 104.7 110.95 620.36 234.34 660.55 340.26 395.93 303.75 354.76 86.56 394.98 284.01 319.43 175.62 278.24 330.27 283.89 341.71 100.62 404.62 112.43 578.85 238.56 11627.73 1120.14 397.96 623.24 885.89 5028.23 569.1 88 339.1 95.43 947.01 677.92 103.15 821.34 1808.94 815.69 633.17 325.22 680.53 2342.99 531.17 1097.62 687.78 1156.1 342.22 541.06 703.36 606.34 159.72 113.42 446.51 262.41 473.31 971.08 1712.1 3724.43 3750.91 3801.99 3751.94 3815.92 3803.23 3753.68 3820.47 3786.88 Veratramine 9256.22 6249.95 27407.02 11321.32 3598.71 7633.08 5394.6 31554.15 15219.96 3829.72 11807.52 3322.91 11533.55 4269.46 20435.82 11914.96 14685.98 12788.96 57889.85 41325.78 17157.87 1519.58 8141.13 6717.81 13157.1 1730.06 864.92 1246.09 51977.93 9607.84 820.43 10344.55 4143.63 11737.51 8111.19 17185.57 9641.8 2192.75 5630.46 1258.19 1453.84 8714.58 10993.9 1603.43 7092.3 4317.55 17363.99 31040.48 27161 23931.9 4168.61 10650.14 27177.45 15928.54 24449.1 1280.24 4479.79 5691.23 19218 1922.85 10914.48 2026.96 20791.6 52110.41 24158.3 8918.33 12065.75 6136.66 4756.92 27381.11 6268.16 13714.4 11850.52 20375.29 12942.86 558.15 1361.64 1528.65 3310.58 1477.48 1135.5 1549.43 626.83 589.53 899.04 1931.38 2113.96 1431.44 1488.1 3542.99 870.0 3129.35 3301.71 2323.05 2250.75 1270.54 1108.03 663.04 11942.18 11779.78 12139.07 13656.31 11722.65 11088.41 11306.74 10533.28 11164.02 Homovanillic acid sulfate 10917.08 15842.11 3187.6 1565.7 518.68 4997.75 594.47 22210.6 23683.3 7074.26 7780.74 7126.46 688.31 7082.7 28679.82 8632.64 7099.32 56438.56 20761.24 83508.62 2300.49 4701.48 3044.06 1365 3877.48 6609.36 1375.22 475.22 12720.06 270.68 15319.92 7861.11 5017.64 508.86 1962.96 2924.73 8770.93 919.15 3250.01 266.1 8418.81 14631.08 7808.78 6850.95 31272.41 5179.45 56490.1 17990.36 1153.37 29769.28 3258.53 9232.89 5377.71 1868.37 7068.4 12221.8 3713.75 10895.56 24836.76 3210.06 6554.69 2391.75 12092.9 9964.32 33344.75 5458.32 18165.87 8393.97 21793.24 25929.92 24512.23 11914.56 26381.34 7555.32 1682.05 15279.99 15279.46 15276.59 15396.42 15486.44 15309.19 15392.55 15276.42 15348.21 Lys-Phe-Tyr 10020.21 6751.36 4102.72 3212.9 9461.07 15766.06 4316.57 13485.73 15320.8 9407.95 1372.22 2270.02 17596.95 3836.64 5697.16 10638.34 8026.11 15207.43 17073.22 26213.65 9337 8068.13 2530.63 1879.26 2205.81 7410.87 4969.22 3677.52 13059.59 1720.46 10397.28 5345.22 6411.35 7119.86 6981.87 9854.12 10917.92 2028.22 2782.6 3148.22 5244.16 13465.57 5603.19 3129.95 9712.72 6795.92 7585.28 10021.22 2916.72 17481.27 10115.84 12902.53 5659.39 6241.83 11298.36 10937.75 2863.56 4242.51 13623.2 6157.02 8731.67 2864.86 2243.76 4374.91 4787.35 21255.81 11544.83 1909.96 3072.56 11436.15 13073.03 17433.09 14385.43 4782.45 7780.93 13389.08 13398.86 13836.96 13967.26 14546.21 16832.46 13484.21 14572.77 6879.23 Phe-Trp 3821.13 4269.69 476.94 1769.11 959.41 3652.7 2000.38 2918.84 7413.02 2800.31 1569.62 2207.95 539.85 764.62 6368.88 1992.12 3047.54 6103.11 2398.28 6333.71 3489.41 1952.25 887.2 1881.01 6456.75 3225.04 703.31 2664.49 2668.34 1956.25 6450.26 2036.76 3141.86 1545.17 877.56 4650.95 6252.12 1090.47 443.14 1691.55 4133.64 3775.82 3452.22 2249.94 6239.88 1739.97 9949.68 2297.86 2386.79 2982.81 3073.74 3478.64 2262.79 1613.88 9163.58 3273.73 1611.73 976.4 4642.08 800.84 2873.14 621.06 4459.73 1328.46 5676.07 4702.62 2888.67 1190.01 3537.13 10325.29 18031.74 4723.49 4096.46 1909.21 2370.17 3140.66 3408.03 2614.41 3161.96 3240.8 3129.28 3507.91 3370.64 3105.25 Yohimbine 12812.96 4940.28 1825.68 4413.46 12040.24 12312.62 5390.05 13938.06 12434.52 6906.97 3864.24 5242.08 4524.03 2651.08 9136.72 8459.11 2933.28 3715.39 3926.17 7551.37 12374.45 3386.21 987.09 1302.22 4455.41 2577.53 1968.28 750.42 6912.3 2543.83 486.85 4463.68 6480.11 2294.12 1848.83 5414.79 8693.85 1406.3 2566.59 919.84 1864.08 8765.48 2978.11 3016.26 2109.6 2493.84 10548.72 3215.8 629.67 5963.47 1571.47 12071.03 1720.32 3388.48 5681.17 5383.71 2520.35 1180.66 9483.49 5686.94 2836.53 3082.88 4208.12 3496.73 6411.94 19378.5 9218.66 5418.25 4803.07 7197.67 7582.69 7303.56 3891.01 3529.72 5328.61 8350.94 7990.38 9179.05 8352.49 9011.91 9073.44 9014.46 8739.99 8474.89 Flonicamid 3930.46 6650.8 16869.67 5420.32 826.25 3880.23 1575.95 2464.14 1089.09 1027.14 11377.11 8109.14 12235.92 1358.58 914.8 5870.81 8005.53 21562.2 4099.49 2929.78 6033.69 9480.3 7912.62 6174.8 4543.63 10114.77 6406.71 5169.14 5660.98 2102.85 6797.6 4184.34 7209.29 23184.39 7827.91 5799.74 6909.42 18058.3 6559.82 8019.61 2557.11 1205.27 6212.82 7847.26 1282.82 46495.49 4501.44 12337.45 5593.78 6093.54 3215.14 14119.63 5962.21 6217.97 4978.35 6434.77 20907.91 21007.89 1968.66 2048.41 11922.9 18519.02 5817.78 9150.95 7306.15 1083.53 1126.25 8441.6 4602.91 1034.44 2548.21 3168.83 3588.52 7628.67 961.71 8601.26 8539.07 8514.14 7359.7 8113.33 8555.04 8232.54 8175.27 8513.83 2-[[2-[[2-[(2-Amino-3-phenylpropanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid 1759.49 1507.18 453.71 1560.32 2049.03 330.18 488.32 2571.71 2434.86 2346.73 377.27 2531.95 3289.53 3126.08 2682.19 1122.66 1217.39 4274.08 7824.9 4706.06 1333.2 396.56 333.35 622.48 600.75 365.96 349.48 519.64 2247.59 741.44 863.14 1461.94 1070.54 625.95 312.43 658.14 714.62 423.83 891.58 459.76 2435.75 2285.49 439.07 1154.64 5352.77 2075.5 3043.4 2045.64 1023.41 1199.62 538.35 829.38 373.09 713.48 1138.97 888.91 499.16 588.64 1014.3 640.65 652.91 481.23 1190.4 516.66 834.9 1676.69 2951.06 959.37 1203.28 792.71 1036.85 830.76 317.69 479.59 402.4 1590.7 1857.97 1860 1862.79 1806.18 1856.83 1848.07 1802.38 1804.87 2-Chloro-4-methylphenol 518652.4 498759.96 458040.11 445753.02 530236.1 365165 462461.38 626657.14 646147.35 616729.93 322525.91 798792.82 687218.96 547598.16 565330.11 529051.51 455867.77 637626.45 749961.23 550306.04 369440.41 337493.72 481664.42 444184.08 535773.25 361720.88 359646.36 453976.94 558889.19 276622.65 271967 490018.83 448838.41 434552.08 454712.07 596998.17 428632.14 104847.29 502175.55 356462.84 451439.97 478666.99 551193.76 536200.12 635339.38 405458.25 623652.47 678732.65 373794.19 535667.87 418412.39 543043.22 526740.75 398898.62 486760.97 512703.28 412847.72 477050.5 535615.13 351273.7 517929.59 613104.24 604361.14 467322.93 567872.89 586757.26 425744.51 685402.81 578344.95 553618.33 462284.79 490896.2 301337.77 416271.03 427224.33 555659 568438.64 559336.97 557820.82 558859.21 559339.18 555817.79 537495.3 557410.88 (1-Butyl-2-methyl-1H-indol-3-yl)-1-naphthalenylmethanone 1777.91 4346.91 897.9 1102.56 3793.25 1019.77 1737.63 7541.42 7341.19 681.88 2035.31 566.85 1922.96 2098.02 11648.15 2830.15 2023.78 10270.28 9131.07 15110.03 4272.86 4998.97 1162.98 850.84 4134.36 5046.37 549.23 900.81 4821.74 1247.13 4797.55 548.99 4604.91 689.16 925.53 2745.03 5498.72 645.07 1363.72 816.05 4276.64 6241.28 699.05 1477.57 9533.4 1921.84 10268.48 2977.29 1016.75 605.13 2140.1 6465.71 1580.06 1358.11 3043.85 6262.04 813.48 1899.6 9599.96 2936.79 647.77 1144.86 3794.64 1343.12 2911.62 1934.57 10039.54 1687.82 1123.3 9148.39 7229.69 2995.21 2597.82 404.08 1945.33 4688.16 4689.05 4552.79 4583.66 4682.46 3756.36 4681.75 4548.49 4685.42 L-Alanyl-L-tryptophan 12245.78 4471.48 988.43 1878.52 23053.27 4782.49 13337.68 22489.73 23144.19 12283.17 25094.47 26423.22 18722.66 10463.07 21094.99 17843.93 7955.1 31159.25 20478.82 47227.94 9698.7 820.26 1434.44 5429.03 3532.25 6535.72 4441.51 6789.83 15308.68 5149.56 7395.25 12661.89 6359.63 5543.82 3874.84 10446.7 9837.72 2522.72 7357.28 1324.62 41100.63 28318.14 5888.09 13163.06 32624.11 16526.07 26722.05 4027.03 6596.86 12526 11866.53 13217.64 9175.21 10538.13 11417.06 6817.27 2200.96 915.31 17541.42 686.37 8667.45 5971.41 6459.11 2700.31 2832.85 20713.29 26280.19 10510.72 14995.51 29584.16 16618.56 710.48 11581.22 1919.34 12962.87 16387.77 16592.1 16013.21 16597.69 16521.29 16385.96 16405.88 16380.33 16592.95 Cellobiotol 27456.27 22786.12 548.71 8194.51 8448.69 1895.91 3001.71 50021.63 52898.9 13762.54 15977.16 32309.68 377.48 14777.5 47300.23 30534.28 7239.01 57574.43 32538.57 58201.65 41951.17 2282.55 7226.14 4524.22 41112.52 28612.28 11154.8 15235.9 35505.67 26015.76 40673.5 29656.88 20463.13 708.02 614.23 32707.64 37462.51 889.07 3386.83 18659.04 77658.89 38266.19 5557.65 6557.6 49430.27 1689.82 85449.97 19106.83 8451.16 63416.45 5812.35 6143.7 1531.47 6048.66 23589.98 8304.08 1980.38 2437.94 50832.48 4614.56 14028.16 3292.74 24934.02 7757.38 39619.35 30801.79 34733.19 27419.45 58053.99 80541.19 87943.53 26751.72 56092.52 4346.93 20683.24 34181.69 34345.29 34198.3 34316.68 35076.52 33602.68 34332.04 34043.63 34047.07 Pelitinib 21699.71 3766.99 315.7 2295.26 16562.61 3795.32 682.14 35590.63 33999.65 10122.61 869.84 7198.06 4980.73 970.41 21165.29 7554.66 1837.75 16073.45 7023.86 36526.39 16409.65 963.52 2668.27 3183.9 13197.92 4984 2687.14 2623.88 16705.43 3382.35 16612.97 9161 5416.34 2345.97 1861.92 10570.37 11301.46 754.53 2199.62 450.78 18766.09 27034.71 684.33 490.11 16367.2 879.06 27616.83 3973.03 6595 14359.78 8201.28 4393.66 3309.99 714.51 12511.81 3528.65 1803.45 377.48 21001.7 1999.85 1120.8 1149.79 2755.23 1620.49 1806.82 17688.88 11899.74 4427.1 5383.54 20903.88 20164.83 7430.72 10532.6 4828.43 6807.58 11404.21 11394.46 11170.91 11404.38 11600.3 11037.17 11174.84 10892.75 12029.5 Piperine 10159.66 6541.69 1585.77 1781.7 6482.08 1946.77 3151.31 12618.02 11716 9996.3 9030.77 7857.48 8572.44 7854.91 11326.85 7757.67 3823.54 6446.59 11882.84 7661.46 9190.75 562.45 5460.35 4764.8 7054.46 6830.76 3151.06 6187.36 7337.57 2877.35 4805.22 6981.45 5300.19 5152.16 4409.3 6572.11 9027.19 1351.31 6970.59 1979.06 7252.01 10999.01 6614.63 6550.52 7051.43 7432.85 8464.07 4622.41 7057.2 6565.63 8426.93 9940.56 6477.02 6063.92 7770.96 5582.39 2124.54 947.24 8849.27 669.57 5553.73 4956.63 9035.31 6659.81 5475.28 10210.08 11552 7794.38 5934.31 9518.46 8127.07 8116.2 8398.67 3265.12 6320.51 7338.94 7832.52 7792.32 7789.08 5134.82 7866.15 7174.01 7691.41 7364.49 N-trans-p-Coumaroyloctopamine 2177.85 7144.79 562.37 1517.17 1516.23 1966.25 1896.1 819.87 1651.93 5765.87 2585.82 902.91 2909.79 2824.16 1446.85 2849.37 4104.12 1959.66 446.19 1398.26 571.68 2227.98 3919.42 1977.48 583.13 1238.5 886.95 344.98 1513.24 2129.59 333.87 392.81 859.44 608.61 1590.2 424.88 1195.71 1037.98 510.5 2123.7 1939.25 959.18 2220.85 3112.83 1448.44 2099.71 4865.51 3596.68 884.07 1269.26 939.29 6280.81 6156.84 532.58 1438.94 6453.4 2112.23 3607.38 5277.45 2641.57 4161.75 6239.73 3156.88 2754.57 839.3 2068.89 1617.89 3680.67 1221.96 2345.98 1525.87 5003.08 3623.99 4138.11 1554.92 2858.77 2667.65 2532.63 2504.96 1947.12 3059.77 2850.2 3190.58 2572.17 Lucidin 112549.73 155829.23 208924.12 148350.17 121056.69 65588.24 88015.05 124735.89 128431.18 131196.4 108922.71 138188.95 76057.83 52902.31 78284.58 110417.67 214142.99 58117.27 136852.45 50897.69 114740.92 209263.57 157090.01 245550.19 274301.68 160324.98 161194.63 148538.72 245540.15 213797.03 180675.2 77225.05 135266.31 204241.31 145416.02 200511.66 169135.85 209978.37 153785.24 249867.87 134125.27 112575.96 169607.13 173621.9 101396.08 88742.4 108000.34 182500.42 203401.13 60999.83 115193.05 127100.34 196415.55 178440.84 124366.55 97195.45 187020.52 124835.99 129685.03 135159.45 147707.62 122047.53 202304.64 113132.18 162109.53 121880.54 78140.96 115640.64 130928.39 98598.69 147139.21 149625.44 140027.74 120215.94 142132.44 195479.08 204796.97 178414.3 205452.19 195402.26 184285.07 221458.29 216526.89 223711.79 212194.47 194659.82 226696.83 224238.95 199558.88 209066.11 190726.06 193824.85 221969.15 230080.25 188558.56 204447.49 196600.22 231053.07 195993.31 200336.76 112489.6 109508.14 116985.24 110565.44 107174.86 106011.88 112186.63 110469.05 105984.62 Vitamin K 7849.34 8909.67 8631.97 4911.73 5779.32 10133.21 7861.13 13960.88 9767.56 10317.2 12569.72 10933.67 11448.56 11253.25 3009.83 7140.02 4841.52 3094.02 6749.56 4786.94 8094.06 7456.82 9836.25 11499.86 15282.67 4577.65 4654.31 7120.92 2139.71 9762.74 6621.74 7425.64 7947.96 3989.8 9306.12 8873.44 6324.45 1061.18 14275.49 5894.51 10205.73 6770.89 17001.05 15835.51 18419.41 12066.84 10087.16 9229.03 9675.79 8235.24 6963.94 12645.01 14011.88 11640.08 11850.4 9743.88 6903.48 10645.67 5858.6 8482.4 9875.63 2930.26 9710.68 8657.37 7190.13 500.29 12168.54 5313.39 3725.24 10170.54 8048.83 3119.12 10720.65 9502.53 4635.24 10627.57 10725.47 10648.45 10575.59 10504.26 10502.94 10645.98 10136.54 10508.74 Quinacrine 653.79 1411.92 843.71 1368.34 15052.01 1134.86 514.56 1139.66 577.54 1365.19 1582.37 554.92 1530.48 2501.67 1209.12 5171.9 1282.39 3613.77 803.4 4631.71 1219.53 705.02 1122.95 767.22 863.87 585.99 869.05 713.53 1718.24 464.61 380.07 8709.2 987.89 2062.74 726.07 869.1 987.75 519.43 836.01 664.94 948.03 4468.84 388.54 455.3 772.98 951.13 299.45 1389.66 825.11 2482.3 1729.86 375.95 476.24 855.66 1374.34 1889.17 782 861.81 3312.98 476.44 1552.45 883.64 2076.48 504.87 721.7 343.34 2483.38 1375.69 1065.13 1506.31 978.89 696.33 751.78 1094.87 1423.38 1840.53 1850.99 1776.63 1840.29 1826.15 1854.91 1855.73 1671.08 1459.73 Leupeptin 4084.28 652.43 3758.76 3194.44 3239.17 3132.06 23747.99 4093.54 1399.31 4453.72 4022.44 3678.18 5294.94 9376.95 2859.09 5392.09 1037.84 1271.42 12228.32 5018.52 5681.23 2400.11 3270.97 2379.9 3523.89 584.27 2715.6 1645.69 1795 5773.1 1048.56 3226.1 2997.04 3484.01 2459.36 2935.8 4101.25 325.11 4034.22 1225.37 1549.2 2121.33 4105.84 1085.75 2144.17 1770.32 850.34 900.5 4223.02 3963.03 3747.27 7470.06 9356.21 5710.1 5917.33 1929.63 5168.28 2014.35 3351.3 977.45 4058.96 7017.57 5243.61 14308.54 4108.01 3617.63 1620.25 949.96 3038.51 6556.7 1105.21 3767.52 2141.25 2165.88 5245.12 4633.78 3513.51 5178.92 5301.03 4832.28 4699.78 5352.6 5755.43 4314.68 Cefoperazone 2047.73 189.67 2002.09 440.58 268.39 485.64 329.73 4759.95 819.92 1356.85 4354.49 1730.14 3008.5 1289.19 1385.48 254.17 701 3303.59 557.19 2617.26 2117.76 3315.12 584.68 221.87 200.69 927.98 490.36 802.44 3801.57 1800.34 1555.87 1536.15 1256.79 2462.44 413.39 760.64 3348.27 5592.81 980.01 184.55 2075.92 2344.2 862.17 422.27 1788.08 1224.06 2822.91 718.56 284.36 1899.71 181.85 921.63 430.14 938.87 765.42 441.72 5315.12 5688.09 3840.13 1805.71 991.26 394.94 1721.67 805.88 518.57 2497.27 1027.97 183.37 183.22 7531.19 1414.27 2194.85 1212.78 529.21 1137.97 4157.51 4428.91 4549.7 4435.51 4468.27 4469.36 4771.39 4433.12 4437.91 Atrinositol 44224.63 20801.3 19099.37 14404.53 54366.58 90367.26 27458.56 27699.3 18506.49 56027.91 78030.86 55869.44 46831.34 63865.22 24480.38 37931.38 27612.88 41357.46 92367.36 23073.65 31331.2 33854.54 37615.86 34595.38 48125.7 33813.75 36442.65 45228.12 38443.68 12584.04 34857.05 19825.23 23052.42 27432.08 38183.95 41517.61 37121.48 24189.8 48985.91 43881.15 63631.96 82293.26 49002.51 43309.11 61004.27 19252.74 28619.36 65953.4 62590.29 91729.01 67631.71 42154.39 50384.2 53117.4 27453.84 40249.47 13033.18 15015.8 30977.44 75438.41 45774.96 61076.35 35036.35 14443.33 18582.42 58966.91 16098.45 44501.27 33813.66 19905.33 19312.32 53813.37 73888.38 39650.16 23854.23 5169.64 6189.39 4037.9 4013.25 3213.37 4966.78 7161.84 4494.08 8907.6 8029.87 8516.72 8329.87 5895.99 4082.56 7027.61 3585.51 6683.44 7796.84 3351.54 7200.0 5906.73 5862.69 5530.71 7393.91 7201.98 44065.73 44244.26 44218.19 44005.83 44004.2 44297.74 44754.04 45863.94 44755.47 3-methyl-N-naphthalen-2-ylbutanamide 9097.99 11070.09 10353.91 19852.14 14623.57 3552.84 24510.18 13375.74 11346.21 26077.66 29050.96 25106.22 29072.74 21785.44 16177.66 31374.87 18931.79 14302.91 35223.66 1782.24 6806.91 1229.95 14483.86 13148.04 7565.87 9191.93 12271.23 15476.46 10738.99 4113.43 4368.15 20687.92 3445.92 13236.6 12300.75 7663.02 8916.45 2894.11 18117.41 9445.62 6940.41 12851.64 24370.17 18553.25 11093.75 18888.11 3870.03 20524.11 9699.62 26368.44 7634.55 15741.51 22914.26 23478.01 9813.96 13355.52 9865.37 12943.78 13518.31 8684.93 16638.06 15386.73 6031.72 25255.19 21463.88 15409.71 3910.42 19943.86 18519.41 12723.23 11561.62 29501.78 18594.34 28044.48 26662.59 61628.21 62815.61 64926.02 62919.88 61571.77 66163.09 75910.07 65297.04 64104.64 66347.0 61312.01 68245.64 63223.71 67674.63 64077.34 61207.13 66560.01 64646.69 64006.84 65327.32 63601.09 61704.74 64195.24 68911.81 56567.4 19636.71 19509.47 19630.06 19574.05 20301.49 19354.14 19634.8 19486.43 19488.38 Psilocin 7676.99 14877.6 14558.81 13771.89 6632.68 14591.33 12656.76 7800.38 3630.37 9463.4 8876.08 10467.95 18186.68 16734.57 9862.45 17100.41 17274.25 19370.29 16165.02 6665.62 4825.68 3522.42 6900.44 5287.32 4803.09 3533.67 3909.21 5772.6 10171.21 1108.14 6069.13 16449.23 3636.3 6120.69 5768.32 7633.54 3798.64 2603.52 7481.07 4105.99 7379.55 12574.9 8809.84 8986.95 12788.15 13598.85 3451.68 9084.36 6455.87 18425.37 7362.37 22694.45 9033.79 12705.68 10299.88 18462.57 11634.63 10881.23 8656.45 41173.17 15579.63 17037.38 10071.32 10080.71 10069.11 16329.26 6881.47 9039.55 9157.75 4779.45 8716.22 10833.37 8910.74 19600.19 11662.45 12878.32 13120.14 13025.58 13022.73 12870.99 13020.96 12867.29 12170.71 12869.51 Oxamflatin 31022.41 777.65 976.5 3486.55 36529.4 11221.59 264.6 138403.5 59762.37 9358.67 6300.22 82332.41 3450.88 12346.79 12100.33 23235.33 7210.34 55453.15 11732.29 101763.84 21504.6 2543.76 2053.37 2775.26 65838.02 5764.89 1347.7 22051.37 111563.1 67913.04 99162.53 14386.27 791.94 3571.94 251.58 100411.56 37662.74 459.83 3611.24 5499.91 126055.39 49593.81 7100.55 4796.74 89664.07 4626.74 265956.06 11013.53 33020.05 102880.01 10251.37 2975.32 528.39 5506.17 20911.32 9471.79 1166.68 1715.78 15241.57 4506.43 6106.51 2530.83 1085.6 1022.96 23870.57 41612.41 14044.63 31672.85 82969.3 46854.87 25973.83 3423.21 44910.07 1303.74 5040.68 28554.37 28633.85 28659.28 28598.85 28662.1 28658.61 28531.57 28530.28 28317.23 (E)-11-methyldodec-2-enoic acid 1020.03 7041.66 3272.49 6669.01 2028.15 5898.99 3820.86 632.97 907.93 1191.32 6234.34 4268.16 10930.54 11320.09 1921.23 2001.02 2143.85 7644.86 6602.71 9048.79 823.54 2328.45 2906.04 3215.31 293.85 1410.32 1242.94 2111.09 6261.73 1022.8 8992.15 6345.92 2071.84 2561.07 2923.25 3405.07 368.25 1164.19 3080.19 2491.91 6860.65 410.91 4685.81 3780.4 14603.65 10358.89 7737.36 5476.74 4006.56 13889.1 625.31 7891.26 4613.25 8142.04 1005.17 5283.51 2860.31 3468.7 2198.25 4075.39 4069.64 3111.82 1294.49 5500.88 4520.66 2965.73 1825.71 801.6 1012.4 587.15 1955.32 4526.53 4711.1 7241.79 6293.89 6693.4 7298.45 6793.78 7378.15 7344.12 7362.27 6823.28 6462.04 8780.74 Latanoprost ethyl amide 131234.84 28715.69 41985.44 119340.43 41696.51 17907.45 40401.93 58704.22 76732.87 38655.84 43092.69 28867.72 43222.87 29000.61 177845.39 47136.32 120534.56 25341.93 269565.17 38131.85 34698.38 7143.69 59259.63 41146.72 43458.23 12192.4 37952.92 18150.45 186679.56 4220.28 2481.62 39595.5 21457.12 36220.55 29634.02 49756.32 23341.09 6001.26 33974.44 8268.79 19740.33 37921.07 50567.33 17635.65 46972.69 31841.82 49443.96 12416.76 69802.82 47124.18 31016.66 35986.94 38296.88 36858.13 49676.74 36070.33 21499.6 20593.81 46193.75 6977.27 58572.11 32126.19 58747.88 44134.92 29858.27 40488.98 23872.56 40757.19 17229.29 54434.24 43879.35 175193.74 35678.65 33547.66 43555.4 42423.82 43652.2 43575.52 43754.23 42218.68 43615.94 42522.5 43959.05 42429.78 Nicotinamide riboside 2853.37 3975.56 6486.72 3564.39 2297.95 3358.17 4462.04 1857.25 5029.57 4403 5141.71 1825.66 2218.4 5052.7 6294.37 10328.85 6253.51 4243.58 612.87 7326.39 992.3 2710.14 1339.2 1418.17 2559.05 3304.6 1883.43 698.08 1309.17 994 1690.74 420.63 3289.11 1356.03 2844.13 1670.86 3247.66 632.34 2390.88 2994.42 6419.43 547.88 5798.91 3062.11 3111.06 4119.86 9965.79 1047.27 628.92 6833.58 3385.75 1655.71 714.16 1090.38 519.8 5192.28 14152.43 1806.21 3367.26 3845.17 5426.54 3531.69 5918.73 3279.35 2613.05 2252.12 1545.51 6577.06 2357.36 4113.54 6827.99 8103.09 5655.77 11963.2 5507.94 3959.15 1188.6 4265.12 3705.01 4057.41 3944.74 3813.23 4298.54 5252.09 4-O-beta-D-glucosyl-4-coumaric acid 14943.09 7746.43 2856.18 5972.61 2609.14 8357.66 5663.49 9795.46 3517.45 17273.86 7879.61 7037.34 2918.33 9915.31 3256.98 4313.93 11298.7 3772.75 10312.12 4035.74 12789.65 6349.9 6889.73 7271.02 15546.51 19172.35 7716.25 12737.43 12018.57 14616.34 10293.93 7159.02 14855.78 5021.47 7491.51 13612.43 17977.77 2742.94 12892.56 9020.66 8033.8 3701.38 13051.02 13878.1 6674.1 6019.36 3986.39 11499.47 12158.78 5068.42 16230.83 11318.96 9505.76 10196.62 18846.8 13057.54 2206.99 4696.37 1909.13 8749.77 8621.87 9065.4 13502.79 4547.13 10053.91 12884.21 7639.61 11491.38 12491.83 4109.52 18075.47 28483.06 8683.55 4938.12 7067.87 10006.81 9378.39 9155.12 9322.93 9136.77 9730.04 12441.76 9137.55 10532.57 (1S-endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide 11779.22 22744.01 20959.86 32184.87 8324.98 28916.15 8621.88 16243.52 21875.98 25683.21 26111.58 24269.65 10390.41 17605.3 18666.22 16348.33 29764.17 23916.14 29110.28 15883.92 20301.9 21932.72 19609.96 10049.03 20747.08 14219.3 18669.28 13970.74 11169.52 27460.39 13928.27 19912.08 24266.11 16607.27 25652.85 15346.73 31834.94 16769.13 18954.46 27892.1 13485.8 17773.36 23396.05 35287.34 11628.65 30727.67 22328.8 19072.88 24244.35 18618.65 18665.33 31407.5 18458.2 20439.9 24118.61 27302.03 24026.24 46172.74 16744.81 21548.89 23044.24 37748.89 14290.55 29555.91 34265.76 20339.58 24398.59 26853.06 37297.88 20392.13 19345.06 23273.49 33175.11 45223.69 24332.64 22298.24 22660.94 22316.19 21910.44 22286.24 21878.73 22354.15 21575.57 22229.95 Tectoridin 21642.37 26887.76 5126.54 46385.53 18969.9 50456.28 24528.96 10473.35 12840.86 17019.3 13794.67 34087.73 48307.91 79197.34 26859.83 17267.95 31775.24 55393.76 44713.41 33390.4 3045.59 5126.61 4350.97 4812.39 1316.94 2628.98 2666.25 1778.82 21153.49 11202.32 33632.97 34477.95 3936.29 6279.66 6779.4 2370.8 708.45 3619.46 4993.86 1006.24 18312.88 14463.88 3880.2 8027.52 17512.44 23634.7 10159.01 6416.57 14320.47 47650.56 20346.71 24601.24 10509.79 16761.13 7627.87 12515.45 3365.63 3034.28 3123.38 3803.68 3139.57 1376.58 9786.41 7463.96 8233.78 19872.84 54725.43 8997.8 6704.58 3113.11 9485.96 6088.93 5797.08 15323.19 9102.09 1780.57 2149.03 1995.19 2064.05 2187.84 2267.98 1996.1 1837.66 1830.7 1739.77 1205.86 1129.6 1501.01 1443.93 1482.9 1567.78 1465.33 1487.65 841.99 1597.61 1200.59 1406.78 1390.68 1352.81 1400.93 15077.03 14528.21 15235.83 14333.08 14944.74 14958.43 14381.93 13877.02 14543.11 2-[2-[19-Acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid 895.89 1134.22 430.37 1309.71 1057.38 1622.51 1733.14 2970.6 4551.41 1903.62 3504.32 4305.87 604.16 879.46 5972.4 5183.01 1690.62 11994.91 12091.94 14288.02 3574.92 2616.52 1303.38 869.6 2102.79 1236.31 445.15 801.58 6577.01 5470.33 2190.77 13459.03 4034.7 822.2 835.76 1513.77 3278.02 283.11 1023.91 552.28 1993.2 3595.78 1162.67 1949.5 5202.65 1210.31 1934.74 2825.28 5888.52 5655.41 1506.66 1105.67 2222.89 1553.71 2201.35 3105.57 845.93 1224.44 6432.13 928.23 1727.89 603.09 3859.42 4574.93 3839.73 1993.2 1123.39 2287.17 1751.68 2651.86 1726.56 3402.25 5893.05 1496.56 1259.61 2826.44 3548.6 3528.04 3546.19 3779.67 3825.09 3908.33 3553.51 3671.67 beta-Acetyldigoxin 7274.66 5753.66 4757.41 8690.27 7575.5 7460.13 10399.87 7714.2 8728.7 4433.21 7140.92 5111.04 3059.82 2703.21 5092.28 5105.31 4649.23 9862.45 2863.7 14585.13 8566.32 3823.84 9136.57 5619.22 5302.24 535.98 3684.16 5010.49 1130.39 5093.11 8274.68 3435.76 4915.58 8764.92 5776.07 1498.57 8024.82 2980.03 9464.3 4688.74 17008.8 15869.55 7521.18 6911.78 14041.63 7524.8 1909.55 1933.05 2474.22 3989.22 9802.64 7949.01 6066.63 5893.51 7576.33 3374.51 4577.9 3640.17 6825.98 5073.79 9230.83 8353.4 8612.57 8333.67 5776.55 9377.79 12715.41 3399.03 6117.55 7188.56 6382.87 8653.66 6880.4 5752.02 8460.48 6842.46 6962.18 6698.85 6853.28 7222.62 7012.08 6985.1 7004.73 6848.58 Fluvoxamine Acid 15715.19 5306.29 1244.54 2026.15 38401.74 1855.62 3027.71 31667.99 27286.23 1910.98 2706.84 4675.69 1797.78 317.26 27916.5 4167.05 1827.36 10784.75 20215.66 36192.03 16745.3 2714.09 510.17 633.08 13415.41 4458.62 558.08 1065.43 23721.39 7086.8 6674.02 1095.76 10571.95 420.33 1180.92 8963.42 18940.12 675.33 818.22 2522.75 3426.66 25338.58 2003.08 1481.65 13991.97 2170.54 44210.53 3510.81 2881.12 7027.07 3896.99 4806.4 510.73 978.91 11134.76 2765.66 361.96 612.42 22926.66 1339.96 743.36 263.38 9508.95 2776.01 14029.91 11315.26 4190.9 2105.3 6902.71 28813.93 26824.4 8592.02 28757.58 5227.75 1935.37 11455.73 11283.92 11600.3 12096.02 11144.58 11307.18 11434.79 11283.04 11564.06 4'-Hydroxychalcone 229388.77 69507.3 3060.17 18640.95 125718.21 22275.68 46269.8 287279.5 305212.39 154454.7 78177.78 191624.18 66755.44 84089.71 170682.13 142664.85 71534.24 202753.48 156373.36 346943.03 185297.85 745.06 29417.8 32547.96 200236.99 105539.22 49140.96 129615.55 229356.58 193336.42 234038.05 122455.62 88904.46 56461.54 26699.94 200536.29 175581.52 11964.31 66375.25 54481.56 290241.15 246214.08 40699.17 56628.62 246451.48 76517.22 375761.44 90858.04 193886.1 251860.95 117307.79 60887.35 37012.76 54958.35 152996.27 59458.61 8019.99 5511.96 177012.95 26734.9 41148.95 38683.11 66297.78 52711.1 123674.54 185854.98 152285.09 154864.69 186717.21 221192.27 262230.39 127273.31 193645.31 48846.15 86315.42 159471.75 159635.37 159048.77 160292.16 159047.94 159182.15 159633.61 156953.25 159044.12 Melilotoside 2436.88 3955.48 1377.34 2368.08 3908.32 66668.41 10415.6 2212.22 3636.13 7877.44 4161.3 2861.34 4742.65 4796.7 5013.95 2060.93 2348.81 4743.69 4798.54 6846.68 2249.66 14795.45 14487.68 1608.23 2987.08 4899.43 1462.74 2127.21 3058.79 1382.66 2716.77 6164.43 1930.08 14628.83 1390.28 1467.44 2237.65 3936.32 2418.38 873.12 11314.19 3162.7 1987.31 2524.45 5563.83 3389.61 3430.79 2114.89 2804.46 5024.64 4203.08 5633.42 2580 3244.94 2968.35 5833.95 1711.98 1552.23 5035.35 20368.49 2895.96 2502.53 5716.56 3211.22 3262.36 2790.36 6171.57 2799.32 2915.57 4240.16 2225.97 8841.21 3403.15 4396.91 5959.88 17330.84 14622.13 12434.02 14431.7 17244.75 12992.07 16216.3 15497.67 19251.1 Hyperforin 5938.24 6430.46 25535.73 6113.71 7562.24 812.93 3849.32 1933.64 2556.03 2607.36 23728.62 7236.57 13160.27 10443.29 26673.57 15711.46 23226.49 5382.51 32347.16 5700.46 9454.26 2858.59 35896.36 7019.64 2768.55 1832.1 11398.34 8926.27 4978.51 9339.62 4737.89 7587.25 8001.84 4807.99 15790.04 5625.23 12550.9 3471.79 9203.28 9827.19 4992.19 4307.94 29638.4 24000.89 5386.82 12807.3 11021.95 46801.86 8701.95 17352.17 8555.32 22449.3 26617.69 34919.79 10649.31 9530.12 20740.76 21828.23 23447.36 14171.29 15052.43 15303.17 18056.63 42005.38 48355.75 21365.16 12279.25 6563.45 10144.52 12946.43 8198.68 10363.79 19372.93 36595.34 27295.45 13726.11 13961.82 14670.04 13168.61 14839.93 14206.76 14776.77 13883.34 15018.78 Vatalanib 215572.42 242316.19 25367.1 165963.66 433027.25 235706.38 164634.4 477648 732813.45 149999.32 90826.71 325761.05 71242.24 73915.7 490925.05 342223.41 126865.78 570490.4 159645.52 947544.58 272751.68 82080.84 60463.97 117283.54 194124.09 277505.33 40905.9 85299.96 259919.48 157164.3 201622.23 157802.36 212276.98 97475.95 47091.72 349681.89 121270.13 12763.56 42981.14 48180.2 441468.21 265751.47 210958.91 209717.04 193825.05 84245.88 451579.29 189708.83 267324.23 281181.27 134139.53 163685.35 44690.36 168721.93 162328.46 121274.21 34541.7 46497.53 311453.19 100614.22 38574.37 37159.32 101495.51 289021.05 293764.95 183147.1 369306.82 127233.89 184583.29 373682.19 508452.09 153227.64 115478.79 69814.02 227887.4 276929.48 277393.49 274675.98 275003.07 272756.05 273635.39 275000.14 273801.56 271705.32 PC(18:0/18:2) 11743.17 4674.94 50575.19 6116.68 456.45 9359.34 3738.04 3608.54 4684.77 4580.83 3456.49 6662.31 2030.66 4621.5 9392.19 4168.56 24749.23 2987.1 3468.55 1229.48 3201.66 1869.13 1151.84 1903.7 4866.19 1877.91 681.77 2004.96 3190.87 994.42 3341.56 1695.49 7716.22 8016.33 8258.94 4500.77 4923.93 1034.86 1631.89 1583.74 1344.44 5170.39 3359.06 2668.81 791.7 1147.33 7805.52 6936.36 991.61 4397.59 5334.99 4672.43 5390.41 10989.1 28560.09 7607.26 16421.87 4957.48 8516.06 1462 6883.92 1310.11 10837.76 6933.58 3830.63 5762.09 2899.09 1700.96 2675.15 6416.27 2320.04 2867.9 4261.49 14022.41 2953.88 52809.97 82777.15 79392.39 41432.98 41912.56 13850.46 13248.47 701.92 74749.6 87264.09 100261.68 43732.36 32410.31 58672.25 144157.34 118819.88 123476.35 57917.37 115865.09 67385.65 101732.04 67751.48 114886.92 110944.27 68566.27 5704.33 5500.85 5378.69 5562.36 5780.66 5466.11 5570.74 5586.08 5677.2 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one 57184.78 23199.79 1599.11 12349.86 45131.62 10979.29 18524.47 90774.2 92701.1 43948.1 31636.27 58163.28 23472.28 26562.8 50883.98 35300.2 21031.63 49923.67 39754.87 89694.99 60684.01 11603.25 14360.87 15428.79 58296.83 19170.36 17594.37 41144.29 69917.71 49658.86 67358.23 38649.93 24295.14 7001.36 11875.69 68474.67 54017.32 6040.08 26363.94 18696.62 97033.29 76634.31 18775.6 21102.33 81459.88 27475.48 91005.09 26690.84 38853.86 53724.13 44787.18 28639.69 17159.82 17821.23 57962.28 22970.24 4241.82 6372.5 47909.77 12480.06 16742.3 15742.69 26110.6 19044.19 30565.22 61849.07 50036.22 38356.86 48971.71 70642.72 69258.65 44552.72 49788.54 10177.42 17487.5 51550.17 51725.95 51311.46 51722.99 51723.67 51313.52 51491.81 49981.83 51703.72 N-Hydroxybenzenesulfonamide 566.59 1568.23 992.03 1109.19 1122.55 902.8 1087.25 1086.88 901.92 1121.99 1201.14 1065.77 1020.33 3128.97 1274.43 522.89 1313.24 1071.44 1218.38 549.27 632.96 1982.66 2224.8 3105.17 2568.5 562.85 2839.74 4085.05 1817.5 1888.21 536.9 1126.37 2441.7 1022.83 1417.13 1239.9 1966.41 5956.22 2542.26 2429.48 1087.63 1023.3 2080.12 1306.85 1026.66 897.86 1238.11 1522.49 3552.1 1197.19 2289.79 558.65 906.77 1179.49 1029.96 847.6 1612.01 1238.84 1292.48 1331.96 640.18 1570.39 808.62 1444.54 571 955.48 1023.83 636.93 1297.69 1207.85 1083.65 2491.12 532.28 1136.45 627.72 1022.75 1237 992.62 1069.07 1079.56 851.63 1022.47 1023.41 1072.23 4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine 10302.06 6215.18 2313.84 4480.51 8976.08 7950.63 4507.51 8553.19 7378.1 6304.29 8086.3 9934.42 8522.81 8990.53 6033.31 7031.41 4975.46 9379.04 8356.96 5867.44 4858.2 4148.93 4972.79 3778.2 4823.53 5374.65 3222.66 4497.99 6988.43 2130.98 5873.3 12556.26 4328.81 3953.14 3562.33 6298.93 4205.37 2021.12 5103.37 3279.58 8843.41 9920.99 4456.17 7149.65 10221.61 8187.1 8875.17 5887.22 5957.87 15536.41 9397.42 7703.58 5552.89 5778.95 7983.52 7028.13 2354.29 3616.19 7292.17 4575.84 5901.47 5048.66 6425.16 5074.5 5218.76 10463.48 7006.32 5193.27 6613.75 5256.57 6523.33 6410 6841.87 6173.55 5866.7 2207.33 4762.82 1932.01 2748.34 1897.71 2959.99 2928.16 2958.86 2051.51 1654.77 1947.82 2629.54 2687.98 1103.19 2837.78 3017.71 3871.05 2890.53 2813.62 2813.93 2916.16 1113.1 3026.22 3169.24 3230.37 8368.22 8232.17 8414.74 8977.12 8390.02 8330.89 8235.45 8414.2 8407.99 Irisxanthone 852.14 2389.55 26643.52 8041.32 2169.32 2288.88 1148.01 790.62 884.9 2282.04 1453.66 3494.35 2087.06 293.82 1807.66 419.74 627.45 2970.12 403.12 3151.36 1369.83 27869.81 1691.95 1015.21 1900.7 1126.91 323.28 1374.59 2271.39 849.14 2185.13 1103.24 2570.16 46204.75 946.99 1288.85 488.65 28429.33 914.91 634.77 3404.98 1780.79 1896.65 1409.12 2357.93 3767.19 3114.38 8966.55 1910.7 699.76 417.19 6551.28 2298.59 1701.52 950.73 2899.45 31088.64 35135.67 1738.11 7918 2550.11 7199.47 1774.88 2731.15 1672.13 4962.81 1421.99 1281.96 601.79 2329.42 2367.29 3323.49 265.38 8032.58 420.66 7483.34 7097.79 8080.76 7825.98 8185.02 7601.36 7430.18 7205.77 7135.57 (1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-[(2S)-2-isopropenyl-5-methyl-hex-4-enyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione 3433.38 7429.88 2964.97 2843.1 8615.81 2435.09 3828.01 18724.21 7525.18 3422.76 6228.97 17821.6 12913.17 4704.39 17261.86 1657.31 12252.05 8876.01 30850.34 8131.62 8968.22 4812.07 7545.4 3126.06 5437.54 2810.99 3842.77 1209.29 20293.6 1261.99 636.29 5941.01 16477.14 4415.66 3415.84 11269.9 4646.67 1209.31 3740.5 1231.36 515.32 4771.29 7202.16 4021.03 18765.8 2784.64 12827.88 18190.04 10075.29 13141.18 11315.15 19234.69 13707.73 5755.86 15505.26 10680.92 5483.06 718.32 23046.49 5103.13 15079.09 15596.58 14624.27 21229.47 10130.56 11035.22 8905.34 1915.84 3242.13 24034.55 12165.16 5544.75 10921.81 5700.47 8384.72 13643.71 13420.67 13327.16 13340.97 13841.15 13004.77 13650.18 12093.5 13779.12 (-)-erythro-Anethole glycol 2-glucoside 12389.89 6729.42 2583.29 3417.86 31048.38 6610.79 8217.17 13647.62 2873.56 8648.64 12634.31 34503.85 6793.07 21434.73 3807.2 21320.85 12228.69 15994.65 26804.59 3947.96 11519.1 6152.23 1544.15 6766.89 12940.54 3707.3 2518.75 3380.61 14201.21 7224.1 4218.83 23834.49 7107.83 3481.72 5840.18 9794.8 16597.01 1326.75 2470.98 5605.07 1767.99 12230 8514.87 9490.56 33247.19 20976.41 11935.22 8398.53 28704.46 19835.08 15419.71 3902.81 16150.3 10254.54 12976.45 9553.66 3383.46 7246.62 20259.13 10911.08 15470.14 15639.87 7929.15 16493.47 2880.69 24605.87 2034.68 11344.83 13931.14 18537.63 3340.24 12744.86 11104.34 7307.88 10941.13 12131.88 11152.72 12199.33 10878.42 12648.82 12359.12 11467.61 12211.45 10483.9 Bifonazole 5232.82 2923.66 1566.45 2892.88 1750.62 1620.19 5766.84 4389.71 6119.42 4927.79 26679.52 22712.03 32549.31 20688.55 6067.64 7722.29 15412.95 5856.45 12213.86 6675.28 5887.33 3043.51 10595.43 12849.3 3939.63 4723.18 5186.47 14575.24 4179.94 7489.27 3386.59 5977.05 2945.31 10878.75 8741.35 4025.64 7682.89 529.55 16588.25 5093.55 4693.48 3490.43 15067.33 22831.29 4565.62 19177.06 3818.97 6952.99 9139.97 7640.86 4764.26 13104.22 21223.94 16086.23 5398.88 2753.02 4897.3 2266.16 2887.73 2453.39 17306.13 9842.05 5753.61 9489.84 6846.29 10294.88 5418.79 18283.71 17263.15 5914.87 4757.69 9605.34 13893.08 4998.04 16125.48 7786.45 7046.46 7384.92 7215.95 7130.29 7632.02 7613.35 6960.37 7083.54 Kaempferol 3-sophoroside-7-glucoside 36635.82 19478.34 3933.53 5064.21 4110.48 20976.79 1921.63 14131.32 50486.76 10471.07 6760.41 949.13 589.14 3206.51 85089.88 12909.33 2890.66 18055.03 2840.78 54336.84 8762.63 9511.92 2421.03 1343.18 8228.46 19930.95 2764.43 1940.36 8799.77 1927.51 4547.9 2829.24 17108.6 984.86 2185.56 3336.22 48913.65 6309.29 2104.13 7573.3 5697.05 15661.01 3081.33 4433.61 7085.84 5391.52 20133.87 5322.35 1402.55 10870.24 7375.75 15797.77 1925.43 6046.29 17745.97 39311.89 7071.4 5978.78 26223.65 17832.31 4026.72 2351.1 30107.97 17864.76 13792.12 12778.81 69599.73 6664.98 6278.16 28864.39 54616.91 16266.33 18016.09 11419.79 17406.2 15594.35 15229.8 14641.63 15156.05 15194.89 14601.91 15151.65 14642.18 14717.83 Robinetin 42613.16 27690.79 32420.95 29639.66 31426.9 15966.93 27430.54 35284.2 40040.24 30412.43 13528.09 76691.81 36581.26 31531.17 28338.07 26565.88 28194.9 72261.94 40315.02 60687.78 20912.82 15121.67 27922.85 24548.84 62326.14 17020.62 19828.77 26860.09 35063.47 39630.33 16594.14 26887.6 26673.93 27337.98 23163.57 70077.23 24697.38 4507.82 25435.32 20245.64 42767.57 20505.66 35179.9 26937.4 33932.45 15167.91 35423.13 75231.92 15040.85 22735.96 21486.09 26840.07 29281.66 19044.22 28860.91 23885.9 26383.91 24558.01 24366.16 27761.86 24558.33 35614.45 61952.61 25103.92 27675.77 34262.32 24527.78 35509.83 37248.01 34789.88 22928.84 23890.88 11469.67 17873.72 21330.88 29508.03 29507.81 29506.98 29282.09 29296.52 29507.59 29394.01 29310.57 29281.46 Zinniol 15596.31 23756.84 13478.12 22546.46 23333.77 28295.68 23888.97 26165.4 15593.97 23952.81 23372.6 8627.86 26656.01 20805.01 18933.97 12253.92 17126.5 19332.04 20258.6 8712.03 15762.16 27295.78 24041.9 14368.09 19388.59 17144.79 12738.92 12417.82 19359.31 5017.8 17308.63 13946.97 13082.82 33315.94 23571.38 13076.36 20040.78 14366.59 20298.56 11833.99 3796.41 13458.96 23828.56 19012.5 12958.81 16149.02 12950.14 22132.27 9243.55 14009.1 14717.58 30266.97 24513.42 21619.08 15450.16 25474.41 13354.68 16644.89 23207.52 28586.86 22896.5 27175.41 19566.64 21968.88 15145.72 21623.68 15205.01 29822.05 13587.39 13174.9 13353.24 22277.58 14240.83 20477.89 21695.24 6936.25 16150.13 9174.22 9762.98 8149.91 8580.56 8716.69 9493.18 10021.44 6456.86 8586.65 8748.95 7617.61 7313.2 8697.8 4835.14 8740.79 8127.04 9357.59 8531.19 9071.88 8077.07 7539.42 8991.3 6764.57 16829.41 17238.99 17284.39 16507.43 17248.86 16651.76 14055.19 17676.12 17053.96 alpha-Peltatin 791.23 1887.5 909.95 1458.76 843.42 794.9 3063.16 3057.94 326.68 1964.36 154.86 563.82 1934.68 460.31 5399.97 1545.19 164.48 2924.56 790.99 414.14 296.05 955.47 791.99 1468.58 265.91 1268.85 955.58 794.08 1314.88 887.93 710.6 1475.8 1747.28 728.9 142.26 211.67 984.92 495.11 717.95 581.73 668.93 1378.68 272.15 579.3 1579.83 752.97 1111.95 6095.6 823.32 1190.92 1171.23 1335.07 216.94 1537.03 665.67 668.83 466.5 1334.97 3197.47 6986.59 989.87 1923.24 824.53 1387.1 1900.64 1008.23 377.27 1703.96 745.99 2177.47 3560.14 339.77 278.32 3293.49 3176.59 4628.85 4603.74 4526.51 5155.91 4553.26 4497.72 4490.87 4485.28 4455.72 Prolyl-cysteine 9448.99 9507.99 825.83 1802.48 5847.2 5371.3 4076.84 6906.52 7959.42 2056.12 4626.54 2940.68 1741.04 1953.51 7049.46 6224.96 3468.8 6968.51 4986.58 10925.59 3187.63 1163.06 604.35 1554.88 2578.71 5474.3 715 1686.99 4485.53 672.02 3340.72 3883.75 2356.55 734.09 1494.32 2493.5 3566.92 458.51 1817.12 1216.38 5371.75 3996.28 2748.91 3386.69 6881.72 1932.07 8169.39 3894.99 917.88 6732.3 2631.81 3345.1 2474.57 2604.65 4477.03 3522.35 1373.64 1654.48 6204.85 1859.6 3535.57 1828.19 3167.55 4045.63 4190.09 2559.22 6568.28 3030.25 4500.85 6864.34 6572.84 4160.53 4659.08 3964.24 5196.95 9200.84 9896.13 8808.43 9614.19 8272.8 10070.66 10564.43 9899.6 8810.14 5beta-Cholanic acid 4751.48 4125.66 3109.47 8451.01 3664.36 4779.38 5869.33 4427.41 4191.39 4639.93 5700.65 5431.71 4063.31 6201.2 6738.78 5315.02 7146.89 6062.48 6614.1 4508.37 3661.97 3691.92 3824.94 4634.61 881.01 2989.13 1494.24 4103.71 4577.53 5942.88 1222.41 1565.66 4108.94 3998.48 3815.88 2083.05 4395.5 2140.06 5033.4 3703.47 6682.6 4111.06 5594.46 7197.88 4836.24 7191.72 4661.67 1873.13 3976.8 4700.98 5364.59 4561.18 5313.04 5739.32 3916.63 3731.93 3860.5 5031.63 6075.79 8364.48 5779.38 8916.88 5017.26 6579.59 7263.62 4964.3 6003.71 6759.99 6011.99 4530.5 5243.67 5851.49 7272.73 6836.63 6836.96 5778.41 5688.09 5652.35 5716.13 5714.92 5445.92 5630.31 5701.09 5796.26 Glabridin 1163.13 2594.79 1254.22 897.65 3930.15 748.12 3312.47 4128.7 1086.88 1620.2 3401.56 2244.09 5402.38 5096.41 3428.03 12120.82 2402.12 1506.91 4813.42 5485 2769.42 3072.36 3567.81 5061.25 1878.94 645.08 2000.5 2061.93 3423.63 3766.95 1472.63 6563.77 2184.2 2525.56 1551.26 2369.18 4459.25 741.94 815.24 304.68 1851.82 3903.79 3185.13 1805.61 9090.79 2578.17 2908.83 3674.59 1293.56 2472.69 3602.38 3834.68 3179.29 5757.36 814.76 1689.4 887.7 3297.07 3650.31 3829.84 4918.15 3168.49 2931.57 2760.47 2717.2 3703.25 1679.79 865.09 1069.3 3264.45 734.22 3218.73 5626.89 2231.51 1459.57 7226.23 7612.58 4295.51 5481.54 6849.69 6419.78 6316.87 6103.05 6336.04 Ile-Leu 5820.86 3263.71 1850.01 1577.06 3488.78 707.27 5349.5 10920.91 13531.2 4000.28 5078.25 5075.75 1091.16 2612.38 14729.59 3509.74 2225.39 2847.23 4102.29 5538 1918.29 2841.09 2428.33 1819.19 3822.93 2374.2 1796.51 2489.29 4867.4 1771.96 2390.6 2408.7 1688.65 1152.41 1773.74 3214.58 4034.23 865.57 2660.39 1431.65 3821.28 5360.12 2856.37 2278.44 1894.55 3665.61 5294.43 622.61 1895.87 3121.08 6267.83 5020.16 2934.46 1234.15 5139.06 1984.23 2881.82 1653.72 8245.03 436.62 3838.13 6492.55 5465.41 6569.02 521.42 7476.97 4650.43 2774.95 2943.84 6619.25 1109.69 2957.68 2288.44 693.32 688.87 3654.33 3702.75 4090.94 3619.24 3532.01 4076.05 4003.35 3869.79 4345.71 3',5'-Cyclic IMP 27204.14 60961.09 89831.06 34043.69 33760.64 32845.28 21652.37 30748.94 32059.68 37089.33 32078.45 86526.53 21679.27 28552.96 21059.01 47033.93 68554.76 33102.92 34922.02 18165.83 22469.42 16131.33 14970.25 18147.42 17493.49 10271.98 17549.62 10647.84 5959.4 16736.35 8385.83 22765.76 13486.61 21977.3 47532.11 21479.37 25530.81 14025.77 21943.83 17793.48 20916.39 43490.44 27302.82 32000.27 48444.63 39851.14 20595.46 23097.41 21230.1 25739.26 13271.51 30663.81 26376.49 63773.14 34446.6 18691.22 58231 68481.66 25997.39 31878.78 29902.49 18996.52 33133.57 30815.92 13291.18 10950.64 22624.91 29329.21 17330.22 43888.25 23190.08 37103.97 62229.96 64473.49 32349.51 38572.66 36512.42 39870.28 38351.4 38635.16 33479.55 38461.91 37624.55 38653.34 2'-Hydroxy-4,4',6'-trimethoxychalcone 10169.66 30525.89 1154.09 4379.44 44403.84 27102.72 14240.35 48254.46 32175.91 47690.94 10641.62 18524.26 25611.07 4482.51 41934.55 9879.55 13839.33 32249.84 42179.33 96857.1 31326.08 1880.9 4942.28 4454.03 19186.72 14149.18 9432.26 11603.03 39671.07 3901.61 1174.81 11156.58 19112.26 3446.14 4192.27 25464 15405.43 3071.46 4894.75 7185.87 15643.21 13503.21 3979.87 8034.35 35403.19 22145.26 17579.05 18932.36 2552.8 20917 5092.31 12851.31 1823.58 8554.02 13007.6 30690.32 1949.84 3741.07 44248.84 1396.84 7025.21 10440.54 17061.43 19049.2 25818.29 21286.41 23581.17 36325.95 9454.85 73680.59 82725.25 23693.14 4451.51 3655.56 13644.95 1964.45 2999.28 2181.58 3075.78 3293.08 1768.58 2045.6 1348.58 2012.65 2100.18 2237.24 1940.4 2164.09 1247.49 1303.95 1921.48 1010.22 2098.7 2010.62 2101.94 1599.72 1819.69 1828.77 2077.22 31048.34 30950.89 25204.15 30299.25 30325.21 30312.27 30951.93 27806.68 30528.61 Ouabagenin 5791 6090.44 2965.86 3242.38 4143.69 5120.53 2924.18 5728.26 6383.89 3266.65 3289.56 5083.4 3773.38 3918.11 5053.75 4323.69 4173.74 5666.91 7174.74 7905.7 4275.85 2130.7 2087.45 1454.21 2720.49 2224.45 968.63 1819.49 2078.6 1896.88 1872.76 795.61 1246.28 2703.62 1224.6 2510.22 3589.93 868.53 3285.9 1132.5 2989.53 4562.88 2834.12 1023.68 4358.98 4957.99 6507.09 3559.21 2097.42 5664.76 3752.62 4662.21 3143.87 6189.98 3181.67 3272.32 1152.91 1529.94 5179.48 817.42 1742.3 2168.09 2163.84 3578.53 3683.81 1843.09 4108.23 2197.82 1877.78 5008.41 5421.84 5769.25 2240.58 3722.21 3352.93 5349.61 5134.96 3623.97 6350.58 5141.49 5120.51 5075.79 5777.4 5438.47 3,4-Methylenedioxycinnamic acid 12812.08 4583.26 725.3 1776.55 6290.85 4586.27 1672.98 7578.43 15535.67 8947.69 2594.54 2677.19 4028.94 1488.41 8605.74 2048.61 3659.44 8983.06 7527.02 14356.19 12620.54 1527.39 1406.17 1386.35 7517.75 6745.47 2256.02 6681.26 7573.81 11599.08 7336.24 4530.93 3747.3 1934.19 958.25 6511.06 7220.06 3522.12 2142.22 3300.56 10952.57 11623.76 1791.51 1499.22 16166.85 3288.46 14655.71 3414.01 10766.73 7008.78 2661.02 2711.1 1815.17 2563.6 5268.88 2959.55 1482.98 635.11 6239.56 4041.17 828.64 1290.78 2739.79 3549.46 6558.41 12233.78 9305.83 5442.33 6809.65 11748.88 15391.12 8491.95 9120.7 1669.06 2023.66 7871.25 7498.03 7509.42 7918.51 8028.09 7914.36 7934.8 7739.59 7164.99 Santin 8772.58 7742.63 7582.31 9456.72 13817.81 38952.6 7938.8 10219.18 10024.52 35382.8 23046.67 10896.25 6070.55 2993.76 4499.62 12451.51 8902.57 6661.06 5188.36 107806.05 7630.67 10384.09 10894.64 26497.48 1331.81 5287.23 6827.24 11972.36 4138.21 3822.73 4856.69 11740.53 3923.93 16948.73 8851.71 2690.56 2393.18 6636.09 13117.67 5201.95 4077.32 1731.37 5784.23 6875.57 5551.45 5751.2 7501.9 7246.79 11189.74 16613.63 4552.03 8289.47 3020.16 10486.25 6388.23 8122.46 5142.36 8859.87 9992.95 31969.54 16342.77 14589.96 6946.54 11726.57 15167.08 3078.46 10935.18 2614.34 5113.3 6656.04 6978.49 39203.22 13689.77 14344.21 6944.79 12466.92 14400.71 14085.42 13958.11 14468.61 14684.1 14486.75 14060.53 13932.51 Monensin 3801.24 7663.94 2472.58 10208.5 3059.22 19259.14 14029.17 12669.98 10487.57 6583.38 13989.03 11451.13 15996.15 12465.98 11822 9182.83 8985.62 9596.67 13319.43 8295.34 5742.76 2866.18 6026.82 6443.4 5083.72 4487.76 7109.44 2431.44 6950.05 4627.51 8897.03 9501.76 3958.54 5584.76 5164.53 5551.89 5277.63 2924.8 8111.75 4361.89 10722.86 7984.97 6039.05 20831.45 11655.92 18440.32 7726.53 10334.61 9668.55 17266.95 10348.05 4835.07 7700.47 8643.38 9481.09 8978.63 3466.5 6927.53 6904.91 7652.49 9860.57 9883.74 11255.58 8799.91 8457.22 8054.86 10549.11 13536.88 5598.57 23183.44 18330.91 13489.84 13580.51 12763.61 16396.01 13316.3 13326.44 13360.42 12465.83 12463.01 13356.55 13942.47 12701.26 12776.47 Latrunculin a 16505.17 648.42 651.81 353.76 14451.76 4552.92 747.22 15246.02 35092.98 2913.32 1478.28 15417.8 2661.98 1047.53 23390.13 11269.82 1813.27 19823.77 3524.86 837.56 8280.85 2446.25 600.46 1596.86 32362.96 8450.52 263.75 394.76 10924.58 7680.2 10898.81 11898.36 2976.7 405.51 770.24 5846.77 11393.06 941.89 2406.99 3264.11 33365.84 11965.46 450.6 1506.78 13256.62 5138.81 6571.04 3202.65 6659.82 18872.53 20799.27 700.2 818.14 908.32 20489.53 4100.75 1015.88 1668.16 11576.91 2475.49 336.09 2154.6 1679.76 3116.43 5106.93 19531.42 2749.87 1832.61 2511.15 25064.98 14381.16 9340.74 1586.75 591.36 1532.98 7952.56 8011.3 8231.51 8456.1 7925.59 9024.03 8384.53 7263.8 8392.78 Norethindrone acetate 43735.07 83540.98 67879.75 77338.67 50510.91 42320.62 52221.83 56035.34 56299.76 80582.41 56202.53 47355.74 24560.03 61375.56 45152.71 45919.72 96004.16 43009.9 57544.06 35311.71 65896.53 62725.51 47800.47 98200.96 72871.06 39457.59 39659.66 66497.32 72168.19 103884 44961.96 32110.84 58231.53 55134.23 67400.65 54074.71 62509.79 31268.22 71838.49 67384.32 30567.86 29182.77 55408.75 92936.49 46300.07 41945.2 50095.78 56901.18 53164.52 36678.8 49659.42 73280.05 67870.68 33628.83 42471.08 42022.48 52640.78 77262.07 101954.76 44394.08 92933.81 62056.96 71434.72 52384.35 75769.95 20819.91 43870.47 61984.12 54873.96 51088.55 59074.7 79997.01 51000.49 55941.24 53133.24 43001.84 41301.61 31635.41 42783.28 40833.41 42287.38 42802.66 41247.76 43082.14 Fmoc-L-leucine 17488.29 7183.84 2672.82 5478.4 14319.33 7286.49 19237.18 39910.98 21752.38 9290.25 12632.78 10080.92 3332.19 5849.81 50205.52 16013.38 8984.84 16592.73 1013.95 16660.27 7721.77 3390.9 2433.69 1926.99 8142.18 1327.22 4083.45 856.31 16710.55 4711.14 1682.47 9107.96 6169.51 5142.28 2568.76 2817.34 6030.68 494.38 8056.83 844.85 2100.02 1614.98 4504.06 2411.52 13786.25 18172.58 17558.08 6166.16 847.81 5134.23 20349.77 15085.56 6711.69 10676.95 17536.81 14639.1 1691.22 2922.43 26420.51 2722.08 9934.27 22004.35 20607.79 23666.02 8674.91 22812.79 6534.33 7167.15 6564.26 21013.39 13531.41 10162.61 5276.39 7280.7 8510.29 13584.01 13709.84 13807.4 13580.95 13815.83 13796.38 13487.25 13630.89 13801.56 Tyr-Ala 4809.31 6721.83 3643.59 7272.96 6070.71 11076.26 8446.42 8036.28 7600.34 6925.04 6599.14 36477.91 10285.36 7406.59 8086.16 8986.26 6058.2 13201.3 9898.78 15657.56 5960.23 5384.71 5171.94 4442.52 4404.06 4510.68 3047.48 3921.03 7075.46 4523.69 8139.43 6357.49 3953.21 4960.55 4270.12 14252.8 5377.48 2102.89 5412.33 3426.16 23161.23 8304.19 5951.49 7486.6 15063.1 7406.48 15339.89 7623.26 5542.33 9679.95 5817.48 8129.31 6614.77 8425.3 6437.8 7369.52 3557.59 4851.26 5894.52 3443.66 6190.97 6175.61 5446.7 6893.7 7153.04 8977.48 10252.21 6853.82 8139.62 7187.74 7202.06 9447.66 6549.06 5318.45 7999.11 9151.36 9153.6 9436.36 9044.94 8604.18 9048.9 8998.82 9052.93 9115.46 (-)-9,10-Dihydrojasmonic acid 14761.35 11883.44 16660.92 25084.27 25820.56 34524.65 37583.97 17998.39 21360.79 30697.24 23522.22 33930.21 33428.21 29699.62 21149.66 30537.38 28843.06 29167.52 41054.96 17526.8 12029.95 18210.26 19045.18 17604.27 9271.23 9683.7 6035.79 10564.44 19091.4 9154.71 6031.68 17293.22 9165.72 21363.72 10523.62 5845.07 13688.89 3130.64 22655.09 8428.12 37743.33 39117.13 17829.57 24362.19 21630.87 63324.29 14022.13 7641.63 18375.68 24154.33 13842.65 24061.07 20680.22 22730.41 16645.69 14995.99 9202.92 13700.24 18344.98 16688.53 22607.59 29028.22 15382.39 24119.1 19604.76 22792.37 17441.58 26674.37 18590.48 13865.72 12350.54 21714.21 23131.13 24507.98 25677.4 26548.14 28644.2 26424.22 28589.68 28462.23 28828.89 27320.41 26487.77 31958.39 Pro-Air 44557.21 42175.35 38798.35 71663.94 89980.97 106147.01 118346.69 66197.32 60433.49 69010.06 98428.17 117419.93 139715.83 72777.42 73210.18 112806.54 62580.03 58817.76 137598.71 46135.93 32745.26 8072.24 47520.6 45856.25 29150.91 35047.41 33892.29 50044.66 39821.58 47491.79 28707 72235.89 30569.4 46100.11 45732.1 33128.47 32501.37 26956.38 59201.13 31815.34 47040.55 56791.83 71104.46 63826.4 62468.33 97672.42 71674.88 75152.81 53090.63 117213.48 35928.14 42974.09 65605.62 74693.65 43777.19 46040.02 31711.2 43883.31 56091.73 6962.08 58396.44 58698.13 39850.06 94886.75 86425.01 63447.31 43479.48 83714.05 76496.26 56813.07 57110.61 82084.6 79012.73 95011.23 94365.27 72885.39 72904.38 73376.87 73933.24 73020.76 73342.44 73582.2 69844.12 73468 Rhodotoxine 434.87 4512.37 2727.79 4515.97 5455.84 12883.17 6858.03 1422.84 2227.51 5049.99 2415.57 1667.55 8541.04 2399.35 4764.7 2124.73 5050.54 6332.92 8012.13 6115.85 3207.49 4532.86 2541.05 1650.09 449.54 5049.38 912.27 1596.98 3842.71 576.22 3371.79 5000.53 2171.13 3482.2 1380.54 1850.35 4714.32 1312.03 1809.46 1468.04 3098.66 487.41 2388.68 4318.33 4874.99 4539.1 4398.36 2189.95 2379.3 1267.12 2052.21 5804.39 3880.48 3455.14 1752.22 4966.23 677.47 2129.3 2538.12 5555.46 1256.32 1995.13 3163.07 3388.31 3570.86 4623.43 7966.55 2159.1 2193.5 2455.24 2797.79 6100.27 2370.11 2859.83 3309.72 3197.68 5373.16 5799.58 7069.85 5245.04 5632.31 5281.21 5292.14 5981.7 3'alpha-Isopravastatin 35200.73 6453.07 6156.88 32199.24 22144.57 18865.1 54086.25 17512.29 27306.89 1815.83 19045.38 4295.03 49500.57 12417.31 8697.49 15687.02 4726.63 1698.71 28255.39 6851.74 8249.75 2026.11 6099.13 10001.86 10421.37 4655.24 21457.97 14167.49 3718.01 2220.34 8991.85 8154.55 2396.58 17393.15 5758.98 2097.19 2543.51 2571.62 21661.25 6172.33 33912.69 24676.69 7577.83 13505.11 28009.4 52498.83 10881.1 1928.47 27842.78 28380.67 25056.57 1138.81 8522.17 15589.01 34151.28 7742.03 4632.26 1298.79 7348.85 25857.43 13574.36 19364.51 16376.36 3819.23 398.39 27861.91 459.46 21242.16 4735.81 13079.87 3868.62 20928.59 6937.94 6439.39 25418.3 35682.31 36935.14 35572.43 35692.21 35552.17 35961.54 35857.68 35552.24 35728.67 Tralkoxydim 898.81 21810.39 1173.87 727.14 3374.51 20650.42 22971.76 10388.79 25126.35 29196.53 1263.15 3308.67 1911.27 1842.89 38850.87 67905.23 17661.97 18147.24 66524.52 22366.43 1307.77 8941.41 16170.56 3223.01 3696.28 22090.01 18965.94 416.08 48476.13 2669.34 1163.63 3165.34 16310.67 6906.64 5177.98 6086.07 1259.67 6553.23 2369.67 4845.78 2119.75 755.17 15550.12 555.22 75365.23 8156.11 23858.63 21635.79 10990.63 36063.79 732.6 23848.72 14124.74 7433.74 1010.13 19239.86 846.13 1141.33 654.95 896.84 9354.45 1044.01 21343.58 18322.18 14955.13 2566.32 16722.2 3487.63 2027.53 8587.47 11272.44 82312.2 22592.7 15289.37 15818.05 17683.72 17866.97 17547.02 17570 17563.44 17854.16 17938.93 17838.43 16779.63 Carbenoxolone 8688.95 6509.18 1977.28 4234.13 7152.6 8510.51 3289.12 11604.78 12558.5 5023.15 6288.62 6394.5 8108.09 3703.11 11752.19 4439.14 3648.42 8211.24 3501.97 8857.01 7371.59 3167.49 4323.16 1994.71 5386.79 4815.22 1489.64 2405.88 14475.62 3349.46 5680.74 4217.41 1351.75 2264.65 2636.55 3514.1 4611.4 733.55 3148.22 1513.43 10998.8 11070.4 3469.05 4164.2 10340.04 3188.55 25482.13 4341.78 2103.53 5553.02 6990.57 16050.61 5241.32 4047.05 6077.55 7091.9 1917.21 1574.97 8236.62 4731.4 3264.82 5964.33 6305.12 5246.93 3584.87 10158.88 12822.87 3209.84 2053.05 9051.89 8722.27 9321.61 3371.71 1815.53 2805.42 6851.83 6673.96 6862.01 6424.21 6716.25 6977.61 6772.18 6827.71 6683.73 Thymidine-5'-triphosphate 18984.31 9740.44 7307.69 4627.72 19966.03 33428.42 11390.73 11930.7 8570.19 21483.93 28083.31 22015.3 17135.22 23116.77 9982.94 17018.35 12298.33 16534.17 32768.48 9835.81 10592.94 12797.41 14249.97 12453.38 17748.09 12455.54 12941 15772.49 14890.99 3759.95 13674.28 8097.63 8794.21 10967.97 15203.36 13838.4 12878.55 9440.45 19313 15487.17 22579.6 29409.74 19085.35 17748.77 24104.4 7017.42 11452.32 25169.61 22847.11 34356.36 23304.69 16383.64 17818.97 20084.91 11185.47 16471.02 5018.26 7414.25 13971.58 26172.48 16797.79 23217.46 5235.66 7088.52 9277.77 21463.33 7741.23 17247.68 14719.4 9523.19 7795.03 22272.52 26082.08 17961.04 8497.82 18183.62 17278.41 18342.33 18269.99 18331.71 18223.73 18773 17993.17 18198.43 Olopatadine 671.58 791.13 2015.32 4059.29 889.54 2392.25 2500.25 1429.91 1159.08 744.38 2441.21 1681.64 4646.29 3116.78 1363.08 4092.29 3782.81 2542.8 5894.37 4880.5 746.5 485.83 3193.69 880.27 794.81 2944.77 1428.7 1176.08 706.86 1252.75 510.63 3621.4 558.18 1220.31 722.21 773.51 621.09 488.56 2154.92 1691.08 2233.15 1714.73 1556.44 3119.53 3221.36 2780.62 1946.87 1897.5 2127.05 4599.48 946.5 2215.31 696.85 3962.23 1129.89 794.22 1543.5 1877.5 1401.8 646.11 2280.44 2386.28 479.35 2273.22 3400.41 1688.94 1256.89 3410.37 2940.42 385.49 1164.22 3145.73 1565.13 931.31 3463.1 2698.93 2642.49 2701.25 2778.26 982.63 2473.57 2696.02 2398.24 2461.77 2-Hydroxy-3-methylquinoxaline 12569.77 18096.93 15416.07 16163.24 20412.41 56340.71 34660.96 25225.72 28279.71 22315.99 24173.05 34461.43 26621.98 15649.66 26065.33 38279.92 27976.94 28150.19 40085.65 47928.39 11797.67 13249.49 11349.77 9971.67 8454.83 7798 6065 9035.61 16158.67 6190.06 9239.61 29469.49 9669.29 15101.13 9396.35 8471.38 8405.03 3264.69 10435.66 5083.01 16925.06 22335.99 19798.79 20225.87 25691.59 23317.87 30178.27 27367.74 12892.32 36590.5 9394.93 23120.16 16898.81 18927.61 12197.78 24584.14 9948.65 13122.97 19270.88 21913.89 18758.45 39347.99 13010.48 27734.75 27322.19 20913.75 28123.91 28328.41 22861.23 22800.14 24561.86 32578.66 17707.41 28023.75 33392.89 28289.7 28272.46 28373.41 28299.74 28695.9 28681.07 28609.5 28119.76 28623.98 Mefexamide 4445.22 3056.89 6782.29 10067.8 11278.31 8649.7 17925.35 7922.32 10129.85 15209.92 20800.35 32843.65 25275 16152.72 5552.55 19758.14 12130.72 6484.21 29749.67 14054.46 6957.07 3590.54 16413.13 7614.37 4448.84 2904.92 4684.66 8665.48 4797.9 11274.05 4502.48 17657.57 2909.95 6339.34 6398.1 4438.75 5692.91 1319.47 14053.52 4840.75 11604.2 14185.25 11698.52 11174.07 8157.08 22839.94 10237.91 18536.57 9953.4 29236.36 4710.77 4785.18 12168.64 13774.21 10891.9 7484.39 7713.5 6846.6 9265.52 2435.58 11699.46 10721.38 4257.92 15284.04 11035.43 5694.59 3955.33 17009.78 13928.51 8568.46 7157.42 15378.91 14045.74 16017.47 15887.1 16466.12 13537.94 14191.23 13734.33 14241.25 13555.44 12077.42 13683.6 13913.49 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 4154.52 4092.41 4414.44 4046.3 2031.03 2491 2910.07 2501.49 2909.82 3336.39 2915.94 3417.34 2808.83 3718.69 3348.04 2287.1 2763.3 3522.63 3316.04 2476.45 3787.98 5108.82 4513.09 5029.6 4650.33 5210.83 6086.06 5347.4 4319.11 4305.8 4343 3851.61 4319.74 5064.34 7344.1 4652.12 5434.47 8332.91 6693.94 5904.24 3818.85 4161.88 4873.42 4880.63 3311.64 3591.02 3002.54 3429.36 4304.02 2478.71 4171.08 5620.97 4168.88 4638.18 3606.3 4744.65 5061.52 8280.64 4040.37 3781.33 4978.9 3955.68 4100.11 3629.87 3156.36 2848.06 3493.6 4677.89 4416.71 3459.63 3890.07 4278.58 3504.99 2969.98 3384.74 15117.24 15808.91 15197.48 15248.04 13260.09 14948.4 14843.49 12668.43 14229.27 15459.56 21176.44 14617.49 14128.24 12212.73 14672.1 27457.88 15220.69 14361.05 13743.38 16139.75 16015.7 14790.28 15599.5 16213.49 13846.11 7371.99 7641.33 7445.36 7358.94 7560.46 7465.19 7759.49 7492.14 7557.98 4-O-Methylpinosylvic acid 7251082.28 4359017.15 1312945.27 2076730.16 7123338.27 5632304.3 3980974.5 9062184.45 9037280.44 6718661.98 4563882.81 7275170.23 4089605.59 4535772.31 7771953.01 6106258.46 4133004.67 8122901.83 7366329.66 10517869.4 6927734.4 3253009.01 2174234.67 2360050.93 6799062.03 5178980.88 2943712.34 5127762.05 7998367.98 6014971.26 6994201.55 5444097.81 4953026.67 2114515.02 1842585.38 7094308.57 6790370.53 1621919.77 4008676.28 3374649.91 9673036.65 9566225.64 2976875.35 3866015.92 8667584.44 4955700.72 10273288.19 5500224.52 6175488.17 8112080.59 6358654.94 4075898.35 2783712.2 3782477.98 6864609.3 4709646.74 1162742.25 1487891.73 7756757.12 3432237.04 2685171.05 2478054.95 4797086.36 3787813.5 5664840.87 7812317.76 6986522.31 6204912.4 6572974.93 8069454.32 8797953.47 6152621.9 6942628.67 4736528.07 4704817.73 7181705.07 7188212.94 7188397.02 7171562.47 7198007.15 7236553.42 7169845.87 7089606.82 7168559.01 Vicenin 2 9404.66 1248.19 1596.77 508.81 7512.98 2251.52 5739.52 15763.79 16471.14 8424.04 13066.32 30387.53 6527.7 10514.77 3150.54 16941.38 12606.08 12326.58 15060.22 23250.57 3636.3 354.7 428.31 4321.07 9489.94 1545.78 4265.91 12008.16 15474.22 25306.62 8806.35 11379.07 4326.42 431.29 2666.83 11413.98 12304.53 1697.72 5536.98 5413.19 17169.03 13505.15 4672.78 7724.99 13386.82 11957.81 24180.61 10644.33 10755.36 30788.05 4204.93 1255.58 4751.77 8109.98 9138.51 504.43 1087.8 573.49 7624.75 2968.08 3070.84 1294.04 2164.68 7642 17568.11 14093.33 7942.81 14219.73 30147.02 11525.27 3215.18 8121.13 17476.03 8852.67 8535.07 13526.06 13277.99 13893.15 13015.86 13189.72 12998.07 13288.35 12765.03 12748.21 L-Dihydroorotic acid 11555.28 10730.56 4769.76 9406.56 3726.73 13468.97 13524.74 10960.34 4164.7 12402.46 17831.57 9176.56 6796.89 14401.15 18781.1 15089.59 10142.92 4773.98 11472.06 21144.14 28146.89 11286.01 13035.44 12095.75 8355.08 21833.41 15895.59 15824.93 7279.33 5417.66 13011.69 12185.61 9541.78 9162.54 7123.44 3071.73 8020.14 5154.62 12480.32 6250.66 2565.19 10989.77 5174.94 6412.52 7997.22 13995.13 9421.52 26926.53 16663.92 17602.69 5441.34 15886.33 12455.02 20156.25 2656.26 12797.56 4329.2 6872.67 13403.73 12824.92 6880.86 11538.95 8523.02 15054.22 14392.58 7249.1 12714.25 16389.01 10419.42 8056.99 16297.07 42751.5 12724.14 9235.58 10365.21 12009.92 10710.12 11445.88 10507.06 11724.33 9808.6 10836.05 10999.89 12547.66 Isoroquefortine 379.17 8368.24 2091.08 5603.99 4018.62 4790.72 4279.1 1071.53 657.09 19871 4832.75 5408.16 15529.92 4511.3 2515.81 4751.36 4967.14 486.11 6252.11 2270.95 452.74 321.24 5157.57 2550.34 1082.92 444.82 1766.7 411.36 1103.69 1372.16 1211.11 1844.32 849.25 3932.03 2086.43 646.59 1002.26 642.17 2269.21 1556.78 3697.25 2488.49 5659.52 3583.46 339.42 2883.15 2439.54 3884.87 3315.34 1561.54 433.38 18246.29 6591.03 5421.93 2944.48 8239.9 962.12 2739.41 2452.13 3427.28 5343.06 13454.92 2656.1 6207.67 4433.26 4785.16 1965.45 4531.23 1951.92 1624.5 490.04 16797.97 1076.49 13611.34 4046.99 6947.43 7067.64 6898.98 6936.84 6661.05 6789.46 7217.3 6672 6731.8 Rosuvastatin 6222.99 2633.88 403.52 613.07 1358.99 4095.2 1018.09 2117.96 9252.68 3702.49 1521.57 1935.91 269.14 759.09 5678.43 3127.49 799.42 1343.27 2880.77 3663.01 4424.91 603.16 509.58 512.59 5575.45 1643.71 541.88 286.81 4924.02 1358.42 3406.93 1051.82 1910.26 883.34 549.04 3466.11 1465.75 347.14 467.57 1895.93 4645.19 3687.85 547.69 1679.11 2122.4 415.39 10190.49 2673.3 1167.19 4848.99 1133.48 724.57 892.26 530.32 3130.42 2139.28 884.59 1310.87 4986.11 968.57 412.11 1044.12 2376.97 1261.11 3583.63 3995.14 2706.83 1224.37 7123.7 4032.87 7466.66 2242.92 3461.54 1547.67 714.65 4169.63 4167.42 4200.41 3972 3932.55 4139.17 3919.14 3879.53 4170.25 Photobarbatusin I 28001.63 26054.55 68492.77 87564.33 46008.34 1872.36 79142.79 39223.54 32440 74801.76 138748.85 111068.58 102360.28 102140.15 36782.61 92493.53 102865.3 38761.43 105425.83 26408.01 39122.26 19708 100110.41 56957.23 35229.87 22400.38 81435.01 118446.17 33301.48 66688.55 27573.54 97794.53 18458.34 73512.77 81209.74 35410.83 38759.4 7865.31 120599.61 61286 38776.25 66369.44 127569.64 101980.23 45463.22 63442.5 31930.86 103261.94 70178.14 82961.67 53730.4 54438.78 110207.95 116968.57 43555.2 23087.96 39115.56 73432.9 33207.48 19644.95 98977.48 94303.11 35778.96 87435.58 93292.95 41780.27 32235.75 106607.53 98906.37 41627.42 26659.68 102531.24 75448.16 99814.8 94756.93 64288.88 61670.01 61204.99 61678.98 60630.46 61668.42 60897.9 60925.18 60912.28 (5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid 36603.51 22221.96 18900.8 108532.47 13771.86 7205.32 48349.45 27354.01 28322.3 71610.89 37094.89 57020.81 50520.84 30900.2 48306.85 46187.62 43030.98 47343.24 60526.47 24767.74 9399.4 10858.47 11538.39 11617.59 14668.17 3944.57 7344.52 8036.39 14433.26 31965.87 10130.07 15378.47 14574.71 13253.65 23181.76 13311.34 17078.56 5337.26 14340.6 11397.01 37598.71 41365.43 21147.65 77259.81 20935.55 46472.21 40844.86 22361.27 14931.32 18562.33 27539.79 40842.99 21202.96 23606.33 31403.23 23808.96 20778.57 19480.1 62284.44 47779.79 37462.23 33496.97 68422.12 34722.56 31507.33 25691.88 38062.66 26141.94 29571.87 42398.46 50417.37 69452.78 43620.91 50391.39 26664.84 32714.77 31906.01 30996.42 32069.67 30661.64 25164.31 31104.14 30606.31 30508.9 Lobaric acid 2489.78 4688.46 1450.95 13470.4 2244.8 7539.22 911.57 3809.12 10232.84 4682.23 5189.57 14984.39 9790.6 30423.11 11561.95 6992.66 2000.48 13209.01 9708.46 15304.29 1283.54 713.48 1364.48 703.8 1087.4 444.08 979.59 1764.43 2547.68 1952.16 2072.64 5846.58 680.67 1445.27 699.38 2214.15 2067.98 1079.99 2832.48 1072.4 5972.09 9665.1 2090.34 942.45 10383.12 7675.96 3879.71 633.35 1405.85 3598.14 2468.94 5527.11 3929.46 2632.78 3703.14 7022.2 2780.98 2333.35 1124.06 2755.27 2254.15 726.73 3766.39 3975.57 2930.57 10874.74 16799.42 1114.69 4965.33 2466.99 5846.31 2778.67 3961.95 3983.81 4393.78 10070.55 7618.71 10919.93 7779.27 11161.22 7685.14 16557.01 2528.25 8429.27 11843.77 9989.71 15874.63 8294.35 5564.73 14507.65 4647.72 13715.39 11983.15 8030.66 8704.76 7506.97 11936.08 6995.96 11373.32 7300.24 7046.47 6690.34 7255.42 7141.93 6859.55 6676.4 6587.13 6984.96 5845.94 Ibipinabant 529621.89 553650.6 652652.94 494991.91 612500.44 205570.29 449160.72 853642.67 898097.51 660016.87 204074.37 893761.21 708400.56 606602.13 638081.6 549409.45 512276.92 895147.67 826631.24 650175.28 533541.97 319377.63 538365.21 481917.41 694953.61 301085.47 345073.29 572151.34 700856.48 436350.17 326120.47 479012.91 540101.43 515901.3 478065.45 819921.57 473532.36 75447.44 488321.76 372038.74 355501.31 336374.66 524790.4 417101.95 674923.57 284638.95 782143.9 757604.65 216105.4 374722.56 305998.23 405535.69 477145.62 255952.02 380316.02 439084.18 390936.07 417524.67 515515.18 204579.64 411752.93 583377.91 630685.64 437800.04 666797.9 577384 443221.31 805476.65 725124.94 765130.11 466228.72 396072.56 160034.66 268584.74 340130.35 526427.86 535567.68 527789.12 522762.12 526779.53 523311.79 529926.47 524160.68 525258.27 1,2-Diphenylhydrazine 48895.31 47023.1 42965.74 63966.92 82027.81 73088.16 124575.58 70758.24 68908.26 63164.27 103903.81 71870.77 89719.74 80964.05 77225.55 120937.46 80500.29 78241.55 136430.98 66183.12 44316.2 9460.65 73403.43 48184.29 35837.61 25935.17 28240.13 17799.43 50635.92 30405.23 36594.81 112911.4 34863.92 52815.89 44083.56 41178.69 41946.7 10735.33 56353.76 25639.58 63042.1 68131.44 75322.19 60672.4 67489.19 92356.38 64084.86 72827.62 35041.61 140787.86 49273.32 56804.71 67294.12 81582.08 55093.2 72448.86 31781.84 35794.55 60808.31 33324.18 59149.68 45631.35 47842.13 96704.54 73904.38 110372.2 64287.69 65230.06 65506.47 65646.5 55995.9 84224.51 74541.97 96420.7 98523.74 56384.92 59405.25 58462.5 51615.15 58333.08 56679.16 56526.84 58162.13 57212.03 14,15-Leukotriene C4(ExC4) 3000.56 717.02 1135.02 4740.26 5144.67 8094.41 393.84 5263.17 7859.86 5549.02 2712.59 4305.15 4069.43 12202.98 3110.06 398.4 1866.14 711.85 4367.52 3437 10378.78 8679.56 2882.64 5117.14 5398.79 8116.23 10690.28 4489.96 3127.53 3829.62 905.53 3647.19 11097.1 9098.05 12779.52 10640.28 1428.56 2233.58 2674.38 7291.07 1376.69 3566.99 2852.24 3107.54 4676.58 3528.36 10083.56 700.88 3638.52 3942.08 4521.43 841.31 2714.3 1037.59 6548.68 3053.52 2176.52 8502.6 2879.04 1504.5 2137.69 5439.08 4045.7 1183.92 4371.02 481.02 4287.55 816.32 3723.66 3004.66 3715.45 4041.65 816.21 3099.12 582.52 29661.84 13781.79 29969.45 18684.65 18117.09 12906.87 15748.11 9537.91 13740.02 15029.52 23235.02 15289.14 27822.84 30968.36 36497.84 44625.91 31011.1 19447.38 19832.52 31591.63 28008.14 22889.45 34964.21 24383.74 39948.3 5118.64 4736.54 5118.68 4542.73 4691.48 4771.23 4666.58 5034.92 5032.93 1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole 1836.49 2060.36 3747.13 2474.39 1701.2 3763.22 2627.92 2155.72 3602.12 2252.83 2839.56 3674.62 3403.99 2914.4 998.18 2827.41 2976.28 3219.05 2575.06 1637.87 10522.45 4987.56 3099.62 3501.51 9390.53 9209.02 2444.07 3303.18 10437.44 15096.8 12566.16 7193.87 6477.54 3378.6 3258.64 9881.11 12464.65 2835.43 2933.81 8288.78 5169.21 7506.93 3374.96 3092.42 4981.55 3332.02 2192.37 2608.83 1863.67 1955.88 4732.73 1931.94 1828.16 3564.02 4101.39 4468.99 4421.29 3899.91 1794.99 2307.54 2514.1 4782.19 3734.16 3140.12 4931.19 5301.53 1132.46 2830.52 3853.68 3826.88 6169.22 2430.48 4316.93 3335.1 3130.23 4105.79 3319.33 3295.66 1268.73 5454.75 3482.18 789.15 5081.92 6240.16 3360.15 5341.66 3593.27 2512.63 3162.4 2473.22 3719.75 2083.47 690.15 5558.63 4859.74 960.37 3823.82 3514.29 2394.97 2414.5 2229.09 2111.11 2140.76 2422.31 2055.91 2412.63 2613.13 Lys-Asn 6203.52 9341.96 1644.13 7871.04 2102.66 15518.26 7384.03 10862.4 21011.04 14167.38 8051.31 5878.49 1566.96 4520.35 33813.54 6266.22 5910.44 20636.43 9601.76 26707.83 14886.67 5273.97 3098.52 4759.14 21547.98 11352.71 803.63 1153.49 8507.47 1864.6 18779.02 2860.32 10068.25 1476.62 1667.65 13342.87 20528.89 3476.38 4824.7 5546.27 18321.97 18072.24 8511.35 3598.7 17448.3 8167.91 15594.84 7788.35 2910.22 8347.12 2667.26 10171.52 2859.4 2830.95 12112.16 19599.7 3292.01 8874.58 17984.12 2307.54 3293.39 8828.22 18942.54 11740.3 10882.9 22229.82 24091.23 4456.92 7125.61 9524.38 16989.38 14301.2 12257.13 7252.4 9447.15 16856.58 13776.43 8295.75 17395.83 11708.68 8655.6 3973.82 15830.56 7309.38 6777.59 3656.42 4556.74 11354.71 16593.52 9564.13 11572.4 6608.92 14242.47 20792.95 15057.99 18646.35 13143.1 8898.8 8919.02 9878.99 10080.19 10033.16 6329.95 9811.34 11618.23 10187.87 9435.44 [4-[(4-acetamidobenzoyl)amino]phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate 6994.92 2231.25 934.23 619.13 1307.73 554.96 1188.87 2651.09 2205.88 5337.3 1824.31 7236.16 2509.92 7752.64 15966.14 1084.53 784.93 36335.59 19647.07 2643.31 6825.92 5292.3 4461.84 2041.27 5055.17 1653.91 962.34 2126.91 8842.59 5750.83 1914.14 15146.76 5540.22 2882.99 480.06 7228.93 4654.77 800.84 986.51 472.35 1626.57 4761.08 4516.47 2298.6 13542.1 983.8 3460.92 1190.56 8237.89 4329.69 7904.74 5552.1 3816.33 1296 5010.29 4139.15 666.91 512.37 10074.95 1852.91 1489.9 1453.7 2093.25 1600.35 1521.74 2976.5 972.76 2246.33 1703.58 2728.02 1255.09 7941.49 3348.51 956.44 1387.58 7443.14 12083.7 6342.08 6883.36 4769.26 7144.46 7408.4 6923.38 6856.89 6958.99 5621.33 6701.65 8078.37 6853.82 6587.51 5419.31 7606.17 6561.2 6997.27 7450.83 6759.73 7069.72 6885.99 6735.3 7424.02 3462.36 3420.6 3740.39 3749.03 3243.1 3672.6 3463.32 3640.02 2914.2 Colforsin daropate hydrochloride 24077.19 19360.9 10304.01 15031.53 7511.01 4942.68 2521.05 16649.72 5998.05 28921.22 22314.37 14251.81 5242.3 26670.4 31438.34 5175.81 23678.87 11547.98 7980.75 8977.65 12508.64 24138.42 6629.5 20092.79 13478.73 27798.23 19953.69 23156.75 7800.3 16062.34 24404.35 8220.72 5927.77 15707.5 18794.98 7827.46 21770.05 14891.32 23945.44 27388.52 17432.4 14043.54 18753.48 39635.76 5787.84 9898.34 11808.02 5454.85 7640.85 8673.29 13314.85 9777.64 7434.76 18641.34 8993.3 30255.78 19516.47 22718.42 21416.9 37223.35 23209.36 30943.15 21676.55 10883.18 14826.51 14928.34 22371.84 22983.36 26332.58 13914.98 28250.34 24457.18 12581.56 21219.71 20501.54 12957.47 12311.7 12511.57 12369.53 12942.72 13310.21 14841.47 12205.18 12615.38 11722.9 12235.28 12503.39 12554.56 12283.75 12287.61 13395.79 13599.42 13081.74 11657.21 12480.14 12888.42 12820.35 11917.5 13456.25 11779.28 8431.9 8719.77 5466.03 8303.19 10248.28 9131.37 9094.31 8700.73 9297.36 Lys-Gln-Ala-Gly-Asp-Val 4890.25 6697.9 14118.73 11942.77 10352.95 12173.21 26516.25 13202.32 8418.72 9450.13 6827.26 8527.72 13264.04 15485.43 7129.87 4971.57 11347.25 6172.93 18226.8 7103.69 6735.08 5848.68 4180.22 4546.85 4070.05 2218.17 3897.82 3760.41 5533.21 4288.79 6176.84 4925.63 4375.46 4241.78 6847.03 3947.92 3901.41 3142.5 3471.06 3091.21 9254.43 16385.03 8975.16 6596.95 9942.12 12071.18 14155.18 7732.63 4540.41 11163.54 9763.07 6903.27 6217.7 8172.66 9141.22 7693.97 8784.16 8672.09 6586.15 8672.58 8358.43 8610.01 11793.56 7588.6 7052.13 7011.39 13382.77 11614.15 8605.03 8112.46 5370.13 4650.33 4498.58 6866.88 10266.48 21668.03 23699.34 27369.17 30535.4 22767.38 14816.88 12566.53 25702.42 21755.9 9445.18 8078.8 13400.14 10933.28 20495.17 8819.92 17306.02 14336.52 45475.03 22284.53 11340.32 21753.47 11689.18 15553.49 22165.63 99322.36 10502.26 10574.35 10597.82 10496.73 10557.96 10621.99 10935.38 10633.22 10138.7 16,16-dimethyl-6-keto Prostaglandin E1 794.93 2923.46 5236.71 3300.39 5085.73 6341.21 5260.16 15394.46 9734.96 10875.78 7246.83 4760.49 2102.08 16866.73 30086.84 4347.85 10514.14 15149.74 51795.5 4445.92 1848.31 3387.34 5634.83 3786.88 8772.47 1213.62 1151.74 2547.4 13911.19 4254.85 910.39 19046.04 19233.42 2322.21 1053.03 21208.49 24280.44 938.48 2023.26 2702.64 1486 5704.47 15138.92 5912.74 16758.08 5555.94 14368.66 18016.48 5582.33 8701.34 2470.16 20172.64 6241.72 6778.54 8399.07 28362.4 3802.08 4920.1 28649.91 3064.29 3391.71 1740.93 11106.44 7471.05 22780.83 8955.77 11376.17 7831.24 6869.24 7484.62 3019.35 26998 21230.77 8764.11 8582.99 18560.07 19269.37 18563.93 19628.09 18577.32 18787.31 18060.85 17983.6 18952.66 Naltrindole 2148.23 232.59 3480.27 218.55 79125.91 67089.34 2519.49 50023.56 88470.04 1071.45 9218.92 20167.5 10310.84 7102.24 43207.54 520.28 5785.66 4795.1 11640.18 13326.39 28744.35 17944.22 250.84 4800.86 14175.9 21202.89 3221.01 5699.62 2885.71 15645.95 113359.91 91395.54 14649.26 6803.93 3383.11 21616.18 977.28 686.54 5967.43 3549.27 86074.2 30197.31 352.22 386.15 100447.44 658.35 19687.01 3250.27 820.72 15894.42 42882.29 32782.67 6377.86 375.62 42043.34 17126.87 3219.19 4409.73 70718.04 22629.81 3977.56 308 39324.15 672.09 1396.9 4134.96 10180.86 6094.24 222.55 4799.35 13621.3 11458.84 7820.79 7323.86 7058.34 25390.73 25406.03 25417.04 25761.58 25776.73 25619.2 25762.15 25390.27 25396.12 k-Strophanthoside 1311.78 919.07 498.97 3335.02 390.74 1877.1 422.92 4066.23 2164.17 3078.29 5194.98 2933.39 3220.02 2018.13 2816.85 2972.22 1141.14 1664.64 2997.54 1321.5 991.46 1803.08 347.37 379.88 952.23 849.4 350.09 3928.63 1478.8 666.28 1659.77 4595.41 1101.68 2467.27 1293.21 561.06 1466.68 564.95 2708.72 487.82 761.03 289.29 2332.62 1851.22 516.03 1788.79 1950.55 1783.88 1627.01 4215.03 444.39 4073.41 4268.83 1136.46 1967.86 785.48 799.28 1865.54 3394.09 392.96 4002.75 1767.94 1624.8 5109.59 2040.15 683.89 1902.01 6180.46 1903.04 3354 2059.78 3212.43 4719.16 1868.75 2867.42 3464.64 3401.13 1993.85 3635.24 3403.11 3537.71 4112.27 3655.59 3465.86 His-Phe 4051.25 1076.92 1928.5 3952.84 10379.89 6328.85 4365.69 12154.63 7729.44 4041.83 4402.94 4992.7 3065.84 5672.53 18764.55 11262.94 3372.19 62081.26 22195.06 14503.46 22116.89 7595.69 1344.49 1006.14 10230.49 7202.04 1783.05 3649.58 15566.81 5286.17 9275.3 15322.9 20957.11 494.31 409.61 13374.48 13662.91 1144.82 2650.72 1692.93 12322.39 28656.41 1117.09 1702.24 27495.53 2717.58 28921.4 5942.51 13672.67 12077.97 11764.86 11134.23 5136.42 2083.67 6429.04 5024.4 1524.04 3293.8 24221.91 10746 1297.98 3686.74 10720.63 3922.17 7971.32 12142.54 5246.75 3721.27 1607.8 25597.03 15483.93 11302.42 15315.53 3974.16 2379.68 12128.27 13334.78 13044.77 12698.61 13382.96 15156.9 13287.97 12628.53 12632.96 3',4'-Dimethoxy-2'-hydroxychalcone 5453.81 4074.74 6911.45 4976.41 4183.68 43356.38 8470.63 10893.41 28186.71 15737.81 2799.07 2031.71 747.5 1865.87 14983.86 4703.08 2295.16 4255.17 1050.07 9062.91 16504.8 16384.31 374.24 1643.04 3258.04 15529.59 1829.23 1547.51 6810.4 1434.34 3450.85 1299.59 34347.5 9347.65 5417.51 3754.27 14822.02 9677.19 2408.92 2053.48 6162.78 5415.09 1479.41 1502.8 1347.04 3322.02 9488.44 6645.73 2897.51 5663.46 3641.93 20916.16 706.64 2693.86 14719.17 30994.88 1150.05 2021.33 20079.42 13437.96 8161.32 884.52 4403.5 4615.27 2819.82 19779.25 30327.19 755.38 5239.24 9471.68 42063.48 16036.18 3611.02 1389.16 2687.57 10951.75 11046.37 10270.23 11069.66 10305.37 10929.73 10364.34 3744.73 10777.34 5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin 20595.69 19058.84 21338.53 18802.63 19173.82 6048.37 13449.07 31586.73 29429.61 19214.03 6414.06 38864.67 19286.23 15969.25 20574.2 19782.02 18806.76 53147.23 19850.48 35577.88 16821.89 12790.37 15983.39 11860.77 37316.51 5072.78 8381.6 19432.5 22553.51 28272.21 11727.91 14525.64 17116.03 16580.28 11077.6 42355.92 19954.85 1952.22 12728.31 12112.8 19976.33 8758.74 15095.12 13419.8 14635.24 4514.39 28555.89 43167.36 6996.31 10358.89 7238.56 11415.83 13169.48 7352.95 10041.23 11986.75 8829.06 9838.64 16499.27 10000.57 9590.84 14529.82 35068.02 9382.88 23152.99 18625.66 10531.42 25728.88 26373.46 25778.45 16898.13 13763.74 3860.44 5544 12829.84 15502.66 14472.97 14675.72 13637.32 14328.97 14338.73 14447.14 14651.13 14348.4 1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone 21624.52 20512.86 14653.57 53529.52 41918.1 58829.08 121462.36 41696.74 11307.7 35490.47 29567.16 30412.76 53964.54 21400.96 18523.11 19309.5 17002.31 14901.74 10359.53 3392.68 21743.3 43576.22 24345.56 19103.22 15004.28 8772.19 3808.56 9045.61 35846.04 5545.7 11001.27 19244.94 12133.05 14934.62 10961.39 12408.13 21227.13 8729.13 35604.7 8021.03 29096.67 70054.52 22544.33 14916.7 37656.06 60598.35 23441.65 13571.73 13577.94 15964.36 39538.36 35426.8 24497.56 17545.71 45810.78 18178.56 9013.81 13128.6 26680.31 21876.01 22134.35 41265.3 28670.64 21265.13 14115.64 53018.5 12199.93 15357.13 11143.13 17846.49 6792.17 19653.02 22666.2 27670.61 17885.92 37901.91 38243.83 38243.17 37914.85 38680.8 37759.54 38240.46 37404.08 38249.53 (-)-Oleoside 11-methyl ester 30836.68 17009.87 3339.29 469.23 5883.16 7650.37 731.52 5830.68 32143.96 24938.84 722.1 1911.83 584.48 2672.22 27591.64 10514.31 377.28 11364.59 24601.18 43624.98 8367.04 1191.85 1086.4 458.15 2120.33 13469.61 625.2 2623.47 2447.51 916.26 7162.17 6090.82 15184.87 1695.46 464.7 5825.93 8724.56 2609.09 494.19 624.57 6547.12 36838.81 639.85 5044.8 5365.41 2181.88 8077.11 3069.36 3050.26 8857.48 11712 5445.69 674.77 1895.38 12979.11 13561.5 1113.54 287.92 28139.64 3564.49 6666.66 14366.73 22844.32 2853.09 5689.04 13416.8 25549.81 4102.18 3675.49 10381.33 185271.55 3554.01 4996.38 691.76 2171 12765.59 12172.01 12774.08 12858.55 11958.54 10320.49 11747.28 13670.91 12031.5 Piretanide 32684.98 73660.83 4786.4 31941.56 29096.32 142416.48 14347.97 95521.55 112334.12 49927.54 20068.13 25536.96 38027.58 35922.67 118507.87 69308.61 44219.28 106805.47 76592.82 42790.55 50503.53 11374.17 27007.44 5000.79 35192.01 204417.07 2580.93 6713.4 63956.52 10186 57887.83 12683.32 64862.65 7834.43 855.78 44723.4 59911.32 1742.52 9186.24 4051.33 82893.34 63182.17 19117.65 12424.58 90316.12 37965.35 127656.47 54732.71 13069.75 85169.2 21512.47 16123.36 36238.44 11561.81 38073.37 69826.38 4280.52 27810.89 94161.45 17669.48 11582.33 6857.13 57779.31 27335.59 56764.2 75878.93 107430.75 6324.45 44552.2 103855.24 102441.91 57183.42 49607.6 21563.62 5831.23 64116.85 61412.3 64122.08 64164.95 64083.37 62978.71 62916.68 58358.55 64112.43 tetranor-PGAM 36010.09 41748.52 49269.37 80438.59 53592.66 106706.19 121672.15 48838.52 87660.51 105471.59 115727.19 124556.41 143264.93 63209.62 50316.61 132987.94 65140.61 51507.02 143742.42 77201.53 34980.94 42945.3 87597.39 56542.55 35972.57 37633.29 39569.26 60560.35 27714.75 58197 31343.29 79516.67 26424.45 48924.86 42872.19 25597.69 27964.9 13767.56 70631.21 32570.93 91837.3 81425.34 90113.32 88761.06 83351.93 139229.95 52734.65 80334.39 49198.33 107969.25 35848.91 47664.74 99102.48 103517.14 29781.08 38214.43 43383.65 44840.58 36813.82 41201.55 49612.48 71451.42 25511.28 89263.89 70443.01 50022.62 78618.75 98112.76 71992.6 45423.99 57714.36 89282.58 78599.49 78419.39 100468.16 81704.51 80470.39 82135.35 82119.51 82023.83 81785.42 82167.17 77875.8 82126.56 Nomilin 14737.23 5265.01 3972.31 539.53 7748.45 1901.96 520.93 15614.86 10519.76 17789.8 11821.64 21280.46 10994.77 6590.63 9858.98 23074.14 6772.12 17426.04 36853.35 22558.91 8751.53 6423.05 9223.39 9795.28 7463.13 5038.11 3887.09 8337.41 15965.1 19297.27 2903.76 42222.67 6213 8892.74 6292.66 16024.08 6487.96 1354.05 8689.49 2826.4 2510.52 13216.82 6602.52 11288.82 15434.77 8963.31 3936.17 2612.08 42474.73 28162.08 11546.99 6369.6 8719.98 3856.56 7923.38 4899.82 5589.64 5119.17 10391.56 3160.65 12847.15 7008.25 10634.89 17061.37 17956.09 15858.76 12079.67 22206.52 15355.15 10939.4 6401.2 13561.83 20311.12 15455.39 10516.69 12545.41 13701.9 13354.39 13041.61 12840.2 12820.83 13276.14 13277.17 10690.45 Prostaglandin D2 methyl ester 68158.72 143017.63 3545 36997.33 31983.03 9164.02 2354.18 37652.71 52738.77 23146.51 38182.66 7571.42 69533.41 2254.07 95819.61 27915.65 10694.95 54080.07 4107.7 46474.46 40474.09 22463.41 46254.04 38968.4 15968.82 13925.62 7598.47 10150.13 21822.44 24632.31 72064.75 2246.49 697.99 20016.76 32197.99 6282.18 2450.35 4173.66 7362.91 3466.82 106017.65 43850.06 24070.97 39233.73 150107.45 39727.76 6892.23 16029.45 63514.8 44265.1 15443.62 19682.54 33401.4 22903.23 25330.91 22545.28 5442.14 4528.64 9935.57 19375.48 5928.12 7286.79 39156.35 5577.63 29055.75 39160.56 54049.88 6771.52 19252.75 16365.19 15460.1 32042.54 49551.03 18360.57 28571.8 20776.81 20826.12 20353.47 17124.69 16608.6 18771.84 18806.81 17087.32 20340.63 7-oxo-11-Dodecenoic acid 19672.48 17147.98 7823.47 9617.48 46613.56 227958.93 66057.88 48168.97 35122.32 39835.43 41413.2 32841.24 81011.41 35877.98 66276.68 48309.55 38192.22 94671.54 37669.56 98721.1 18066.04 14829.31 18711.88 15888.71 22122.52 28772.96 6064.73 22658.95 16908.84 794.43 17861.32 12084.71 15051.13 22885.44 26887.64 26664.17 24509.13 13030.43 28627.99 9706.55 34669.12 40624.93 27498.59 37942.01 37968.97 15045.54 30249.5 10453.95 22719.47 24846.26 32528.6 64175.8 32486.66 33978.07 58601.48 58932.97 17778.63 20880.8 53359.68 8153.37 30541.06 15356.7 35567.37 44641.85 30561.29 44748.6 53950.16 48111.94 31615.42 37598.86 37726.66 8179.36 15723.64 40098.01 61555.87 52799.59 52608.48 58766.35 51485.2 52117.39 51960.9 53139.34 50657.63 51324.12 Glucoliquiritin apioside 3750.64 1084.59 788.77 954.14 793.54 2054.02 298.1 16960.07 13111.91 2923.99 1560.14 5083.97 3565.53 550.71 8089.62 2067.99 2474.3 7829.59 16277.86 16880.1 4577.65 399.41 405.01 651.43 2574.16 2586.99 948.1 282.5 6356.86 2981.63 4872.69 6305.44 1317.88 174.74 181.29 3376.77 3939.08 211.07 985.9 197.18 9350.95 10220.28 2343.49 808.99 15919.26 2718.03 12586.66 5605.78 3028.51 15013.17 2700.35 1627.25 377.52 1973.51 1064.5 2293.91 682.67 328.54 5468.08 495.63 1587.48 542.72 742.4 3427.41 5037.35 3062.49 11713.37 3252.31 1644.31 6040.74 10403.43 6086.44 9755.06 1756.9 1263.74 8978.85 11775.35 10826.3 10789.33 10341.63 10695.91 10384.68 10837.34 10314.15 Ile-Ser 51826.14 41279.8 13821.13 22909.07 63225.6 51750.71 27971.23 75131.81 44527.34 50510.49 60352.69 48963.59 57501.61 37860.3 26412.96 49739.07 26643.82 57268.69 47516.63 90546.79 38368.83 35370.6 25241.6 34057.54 45134.79 29462.66 13188.26 34078.41 32613.54 39678.72 48063.07 56698.04 11960.43 36062.58 12220.53 45264.67 24559.79 7920.33 24900.12 16683.65 118190.22 101110.49 23314.38 35820.46 95392.41 38259.06 78728.87 34007.67 42531.14 92535.91 63130.77 64070.01 35977.82 60001.61 34238.23 39969.05 15445.79 13178.23 98777.56 29081.81 17543.92 18279.45 42204.13 24654.6 25389.97 59156.48 70640.27 29874.04 33735.46 63661.97 64724.09 53781.66 32724.29 34152.88 45169.91 51091.99 50146.58 50401.03 50928.53 51627.56 50186.13 51614.45 50059.02 39771.56 Saikosaponin A 1656.55 135.73 2924.5 5083.34 10935.7 31309.31 9866.7 340.91 636.79 2532.54 192.25 313.75 3966.76 373.96 105.83 1863.23 558.4 178.43 4363.92 1950.48 1297.17 78.61 2301.84 127.22 817.08 78.75 68.61 1124.02 625.39 76.45 888.73 701.8 72.22 144.51 1470.81 131.24 1461.34 193.54 201.66 1660.77 36080.94 843.81 104.83 125.84 651.28 5450.75 113.94 130.12 107.81 525.47 149.99 1745.91 80.57 351.33 2426.41 180.38 3606.03 2664.87 137.9 1213.43 2671.67 496.76 3028.13 267.72 2108.1 593.05 214.07 2232.63 159.26 344.33 147.85 228.25 64.14 2906.32 1210.78 6146.75 6148.62 6282.86 6279.4 6629.28 6263.95 6233.02 5912.77 6139.8 11-Oxo-prosta-5Z,12E,14Z-trien-1-oic acid 66969.68 24633.26 58191.61 52278.43 22700.14 3336.73 29565.72 139034.34 87128.85 79195.93 120498.87 67052.68 154692.69 69353.57 84695.32 123271.27 67783.96 48372.32 248118.13 15569.19 23317.5 13397.92 83450.28 47093 53463.83 22672.32 45813.05 34161.54 45211.95 8736.95 13081.57 127605.24 15304.62 60536.09 28095.39 68047.54 37118.67 1900.22 77237.34 13016.11 3574.97 53844.52 73610.18 49355.25 86426.11 83469.93 87608.1 67277.94 102090.34 202394.76 75687.31 43578.88 111011.78 68005.76 76403.83 39353.05 53298.22 25777.01 65161.78 9586.83 113545.91 101866.38 86957.16 90089.6 65733.95 82333.48 16618.74 85455.92 92539.87 126513.95 71585.06 119168.13 87367.96 74544.13 139844.85 77493.93 77474.89 76744.72 76743.68 77627.55 76480.79 77461.7 73305.65 76737.42 gamma-D-Glutamylglycine 22220.1 14789.28 32013.79 30511.07 17841.62 11838.73 24366.88 17930.54 16648.08 25443.52 31966.53 29780.31 28693.2 30204.65 19225.84 22358.67 37569.87 15897.89 26996.15 15161.1 22505.66 18533.64 41522.22 39849.7 23809.24 21764 47007.78 43522.29 21350.84 35121.48 20009.23 27596.42 18622.68 37180.29 42671.02 25846.43 25963.14 16506.92 40222.3 40933.93 20768.75 26491.92 38711.06 38970.89 17455.33 25856.33 17638.67 37300.44 34691.43 24278.92 27452.62 22670.66 34822.61 35548.85 25502.11 19105.94 32493.88 40560.11 17153.89 19925.36 39861.49 36429.27 23761.37 29056.15 25642.53 16510.34 16301.01 33447.78 32667.05 21758.03 14372.14 31710.96 28769.26 29044.16 31962.28 24570.06 24283.78 24867.58 24101.92 24570.46 24574.55 24321.6 24575.22 24563.89 Cortisol 21-sulfate 1277.78 655.97 871 1079.23 1451.32 1389.22 978.59 528.42 3524.59 2556.99 1095.64 597.96 789.87 1298.06 989.63 811.31 798.98 1294.31 1094.33 775.35 1102.36 1300.18 776.84 1772.07 1224.29 1035.07 1482.74 1459.86 1433 807.27 591.59 827.79 878.38 798.13 1063.2 882.54 2502.47 699.61 2362.05 731.74 668.04 721.25 1167.93 1582.06 459.71 2132.4 836.1 939.2 2424.7 1140.69 2361.23 2306.75 524.34 1099.79 1208.08 749.24 1067.63 1177.15 814.51 694.89 1252.32 1434.26 1568.56 1126.76 1048.32 1880.68 1089.41 1780.14 455.69 731.78 1443.08 499.89 722.27 364.31 1385.97 1334.07 1313.47 1484.93 1398.16 1330.99 1302.03 1412.89 1299.72 1381.68 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one 5994.22 10553.92 9019.41 8466.12 12451.39 4605.33 3153.91 5704.02 8584.72 6292.69 6039.07 12172.93 7566.95 6533.66 7911.01 11309.15 11719.76 9922.27 12527.67 4648.25 8911.8 7953.38 8004.69 9873 7363.6 9957.31 7239 7575.53 8900.52 10268.45 9150.63 9308.63 7665.23 7847.41 10269.17 6772.88 7203.13 6770.6 7229.92 8211.33 5878.91 4798.88 7778.69 9085.23 5542.29 6407.99 4495.88 5958.13 8704.61 4776.69 5023.82 7696.19 8057.69 8693.82 9471.4 5937.07 6645.36 10725.05 7086.72 9046.63 7751.75 10247.9 8449.74 9827.82 4604.44 7839.06 5115.82 7681.09 8250.35 7712.52 5394.88 6515.51 6963.2 4804.58 2667.18 6692.96 6620.02 6653.97 7342.99 6161.84 6635.08 6426.65 6438.7 6692.22 Lactupicrin 3337.6 4667.72 642.94 1357.65 3218.57 4922.63 3328.79 3261.81 10147.48 2631.11 864.15 2399.62 2609.94 9634.89 11359.96 3022.41 1435.29 22621.24 9538.53 5659.44 2854.85 3441.73 735.35 381.8 2755.03 2352.55 641.48 1012.56 1623.5 810.02 3606.94 2999.29 2632.44 1249.14 1177.43 4658.43 2739.68 1036.3 1407.48 1408.93 4943.48 2713.34 956.79 1906.84 7312.45 6029.51 4680.02 1256.3 1148.35 6940.34 1160.17 9755.45 1670.48 1412.96 1212.28 2816.27 3109.56 1076.71 1686.62 1597.03 930.39 979.85 2804.47 1506.35 2737.07 5815.09 5720.65 1269.89 2205.17 3985.06 3173.65 2906.3 1225.9 2100.11 654.48 4048.75 4684.15 4253.76 4270.14 4886.97 4692.93 4520.16 4606.95 3565.19 Cephalexin 24038.34 14550.08 2006.6 6163.53 26831.27 9848.48 15037.67 43773.41 30805.85 21749.05 9819.56 22861.9 13676.31 11812.66 52727.63 22499.51 27049.29 55286.84 44078.38 68747.39 21859.86 10358.88 4115.04 7027.35 20652.65 15073.07 6206.16 13387.41 54766.75 28925.84 23291.09 13333.65 16329.79 5850.42 4376.35 19655.8 49807.69 563.02 9874.54 8284.23 32648.21 54615.77 2932.64 10074.33 38723.62 15506.73 31950.72 5517.88 17860.91 10761.38 17915.56 18458.66 3630.79 9409.22 20327.88 12601.21 2581.6 2660.07 25290.63 5243.54 9386.27 5375.5 14998.95 12767.15 17052.54 22774.39 26147.23 16558.98 20079.95 26181.49 27237.51 42903.34 23047.53 11189.26 13726.56 20581.32 20779.05 20809.69 20882.28 20882.35 21382.34 20817.4 19248.09 20879 Aldehydo-D-Fucose 300.18 6830.37 1382.31 779.67 3200.61 10537.13 2478.99 3003.99 9491.19 6843.08 2216.97 1266.63 1862.13 567.25 12127.39 1565.82 841.61 2887.28 3323.43 7281.17 13941.12 11960.56 2624.94 922.55 4042.96 3626.13 608.44 641.32 3464.06 1724.1 559.95 324.31 6360.45 3266.62 3363.29 479.73 9472.38 4850.86 1022.06 2153.72 432.72 3482.57 1102.83 379.58 516.88 1005.13 7761.25 2048.46 3142.95 3891.81 1285.07 9587.33 3271.09 468.69 3759.56 20676.58 1657.73 615.06 6608.61 10635.83 4030.34 3622.11 2738.81 1600.56 1530 9536.35 13199.89 1583.05 766.9 11271.09 15539.06 3799.13 1668.75 575.71 1023.03 5749.09 5855.87 5920.17 5913.75 5745.55 5918.21 4785.57 5901.41 5936.29 Hematoporphyrin 19177.99 3322.14 2172.97 815.71 3817.31 6755.09 1035.56 27211.34 15684.49 692.96 5006.6 4841.78 2840.05 2088.66 41393.79 27851.18 4019.37 23958.77 3946.2 18294.8 10768.06 2140.35 2713.19 2537.08 5329.09 3666.58 1638.98 520.4 7906.72 3601.74 3323.25 7954.03 5853.16 1579.72 1803.57 7468.29 21331.14 1468.2 2342.41 1972.38 5698.81 16940.86 3420.46 3198.07 17304.59 1924.98 22614.14 2790.34 2263.92 6169.76 4797.83 4367.14 1145.2 3109.82 12506.21 8410.94 1313.66 2431.15 26947.15 4303.8 3957.82 629.77 12334.19 4673.68 8534.59 11597.93 4924.74 994.34 4749.24 19200.58 10578.58 5199.35 12944.09 1770.19 4511.94 6866.88 8086.66 5987.13 7257.85 6475.91 7182.48 5797.96 7378.84 6767.94 Livalo 1607.09 8305.07 7721.03 13432.9 2985.7 1925.69 6034.85 5065.72 3032.36 9418.5 16162.21 3362.26 8565.56 20984.93 6183.13 6881.29 13907.27 2651.67 6685.3 1134.67 1515.93 9641.12 15790.23 17880.56 9449.2 4086.93 11567.53 9421.96 18914.08 1793.47 3194.15 9253.34 7237.7 21595.5 15880.97 12855.84 8390.39 6514.57 21757.13 10587.15 4509.65 3267.32 20433.89 26318.82 1792.06 13441.72 4501.46 12132.68 4486.91 3040.18 5415.07 8137.82 20898.39 22283.26 5586.15 4126.68 11207.11 10800.49 3264.49 2467.31 21532.14 14188.27 5999.46 11534.44 6750.18 3999.65 1684.76 10323.61 4187.48 6916.79 3979.48 5806.09 5641.34 8551.3 10765.04 3726.09 3216.59 3691.89 2545 4221.13 4157.27 3208.17 3675.47 3126.49 (20S)-17,20-dihydroxypregn-4-en-3-one 4530.91 2586.1 1739.91 3510.14 11843.67 5096.39 3422.24 19427.94 3591.14 4861.51 4842.49 12638.55 9740.21 9756.63 5980.64 6089.21 3588.35 8966.22 7028.04 1392.33 3916.96 5020.1 3110.29 2468.39 5337.27 2259.75 1725.52 2397.34 5382.11 915.55 787.34 3601.37 6126.27 2332.45 3859.12 12964.52 3100.69 1450.79 5380.4 1998.9 2654.12 7464.21 5127.99 6474.16 8426.36 5797.83 10129.89 13842.61 9379.75 6036.02 13331.6 12367.87 9811.32 6035 13328.9 5696.43 1979.99 3672.86 15579.01 3237.16 3010.13 11257.84 5864.63 12163.11 9710.16 3703.84 1668.18 5557.04 5772.28 16154.31 4784.69 5880.22 5315.33 3142.22 7335.24 8383.13 7430.34 8379.95 8370.1 8628.72 8554.53 8556.69 8372.46 8513.27 Dermorphin 1589.14 1086.66 1078.64 933.31 599.42 2058.04 2547.83 7880.28 4154.15 1957.82 512.86 3495.5 1079.2 1219.66 2068.95 1102.69 717.06 8017.08 4936.19 3284.62 6192.27 950.65 429.65 1452.4 6089.12 1200.36 1391.52 2188.89 2922.91 3730.22 8295.7 445.76 847.27 1003.04 965.94 5970.39 5126.15 961.53 1560.72 1129.19 8100.51 10839.43 1486.63 1287.77 5587.44 1667.42 2410.37 2358.72 1176.38 1931.78 1181.92 589.51 1523.43 855.68 3068.4 369.55 484.45 390.05 4808.91 680.82 1327.53 551.38 1764.41 324.44 627.73 1544.23 3222.02 1268.86 2920.87 8571.19 3240.59 1464.08 867.51 358.93 485.39 2327.33 2631.27 2625.17 2454.54 2684.29 2393.01 2270.2 2402.41 2631.8 D-erythro-Imidazoleglycerol Phosphate Monohydrate 14943.51 29093.43 27374.02 27079.26 18436.53 13994.02 17882.78 20154.52 19537.19 17275.32 14249.45 22428.95 13267.3 21241.63 22292.72 15035.47 29912.88 22523.45 29059.36 21116.05 28513.47 23669.06 24884.4 38646.58 29815.75 15080.24 26990.77 22661.71 37062.71 24921.9 23820.11 24048.69 16257.73 26607.78 41221.9 17339.69 24462.37 17735.77 21888.73 22401.68 19987.88 27317.52 15809.17 23702.05 27060.95 14281.1 36471 21643.73 23880.01 23446.54 39712.43 29188.91 24894.1 27015.04 21920.68 21456.37 25972.82 38016.43 33006.91 21996.71 29722.37 17112.59 34273.1 16154.04 22845.52 23980.21 21124.91 24221.29 20768.04 13515.55 19571.69 23106.22 14102.38 24001.02 20554.64 20506.16 19906.26 20190.02 21430.77 20484.9 18781.33 20074.42 19849.63 19797.01 beta-D-gentiobiosyl crocetin 10291.92 6372.84 640.99 6036.74 61045.14 28237.27 16577.89 31657.13 32909.83 21986.89 16901.04 38268.11 10860.54 11480.64 28809.45 44532.64 13336.98 51715.47 35918.03 32027.38 20926.86 8129.42 2519.27 872.41 10424.2 5725.91 2839.2 3953.87 15750.42 9349.92 8480.78 20341.8 7621.39 1427.32 2026.26 9314.86 15495.3 1350.46 4274.26 2438.18 16380.45 38310.19 6840.56 10671.32 48668.28 13218.31 18259.64 10022.63 12493.6 34583.04 13652.52 9903.97 5899.83 7548.42 28144.06 9835.74 850.3 3600.2 40724.64 9244 9005.17 7032.28 15542.7 11419.97 13128.05 42372.25 18632.76 12015.89 12048.8 27995.52 18451.63 25051.63 20538.1 11903.15 13122.72 25645.48 25915.59 25221.29 25806.29 25615.85 25943.43 27618.96 23533.02 25777 6-(2-Chloroallylthio)purine 29718.96 74444.01 26193.21 19577.2 44637.13 94125.9 13422.25 22400.58 28892.95 41001.55 26304.52 13010.12 15728.11 22843.59 62174.49 31751.26 23783.07 52093.92 28342.91 36239.83 27498.26 68288.81 13090.1 17846.99 17682.58 59020.37 11884.37 11853.43 37809.49 4412.39 34471.69 26211.65 50071.44 17771.59 18316.31 12168.39 30335.11 20383.43 18588.48 15454.83 20002.91 40668.2 21354.74 19388.27 49535.8 19985.12 36474.07 30560.64 9788.54 37464.39 28999.49 72504.1 25193.63 27950.44 33663.33 90943.26 19328.64 30245.98 35869.95 83274.7 17162 12932.44 66185.39 20453.56 30626.19 50689.78 82725.97 14955.3 18417.66 24880.99 37759.09 27836.85 19346.51 24674.84 15680.86 343188.88 352838.95 291316.19 268933.95 269990.11 399796.65 355566.77 327993.88 386145.04 463237.77 393657.23 453552.44 359984.89 354305.68 344443.6 288768.12 354992.48 379098.74 337869.51 215578.13 399483.58 386279.94 261600.98 328094.1 364837.44 31412.34 30556.38 30856.24 30557.8 30565.33 30840.88 30872.04 30863.83 30688.19 N2,N2-Dimethylguanosine 43647.94 43944.41 4472.41 5390.89 75388.91 45184.81 4039.54 84117.85 124427.42 28007.57 15908.89 60906.53 10616.01 4217.47 88778.46 65017.8 26325.54 102579.11 31683.6 167394.8 80614.51 18242.34 7464.19 10313.93 36026.24 108518.93 8163.46 9595.52 47813.97 27317 40024.61 19314.43 39344.32 4558.96 9543.69 60822.77 37129.65 3157.61 8631.22 4612.62 78875.54 19965.86 8387.91 9014.03 24559.62 11928.68 79082.73 36298.48 47328.19 44972.38 13234.63 33727.94 10079.72 10015.9 34075.3 23382.12 3216.74 7599.5 59938.38 18991.37 9190.88 9512.21 12283.6 26656.61 52868.1 40645.11 67729.34 32453.32 34385.31 67167.76 89723.72 23044.58 24800.08 15724.61 9034.87 61031.37 59790.8 66927.29 61367.49 59228.52 58216.1 60500.48 59166.26 57335.15 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone 18944.24 12049.78 4003.36 6820.76 3727.29 21224.62 4580.25 8884.84 8007.44 3188.91 10380.56 12666.51 19256.11 13326.46 16309.48 5950.92 6457.34 23519.19 20611.04 27799.73 7700.1 2257.32 3746.97 3975.27 19185.4 3007.43 2433.39 1204.9 17697.77 1178.92 19991.48 33109.66 1153.87 820.4 3181.4 17131.45 1784.15 1675.9 4410.87 733.58 47157.59 26920.09 12359.82 14178.21 28693.83 29418.79 22895.33 12103.89 10158.32 33112.96 12113.59 15274.3 18042.85 14955.75 8815.45 6121.56 1541.86 3247.99 4364.35 11501.99 1670.41 1147.82 5832.93 4202.6 10853.6 23431.99 10799.55 7624.43 8400.31 8804.78 6002.02 4756.52 8088.26 7678.29 6896.48 12659.18 10625.58 10956.39 12069.56 11555.39 12028.48 12595.58 11278.41 12024.97 15(S)-15-methyl-PGD2 5002.51 2653.05 966.57 5521.98 52912.31 71521.11 35998.82 2447.27 4082.12 1305.73 2984.92 2637.2 830.2 675.93 14803.94 781.62 1573.4 1200.29 1665.24 5689.76 8704.98 3738.94 1249.47 1040.66 2362.57 8396.17 780.87 669.51 4503.83 8771.2 9340.08 7317.53 7570.01 389.49 1171.99 1528.09 5722.59 300.9 1725.26 317.58 2300.93 5507.4 2533.87 653.84 15802.42 2031.66 3415.6 11592.07 1778.36 3036.08 2295 4218.98 1296.06 716.87 6096.35 4549.79 663.31 479.58 12910.75 14507.51 1464.4 581.2 14902.21 1003.89 290.85 4857.88 12505.03 4061.58 1174.37 9170.46 5406.44 1907 423.14 2033.66 2247.95 5513.86 4164.96 5643.64 5579.92 5444.37 5347.24 6654.93 4076.12 5523.64 11-Keto-beta-boswellic acid 14267.52 7280.95 35652.36 51155.05 57736.26 36867.95 61649.63 74892.98 64612.64 68348.62 44503.18 39376.12 42485.1 76041.08 47391.49 44780.96 85034.94 48251.05 95006.8 54041.48 63124.03 20890.77 23471.92 55974.55 38414.39 14446.32 17065.41 28501.2 41388.15 19187.65 40651.64 10981.34 28686.31 37191.38 36885.22 33552.58 23361.46 20480.03 25565.78 38290.37 31082.08 9868.77 41129.23 107561.43 55451.54 47581.58 51348.77 68277.65 57709.6 26180.63 5466.55 58897.38 61427.18 46283.55 33703.59 31593.34 39448.61 50614.22 63860.9 52998.64 34668.64 49848.29 108815.01 48936.54 82012.4 60747.94 55243.42 98097.87 65360.55 31354.4 17527.78 49287.65 49852.26 73237.8 70022.35 52511.16 32186.45 49785.6 53564.76 50301.98 52058.05 50196.47 51909.01 56067.56 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine 6974.17 4222.19 949.26 2853.08 1110.93 14697.56 4387.92 15129.15 2307.34 9752.96 5255.27 8617.35 7363.95 12395.71 16419.97 4801.61 452.18 28298.49 14683.46 6837.21 8441.86 9623.08 5134.43 2835.59 7130.74 4378.36 563.25 2111.42 13768.89 4939.74 5656.88 16080.66 11946.18 3800.31 1336.21 9844.19 8567.67 925.41 4629.32 1827.18 5500.88 19383.9 6296.1 5313.96 15429.75 2205.32 12294.09 4474.83 10083.79 7066.09 12717.38 11918.81 5156.83 4188.67 11264.73 10955.64 1002.52 3172.74 17444.84 1773.88 4740.44 4001.36 7434.87 9365.63 8328.57 8357.5 4892.81 2443.55 5186.97 18096.82 3862.32 10558.07 7436.58 2180.03 2125.16 9619.28 9489.14 9002.19 9514.66 8992.94 8990.14 9076.49 9032.6 9101.67 Met-Ser 2641.54 1239.06 1472.24 2181.17 9785.83 4460.48 9174.17 5033.54 3133.05 1203.2 7670.56 2405.83 654.65 374.3 11436.11 16581.46 1317.31 10053.87 4650.79 10054.53 503.67 1625.19 636.86 428.76 1541.69 519.65 1312.43 2436.94 1164.16 1002.74 1736.69 890.3 310.7 1139.25 552.33 1198.66 851.39 870.18 1436.97 1188.75 2069.59 1709.42 1820.3 424.26 3568.31 849.7 10031.05 746.82 867.51 6218.8 1418.64 2248.58 1587.99 1247.98 838.03 1210.88 1259.84 1190.53 776.84 1485.47 948.04 1192.41 1210.6 2862.63 2562.63 6266.64 1537.75 1713.08 5826.56 2456.05 2461.76 622.43 1799.98 1250.9 3639.15 2184.59 2519.16 2190.96 2229.47 2349.43 2163.07 2518.88 2577.07 2381.53 17-phenyl trinor Prostaglandin A2 1753.71 3556.46 1186.31 1953.9 4266.09 3497.61 3268.98 5229.47 2386.07 1405.69 1264.28 3917.1 2363.61 2731.11 7753.83 2127.2 791.43 9120.04 4827.19 12579.55 1865.1 7013.57 2109.93 1502.12 2404.08 2645.18 643.02 440.62 4659.9 1278.2 3206.49 1747.14 2831.15 470.4 927.98 786.87 1947.39 514.41 1535.73 558.04 1298.88 9512.41 2668.52 2242.91 7349.64 2356.75 5429.38 2923.95 1051.41 4024.37 1210.43 3806.66 1585.8 677.87 678.05 2979.6 884.84 433.79 2006.24 6929.19 1622.35 1562.74 3353.93 3567.68 1822.6 1552.48 8451.88 622.94 2069.59 2032.96 6528.11 2618.58 1933.23 4913.79 716.8 2655.65 3841.86 3894.95 3854.9 3888.18 3641.85 3626.52 4139.1 3892.77 [4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone 6385.29 10376.74 8426.28 11648.58 7275.79 4513.91 10735.15 7267.19 7490.41 11201.83 9980.08 12848.98 14849.99 14362.82 13043.7 10167.62 12170.37 10580.82 15305.73 6946 1893.36 11545.53 13310.01 17321.57 8254.06 2488.67 13483.91 10034.24 11580.85 5500.09 1199.3 9722.69 9559.92 10262.63 12238.14 10612.23 5579.98 2881.2 13967 10080.68 1580.58 6376.82 13943.59 12333.54 5943.28 10080.25 2667.9 13793.6 11339.84 10207.27 6100.45 11731.74 13404.5 14003.49 5280.02 10922.92 4289.77 8228.49 7262.54 7825.81 19201.25 18449.89 6680.57 9399.41 11005.83 11285.27 1454.83 12960.64 12756.29 3845.94 6597.68 13650.71 3758.1 17736.96 12063.02 10267.51 10818.7 10341.45 10382.57 9661.8 10224.36 10380.16 10376.64 10230.09 Stearidonic acid 2762.22 2124.38 1222.58 1456.01 602.32 435.37 1403.44 3532.83 2924.08 3071.94 3777.66 1976.45 1713.35 2740.63 2677.2 2153.41 1353.92 1798.52 2550.1 1748.99 1591.6 1497.52 1165.16 2590.74 1705.55 1099.19 2002.1 2322.61 1327.92 627.1 780.75 995.45 1385.53 2323.63 1269.3 2795.31 2461.34 1313.58 4186.87 550.73 701.37 2837.5 1830.91 3754.95 4236.91 2768.35 2197.31 1836.99 1963.66 2531.66 2911.55 2081.4 2201.55 877.27 982.53 1789.41 550.74 736.71 2931.1 506.09 3095.32 2478.03 3058.19 1858.4 1313.3 3219.63 2290.63 3646.3 2538.42 3193.09 3212.34 3605.87 3451.61 2837.08 2995.28 3799.35 3803.27 3850.41 3940.37 3851.54 3764.76 3853.69 3729.16 3867.54 Dodecyl glucopyranoside 20013.66 50851.07 42416.22 37635.08 59599.28 34666.17 65444.43 56476.18 58659.79 57443.04 40544.37 55870.13 49472.76 53741.65 28403.43 46242.38 74951.68 38752.49 95044.58 31940.84 40690.6 21610.04 17145.33 31212.6 20092.43 12169.31 15789.95 12614.98 22202.51 18171.15 27462.72 12875.62 17531.8 37489.69 18572.12 16953.84 16448.02 24327.89 9396.59 27723.55 48472.47 42043.8 31030.89 44241.51 62569.41 67936.9 51581.5 46561.84 33325.79 50013.87 40663.44 33826.55 47440.07 38347.25 21682.38 29602.53 33218.97 39385.38 28629.59 40155.1 73739.54 55128.63 59090.7 39822.14 62916.27 51548.94 46067.52 64240.15 39004.81 40238.31 49196.35 68412.98 49120.85 50477.87 67648.42 8565.86 21741.33 12636.44 5637.61 6997.02 6220.87 37236.21 13909.74 7269.37 7469.53 14861.22 15575.43 28620.45 5019.88 15454.47 8751.56 932.07 9751.91 9684.42 4897.06 9677.72 12222.23 9522.73 11164.34 49062.2 49055.96 49176.51 50197.48 50271.67 49240.44 49094.27 50198.72 52419.08 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine 1466.38 10914.94 2663.38 5255.19 2041.9 9416.22 4577.58 6303.57 7284.23 4702.91 7202.13 5676.44 2344.73 4417.13 5832.84 7747.46 6895.15 8626.63 5043.67 10522.63 6486.37 4156.26 3923.43 4765.67 3972.98 5235.41 3228.81 2560.41 4774.38 9561.72 1850.72 2170.79 11486.98 3573.14 5964.84 3908.46 5995.58 2494.97 6273.53 4676.66 8823.09 2422.83 6852.02 9783.08 7374.25 3408.83 9552.27 7762.35 2056.53 6704.5 1910.4 7798.24 5502.2 6849.36 3360.72 11661.12 5944.41 9027.82 10454.87 11437.8 6996.03 5355.04 8389.44 9888.06 9199.43 4882.65 13115.15 4856.37 6564.71 9340.11 10756.95 4514.44 6768.89 9862.81 9855.15 3302.98 17156.6 7865.64 7389.25 5920.63 3360.0 5459.67 6470.5 6528.29 8824.79 18300.86 10135.85 16946.97 17374.05 17892.73 5926.03 17058.83 13847.99 22657.66 17560.74 14381.4 16180.84 13083.93 16741.43 16530.85 7208.36 7121.09 7072.31 7137.07 7190.71 7401.07 7202.52 7086.05 6693.94 17beta-Estradiol 3-(beta-D-glucuronide) 5445.28 1124.93 4445.3 5893.7 17200.27 3659.29 7111.44 9894.83 4377.2 853.36 17449.16 35329.02 28505.75 16996.55 1446.7 19617.3 6882.42 5815.33 32254.14 2246.79 6006.55 4205.76 8630.69 3821.52 2251.93 741.88 4009.46 7675.75 1134.41 5509.09 1367.06 18595.07 3233.94 5111.02 2738.05 9334.22 2201.32 492.37 8713.47 3150.25 2205.91 9020.27 6510.89 8183.44 4147.92 11442.94 6648.93 14947.11 8786.37 15860.2 12951.25 1743.59 22403.99 12557.11 14716.65 5870.72 1602.88 3413.12 7555.97 362.4 12002.28 738.32 2862.28 4652.48 519.53 21372.8 638.58 12892.83 8849.56 6088.84 4257.62 13058.9 9522.1 5076.84 4245.67 10589.89 10655.97 10460.96 10588.66 10613.13 10093.48 10970.26 10459.11 10506.17 N-Palmitoylsphingomyelin 664.28 459.78 6225.66 6674.66 30598.77 349.22 7800.65 572.25 515.69 454.77 2024.78 1461.59 7984.68 901.42 872.42 37475.63 6878.03 952.28 1216.33 2451.6 1159.24 365.18 1263.73 734.63 346.78 219.09 134.82 285.01 956.01 540.55 116.83 1277.41 444.62 1506.08 858.64 281.61 225.95 768.67 1386.37 1443.67 8586.58 2137.86 2139.92 405.83 523.79 4489.77 1027.36 921.74 351.3 10298.01 1129.56 1142.06 2900.76 5081.44 4484.17 654.56 8855.97 915.74 1296.55 2190.15 5076.75 1304.07 1557.32 11032.93 3556.71 2149.15 129.48 749.16 1039.17 1886.01 898.13 256.12 5716.59 7921.58 6759.79 2941.02 137478.61 41173.74 77546.16 109809.48 107185.98 31309.92 113002.78 157288.99 178977.38 186305.87 187683.1 105397.52 263186.46 49200.86 42144.06 45388.39 62505.14 52827.99 39109.92 207366.93 227834.04 109181.18 5527.96 5185.85 5638.22 5618.1 5613.02 5620.97 5619.98 5514.63 5623.3 Crocin 6411.84 5507.56 524.14 2062.16 5253.48 9376.54 2972.35 5740.01 7288.49 5411.18 3308.22 3637.02 3099.1 2901.48 9146.77 3279.2 3214.31 3547.83 6509.47 10167.01 3885.15 2869.03 1474.93 1097.73 2741.84 4903.51 256.14 4288.21 5713.57 1288.89 1798.03 2817.48 6091.4 946.25 481.78 1878.54 4191.74 262.03 2116.61 1092.38 9156.91 2069.06 3724.33 2707.72 9394.8 2980.39 26383.29 12205.91 4088.33 4343.02 3906.37 6320.17 2872.26 3731.92 6657.09 9408.79 318.2 581.1 9466.93 1966.13 2115.07 1506.23 6511.4 4940.74 9428.81 10773.27 15539.43 5526.13 4108.33 7538.59 18910.36 2814.36 22315.28 5889.7 8388.11 11081.69 10732.98 11022.49 11103.39 10687.81 10303.21 11083.06 8720.1 11098.41 Verapamil 11700.81 11587.09 2763.82 8132.75 21986.49 23967.1 13387.65 19462.07 32451.87 13892.59 12144.96 22842.76 14648.12 8040.03 24037.42 14726.63 9467.91 24650.59 17842.55 15188.13 12577 3464.57 5460.6 2979.31 7096.86 7218.37 2268.34 7163.16 8581.2 2351.99 4629.47 6622.67 5416.09 5542.4 3106.88 13304.92 12620.73 857.49 8804.57 3490.88 29916.58 25003.5 10837.53 6530.22 30521.4 5953.56 27296.2 16100.33 7481.76 11363.75 28707.52 15740.51 9922.86 8256.79 31924.18 18113.41 4856.96 1023.75 45893.28 7883.07 7404.1 10098.21 13070.61 7701.21 10808.44 24057.8 19945.37 8709.9 8017.47 19480.89 25860.06 21693.42 13647.04 8642.99 15334.92 58955.96 25056.44 63157.06 44708.96 47286.54 26284.93 13041.93 55415.11 33599.28 3344.67 4782.09 13394.06 13119.28 44994.21 6699.97 13782.1 16148.53 63655.09 19437.51 13140.97 23731.58 10282.52 19947.72 26062.81 79651.89 20685.26 19946.82 20696.07 21224.25 20207.27 21192.51 20911.1 21272.8 20644.72 Yohimbic Acid 517.71 184.17 452.48 18874.2 4255.36 4113.3 7757.06 565.72 448.17 190.03 472.55 211.93 4560.49 682.78 11799.99 1842.82 968.69 874.34 616.88 138.45 484.9 195.56 168.55 190.27 399.51 133.46 481.93 847.3 1316.93 976.02 232.39 244.34 570.29 3600.42 505.48 403.08 147.61 641.04 831.64 730.85 5956.88 1000.02 172.34 248.59 167.23 11840.27 348.71 239.69 2457.82 646.77 2170.49 448.53 648.18 2762.23 4639.16 266.18 299.53 169.33 872.05 3949.41 433.05 2909.99 757.71 561.26 127.29 1584.83 236.91 279.75 158.42 559.54 138.03 638.77 295.87 1278.17 3577.2 3408.16 3667.99 3405.62 3409.97 3511.56 3563.53 3008.78 3514.92 3518.78 20-trifluoro Leukotriene B4 1628.47 5090.73 1704.33 3327.57 4501.32 5879.73 5038.71 748.68 466.19 5613.24 2210.17 1551.61 9401.21 2284.36 2055.51 2218.64 4034.86 1664 1220.67 825.17 239.94 1355.89 3645.31 1535.31 619.34 1054.58 985.7 1356.04 2803.66 1220.23 892.14 3235.01 1486.62 2824.26 3139.42 1225.51 958.95 566.93 2278.89 1238.58 426.35 1477.88 3325.13 2168.23 670.11 2066.95 251.17 4495.51 1105.34 2782.31 487.56 9737.42 4390.34 4472.27 612.78 4435.39 3592.4 1108.04 704.94 429.61 5050.48 8706.83 3934.99 4395.15 4382.54 4850.46 476.42 2732.5 318.03 635.35 871.99 8227.44 2949.87 8882.64 5159.23 5099.94 4931.98 4555.77 4928.55 5384.73 4947.82 5066.54 5112.95 5082.57 Cyclo(D-trp-D-asp-pro-D-val-leu) 11922.73 15638.79 19322.7 395.3 2052.45 11445.53 3981.56 20327.06 18387.9 27421.23 35693.87 42099.47 16326.87 22161.26 11654.11 27863.27 9208.46 16310.45 54977.13 19125.08 7527.61 34677.67 27320.73 22389.15 5524.89 11935.41 11277.67 23550.02 11522.08 16098.61 10110.57 36821.2 9751.36 18017.73 17116.6 8299.98 10082.42 4462.06 27442.11 12281.37 7739.62 6430.19 34831.67 30390.39 36213.09 4333.65 10560.17 33675.4 20941.83 26838.94 7832.44 5792.88 28711.12 11749.46 5588.22 15389.62 13830.99 20353.65 9760.93 3668.06 28777.64 26301.39 18587.9 40287.43 33259 9836.88 10088.01 33026.14 32189.21 15309.7 8695.27 30673.78 38508.48 28934.78 8815.01 6532.45 3191.28 2439.3 512.06 716.52 3728.65 6155.2 5838.72 705.34 3031.18 4207.62 4897.27 5047.43 5264.88 5520.15 9158.21 570.11 4250.42 4436.38 1701.32 3816.97 2954.72 24369.39 26541.72 25482.76 24400.9 26715.78 24392.21 24474.02 24281.32 17038.01 5Z,8Z,11Z,14Z-Eicosatetraenedioic acid 9807.21 6502.69 5541.92 7084.94 5237.51 13212.16 7186.57 20201.85 2286.97 7663.44 7078.86 55078.73 26084.69 7704.69 10864.67 12363.02 6663.71 54106.23 14574.71 85371.7 3617.72 4207.18 1220.27 5319.53 3530.69 2579.86 594.74 3698.53 44626.84 4291.93 12163.63 152139.4 2236.47 792.46 5100.36 4774.95 1069.11 1975.9 5035.35 3624.22 105159.06 15754.63 33280.6 2129.5 71299.07 15891.25 15812.77 22829.92 44396.26 86991.64 32625.51 9826.31 5112.1 8129.32 1963.02 6086.31 4854.58 1262.94 3398.6 1616.37 1010.73 12458.36 5832.09 5377.35 7683.78 14709.46 73912.86 4143.44 6124.95 3095.47 4778.8 2677.15 4773.22 14159.48 10838.78 12143.69 12634.62 11912.33 12646.35 12054.98 13390.5 12071.73 9860.76 12372.16 Testosterone glucuronide 7569.25 7096.29 1657.12 882.44 19784.3 7260.78 5965.26 10409.05 6316.42 13054.91 5913.67 20627.62 12856.82 10650.16 13117.1 20369.71 8671.69 22882.38 22277.84 2187.16 4844.6 7115.85 4850.99 4189.94 9473.95 8987.11 4014.14 3455.3 12453.91 3927.21 1847.71 16760.85 5475.97 6140.13 5911.85 12215.95 10822.06 1302.7 4484.38 3096 1817.97 12812.97 4613.15 4331.75 18801.38 8991.41 2742.65 5400 9401.81 11504.82 13354.15 6326.85 7893.86 6705 14739.26 8046.93 1354.92 3698.06 14196.03 7037.55 4930.79 1820.29 9778.41 9602.67 4598.06 12745.74 3996.58 5708.58 5664.4 7873.09 1472.86 13514.39 7824.47 7154.9 6523.92 9655.14 9622.49 9871.09 8861.29 9662.21 9623.15 10151.41 9920.16 9892.61 8-Hydroxyquinoline 6505.93 3082.68 9616.97 7216.13 4701.43 3218.18 7963.04 3389.92 4528.8 2190.35 8082.59 9144.74 9717.69 9710.65 3232.56 7000.91 3368.52 2317.75 2475.2 898.42 5287.15 1302.9 7139.15 6047.56 2337.85 1749.96 1470.6 9223.88 1442.67 3418.28 1165.12 2651.55 1305.17 5643.7 4387.58 1580.7 3853.52 1051.05 10119.23 2879.09 2873.7 2255.94 6116.26 12107.06 3197.97 11174.86 1406.52 2544.47 7424.08 4202.03 7282.27 6601.21 6379.9 6103.18 7192.86 2146.49 6497.35 4407.71 2377.9 2765.7 6988.69 9640.63 7885.94 7640.92 2595.25 5537.13 5387.64 7612.12 11467.51 4309.08 3926.49 4837.17 8339.52 7227.96 19804.22 6111.47 6027.91 6077.17 6029.3 6057.03 6376.31 6109.79 5947.91 6030.42 Cynaropicrin 13245.49 9591.85 6453.8 13161.04 21709.2 18091.75 20846.52 12722.07 15418.46 13098.46 17566.28 30856.17 38025.63 26501.01 17870.23 22064.06 17446.16 27105.04 44142.38 42290.54 7894.21 5757.82 5834.05 7980.17 4402.1 4890.54 4222.34 5641.91 13222.81 9644.73 16667.64 45371.56 5460.64 8586.44 5949.94 8077.15 8591.48 1408.98 11140.68 3482.55 22045.83 18655.23 14378.67 12621.09 23108.63 42129.76 16181.31 12766.38 17272.52 42297.21 14535.51 10632.45 11968.29 21201.32 12066.92 7586.58 7428.41 7911.55 9923.3 8840.11 9567.62 11992.64 6807.44 12902.91 15375.06 21683.52 23605.32 11936.91 14913.22 6658.05 6977.96 17031.45 15639.97 19950.66 18805.87 22184.09 21553.06 22653.74 22231.65 22792.08 22217.85 22607.51 22306.4 22149.88 FFA(22:5) 29293.6 33712.91 22483.14 17990.18 36184.62 8080.41 7273.34 33792.59 40096.25 16127.07 37433.06 31327.99 53999.76 40062.82 30388.51 18324.06 26872.05 12262.67 44931.44 17493.57 20814.44 8723.07 19380.52 25496.4 23692.91 14587.98 18570.85 16265.79 22944.33 2859.05 6733.59 21422.81 16856.65 19099.31 19041.61 29635.11 18976.59 4360.45 23337.17 11968.17 6384.99 33954.65 30837.14 28604.56 29908.94 30329.6 15725.96 16911.13 25789.23 6839.53 46127.36 30811.24 71485.55 38475.66 46520.85 33738.42 29974.8 13865.56 23609.49 14403.88 59715.19 70614.91 39345.47 28495.34 19324.9 25984.11 21739.16 20401.95 20522.87 31548.42 26638.3 18861.26 22666.99 28484.27 38833.44 383505.44 346238.47 378152.84 362346.01 222702.81 187017.02 102132.14 369429.67 387662.48 28336.31 30316.84 120721.1 101221.8 362625.62 59109.2 176648.04 88375.72 661640.71 239255.2 99524.21 374598.83 71313.88 181772.53 272074.97 622638.12 25263.7 25528.77 25276.41 25164.87 25267.32 25533.94 25374.38 24923.21 25872.91 9,12-Octadecadiynoic Acid 8050.58 28405.74 32842.96 22840.89 12549.03 24313.13 15586.37 12018.37 23835.85 41792.5 22708.96 11625.46 17597.25 10649.02 36856.08 40084.24 31066.67 14399.47 25428.9 36868.61 18501.45 37570.27 18737.68 19918.91 13770.33 7638.64 15499.64 9828.11 26719.37 13893.22 5551.1 10192.14 28954.53 15839.15 25299.38 12778.65 11561.25 19646.4 14067.21 13715.65 14883.6 8831.4 24740.03 14173.81 12338.72 17510.9 17245.85 26433.56 14716.72 22860.23 6711.17 9535.65 13713.19 18723.77 14647.27 38834.01 24136.13 34344.26 20044.47 44640.23 21833.1 15454.94 21755.16 53140.44 36134.65 11013.43 37218.13 21379.85 18681.95 13350.05 22432.46 64850.04 28810.59 52510.18 21972.86 24046.7 23974.92 23833.21 24212.46 24355.69 24353.61 25744.22 23025.51 23841.02 4-Fluorophenylacetic acid 21566.07 21144.79 17473.88 10730.75 3284.57 44131.18 31718.3 10015.6 21931.32 25433.06 25264.96 68534.33 34765.2 40230.17 26447.55 39990.46 41783.89 145990.46 84249.87 120756.71 3774.4 14981.74 15535.52 4718.87 4629.53 11229.13 8003.93 18070.14 27811.93 13861.41 31318.86 47512.32 2877.08 15285.9 3645.82 21206.89 6040.08 1511.91 20439.5 6716.17 46940.78 16982.72 12191.68 50734.73 66386.24 12784.17 81985.3 50668.92 34202.31 145145.15 12948.03 25647.87 27429.88 59819.69 24320.22 18297.41 5582.79 19956.84 8906.47 16407.52 26064.31 18659.96 23147.65 29073.53 59698.8 42240.44 58634.07 48300.5 39361.49 12061.83 10464.76 57824.66 23233.72 45693.73 32412.08 57076.11 56915.48 60085.72 58815.53 60110.1 60023.1 60825.55 56437.34 56499.47 Taurodeoxycholic acid 1645 3893.7 5036.4 1910.63 3600.98 2273.89 4368.66 5053.89 2190.5 3796.99 764.62 6214.22 2298.2 2215.17 3230.36 4494.94 9243.9 2078.91 11089.94 4908.82 1234.77 917.37 2846.23 2341.43 2823.85 1663.19 1136.18 956.82 1223.7 499.68 2856.48 2424.47 3423.44 1987.13 3200.25 2242.98 1131.44 2370.45 2979.01 948.54 2468.48 1048.19 5723.34 514.11 6177.61 3920.77 1726.13 1562.95 3563.98 2503.44 4338.95 2955.14 2019.73 2151.33 3550.31 4731.2 3283.63 5158.61 1370.18 890.01 4588.11 3969.99 3430.04 4531.7 2394.98 1577.96 3156.59 1952.74 5568.85 1344.38 2359.2 2293.59 4667.49 2315.08 589.14 3090.28 2821.08 2895.09 3419.84 3131.92 2576.15 3112.78 3165.26 3178.79 2-Hydroxy-2-phenylpropanoic acid 289.57 1999.37 883.73 359.9 681.24 572.04 1449.54 1185.35 439.54 2653.04 688.38 738.83 472.45 1511.49 1496.99 2256.73 580.08 994.97 1678.74 1015.8 1235.65 1869.92 1066.7 929.8 1165.2 4267.98 1671.31 662.81 945.92 1123.55 704.54 1895.13 916.09 867.03 1261.86 1592.59 1219.15 821.42 1339.66 860.77 1227.4 1311.28 1290.4 1657.97 1019.56 1389.41 1417.45 1337.81 1655.09 1097.19 1503.54 1367.41 1078.49 479.69 1303.74 2323.45 835.64 1068.29 1603.97 2847.1 1324.08 1198.69 1543.17 1228.19 445.79 813.71 1591.68 1895.69 437.47 2710.46 861.36 345.21 1261.66 873.92 661.04 1407.5 2049.4 1955.33 1998.01 2064.21 1941.67 2006.9 1940.28 2306.11 4-(2-Aminophenyl)-2,4-dioxobutanoic acid 156.71 282.09 1301.3 838.05 1492.27 5729.05 1877.09 95.5 107.82 197.73 118.94 154.04 3211.19 69.67 567.7 376.18 180.55 72.8 174.42 186.49 215.15 6152.85 100.06 269.77 235.4 810.05 94.08 289.46 193.61 83.3 96.24 453.75 226.06 610.37 471.23 192.39 189.43 3090.74 124.9 126.7 173.29 1781.39 99.5 224.66 506.13 1493.46 121.12 397.56 1244.66 77.44 1223.07 296.25 180.9 213.37 532.72 105.46 2815.88 3309 122.48 6366.96 477.38 348.39 309.85 427.16 282.65 1604.87 381.3 108.17 90.94 218.84 382.65 74.84 135.48 1074.36 423.6 2298.36 2234.5 2297.82 2251.29 2253.82 2311.4 2296.16 2087.05 2249.75 Hydron;2-hydroxypropane-1,2,3-tricarboxylate 1186.08 3594.55 3798.73 1610.86 2788.41 1599.65 2066.06 1849.68 13020.51 1669.7 1563.52 3693.23 1168.24 2296.3 1464.44 786.01 6933.98 906.29 644.62 3051.27 3067.51 844.67 3221.74 1107.22 1241.49 1651.09 1419.96 2406.18 6068.49 2759.19 1684.87 1803.6 1042.84 3513.22 1686.83 4701.17 5589.68 656.87 1686.86 3269.27 6792.67 1868.94 1666.92 2825.55 1616.77 5398.61 1237.82 647.7 690.99 2335.85 887.05 1071.5 4858.6 2851.87 2644.14 2279.97 9602.49 6330.18 1068.6 11252.21 706.61 3264.98 5181.98 2193.99 2866.43 1104.38 3116.39 2607.69 1395.75 6023.16 5181.38 2465.13 3367.61 1359.62 4272.96 11323.34 9378.91 10623.47 10054.81 5439.68 11980.01 14316.18 7735.75 12147.98 20835.52 11404.85 19109.35 10937.85 7049.29 11840.49 6097.25 9032.17 10709.55 9352.75 5853.6 13195.03 12983.75 9121.81 13943.52 14913.36 1646.61 1661.08 1574.04 1655.02 1628.13 1648.99 1334 1647.66 1513.13 Sedoheptulose 2230.01 3424.09 2269.64 972.28 4591.12 2319.88 1581.83 4183.35 3844.26 2290.08 2090.77 3886.34 3456.46 3086.84 4329.39 2569.87 2441.05 2792.46 1722.96 6194.15 4554.72 1195.91 2287.59 980.05 3150.71 3333.74 992.59 1586.43 2494.66 1554.12 2034.24 1541.75 2565.71 2006.55 1103.23 2515.55 3794.06 1888.47 3043.55 962.5 6428.56 3802.07 1206.76 2098.59 4960.59 4062.13 3474.1 1861.53 1104.22 3083.58 1784.91 2103.07 1445.55 1183.89 1945.8 1847.21 1517.09 1204.05 2181.79 2502.85 1087.97 1429.18 4300.97 808.65 1868.57 4129.32 3995.15 1618.28 2522.01 4709.19 3073.52 2007.99 2610.14 3853.49 2609.09 38062.26 68195.11 44071.19 64626.03 81072.75 70372.78 41152.39 41410.35 44671.77 15884.25 37323.49 36587.17 30243.94 45087.83 28381.32 34040.09 27790.7 31194.73 36840.52 84479.79 36775.32 31703.82 31783.43 37018.31 75856.03 2289.88 2277.02 2489.06 2554.71 2539.24 2634.08 1808.6 2328.91 2518.22 2-Phenylethyl acetate 2080.53 3877.32 886.24 1859.6 941.33 1326.6 1293.14 784.77 2743.45 3972.17 2877.03 1488.61 1488.27 3509.94 3067.68 1123.42 3935.22 3707.47 2880.65 2233.76 521.56 3280.16 949.82 4183.64 614.57 1890.23 1658.37 2644.92 1271.89 1518.58 2349.1 804.84 2129.88 1164.65 2803.61 2383.29 1433.8 1370.44 1701.77 2597.73 1167.71 1435.6 2629.57 3282.37 1434.86 1234.06 1185.11 2564.23 1156.39 961.25 1035.85 1175.01 1234.89 2746.09 1001.31 2660.99 2915.17 4369.81 1064.57 2209.13 2912.65 1650.2 1067.08 2723.6 2546.89 1701.6 881.23 3037.66 2572.91 678 2270.07 700.34 3438.36 1710.08 2160.56 1760 1835.93 1566.47 1760.66 1842.67 1867.91 1850.35 1771.05 1842.11 Succinic acid semialdehyde 3938.67 2463.82 4099.45 5057.15 1771.29 1354.6 3786.23 2108.44 3112.56 1063.07 5107.11 1569.36 1864.74 4553.55 1680.01 2780.56 2822.86 1210.18 617.89 765.95 5064.99 782.86 4730.57 3966.03 998.22 911.23 1700.96 1715.3 949.75 635.88 1848.27 1362.94 705.64 5245.55 3164.66 927.16 3013.8 1895.05 11529.71 2196.74 1979.14 1041.94 2093.56 5741.28 1465.62 13631.53 1341.27 756.6 1763.29 1452.61 6600.19 3962.37 3925.84 3782.3 3996.52 2564.2 4886.57 3156.34 1100.56 1739.88 4480.92 2822.21 6631.84 1921.08 1184.26 2302.82 3943.63 1421.34 3650.14 2913.36 2313.25 1981.8 5519.64 4037.36 6181.82 3448.4 3430.71 3425.79 3403.41 3342.25 3374.88 3337.78 3329.59 3204.01 O-Succinyl-L-Homoserine 3430.18 2146.95 956.28 3805.56 4347.81 11801.26 5341.11 4267.24 3096.17 9082.74 4637.67 7031 5160.98 816.43 4350.59 5501.43 2507.26 4519.75 5790.36 4425.37 549.67 1506.75 4865.05 1326.12 1676.06 1863.17 1321.88 1019.95 2050.31 1313.73 981.91 2781.9 854.2 648.23 504.76 787.87 432.25 937.31 1663.87 1058.23 3387.17 3104.76 1382.12 987.42 6453.34 4546.77 3699.93 3541.18 590.02 4251.08 1582.17 1383.06 1447.3 915.48 2182.24 1826.85 585.76 1406.32 2505.99 5574.75 2349.23 2630.73 1674.5 2837.4 3441.3 3069.15 5320.81 3799.88 3380.39 1328.47 3179.59 3582.85 2037.06 1484.95 4460.56 4170.92 4114.37 4024.99 3983.29 4170.5 4259.83 4187.86 4157.97 3982.15 Luteoforol 15505.6 6823.19 2086.23 4924.7 13433.4 14962.49 8572.2 21041.62 17144.11 4551.8 9462.65 12832.07 3928.77 6995.79 19616.83 11655.13 7480.66 21320.91 12685.32 32630.94 13081.69 4355.91 1602.57 3686.12 9259.96 8977.23 2002.26 6021.61 17615.55 3421.2 13453.31 7747.45 9777.9 2158.43 2992.97 9490.86 12666.87 2562 6344.67 4745.01 15186.63 16851.77 3750.21 7284.64 22236.83 7746.94 26816.66 9791.91 5984.66 14251.66 8749.39 7722.31 6377.2 5673.74 10496.18 6660.34 2941.12 3541.82 22706.43 5213.7 3583.54 4516.98 9874.9 6718 7111.22 16052.07 22245.11 11361.06 9724.21 18957.78 19947.03 12580.84 13202.08 6331.69 10442.51 15642.49 15306.47 15419.92 15647.55 15479.17 15696.51 15333.57 15306.51 15667.22 2-Methylglutaric acid 3105.21 2042.77 1441.62 3653.27 3981.52 6315.12 5263.49 4386.33 4384.74 3838.35 4177.63 4885.95 4745.45 3670.4 4598.55 5168.42 3405.95 4597.71 5279.08 6377.89 3515.24 1415.15 2450.46 2125.41 2442.53 1897.23 2361.09 2599.26 3082.61 1225.01 2169.14 3465.68 1311.68 1956.69 1934.42 2346.26 2463.63 862.79 3113.23 1246.41 4154.46 4630.76 2841.81 2934.88 4985.36 4003.11 5110.15 4376.97 3044.78 5302.29 2768.08 3327.89 3899.97 4340.39 2800.62 2790.41 1370.91 1373.54 4871.11 1908.16 3039.43 10297.58 3699.86 3856.96 4046.64 4209.38 5675.75 4209.75 3636.26 3633.81 2514.97 4274.52 3603.25 3997.7 5296 4626.88 4665.41 4611.9 4646.83 4662.95 4854.97 4577.01 4292.26 4576.63 Pyruvic Acid 1982.82 2064.44 3470.38 3541.6 1870.57 735.32 2943.81 915.24 1728.8 898.03 2311.74 1453.97 969.11 2250.46 1217.33 2460.36 3583.77 838.01 1739.56 621.26 3208.06 511.34 1710.3 2350.96 830.37 967.76 1163.36 1303.49 1258.78 826.95 1469.25 825.06 422.78 1759.97 2034.51 529.86 2072.9 726.82 3986.21 1308.19 1186.22 1041.43 2100.61 4046.28 1244 7141.36 649.26 570 1371.36 941.5 2198.46 2398.7 1669.5 2375.72 2614.86 2125.13 7193.14 4102.85 1871.53 2385.64 4299.78 2558.99 4165.51 1750.84 1389.38 1952.4 2492.35 1710.54 3173.76 2321.35 1903.8 1951.06 4141.03 2668.52 4290.11 2412.44 2402.08 2374.42 2359.36 2406.79 2412.55 2451.28 2412.7 2387.31 Vasicine 1301.28 1769.1 896.12 1666.87 469.6 2840.33 437.37 1064.79 1023.83 1275.07 1094.85 901.71 3287.86 2209.23 1443.96 2750.08 1512.32 1448.35 2938.88 1837.76 631.02 750.43 1062.5 422.5 564.87 586.35 537.18 831.68 1070.41 472.95 1133.51 2742.87 714.68 929.9 746.77 696.1 773.35 6515.66 768.86 580.89 1920.6 1896.61 1358.71 1501.8 837.93 3113.07 938.71 964.75 789.98 4328.6 964.53 3466.14 1462.11 1494.14 1286.26 1469.15 640.32 1213.98 760.86 1283.67 1063.41 1396.92 1383.37 556.92 1378.85 1939.29 2154.81 1566.59 1665.25 471.38 868.34 1582.98 1028.33 3356.8 1704.06 1690.96 1603.21 1363.18 1517.55 1413.68 885.06 1557.66 1376.5 1401.14 Geranyl diphosphate 10171.12 11582.18 15968.6 23048.75 20583.16 20725.69 30436.46 13386.35 21309.65 19597.76 42706.01 34627.53 33498.14 27647.43 5572.38 34909.45 28993.92 12076.87 44412.5 23084.79 11755.48 5976.81 16332.58 16152.2 5742.04 5718.54 12489.69 14955.08 20440.31 13917.68 10762.87 21269 8606.45 13923.92 16745.24 9880.31 3664.72 518.8 18234.54 11888.62 17005.13 13065.25 24023.84 24163.95 19910.6 27879.26 17806.48 24317.36 15340 37447.28 4612.64 19735.55 21768.46 23462.66 22500.36 12240.28 16663.4 18131.14 15197.32 9350.86 24164.04 20194.73 12076.59 28967.64 32197.84 16983.75 10909.53 27124.27 26191.46 11171.74 14093.57 23812.31 28550.55 36879.96 25966.72 23120.74 23015.84 23185.35 23147.55 23272.66 23062.44 23374.04 22568.01 23012.63 2,6-beta-delta-Fructan 4618.07 5757.28 2883.59 5848.82 9342.12 562.51 9584.98 8296.08 7288.03 1841.78 3548.11 2054.97 5119.38 5574.11 9216.88 9495.02 3819.17 9807.26 2567.8 1237.79 4826.4 644.72 1271.03 1145.08 3510.06 1060.11 1418.98 2668.4 3541.69 1409.67 523.2 3072.32 2130.48 3574.88 1854.74 1537.77 1701.14 1390.01 5674.33 1144.65 3275.72 4565.72 4904.87 5825.15 6790.73 10455.68 6763.6 2715.6 494.79 1604.01 1417.92 3933.74 8250.9 11421.1 4919.64 6017.84 3586.21 5008.73 4245.27 5488.15 4551.39 7115.03 6680.68 10986.99 6191.29 10379.37 2946.05 3835.22 11705.08 2738.56 1282.97 2207.36 7206.13 12445.05 11494.58 6457.77 6000.81 7384.26 6517.35 5666.79 4277.38 6056.18 6145.52 5834.7 Sorbitol 4646.28 4407.47 2993.45 5625.84 11283.35 8328.99 6788.66 7446.33 11591.71 5595.24 5043.24 10601.84 7755.32 3621.39 6505.13 5568.37 2869.54 4373.19 5785.45 3987.31 5470.57 3522.05 2522.21 2971.19 3270.72 2394.53 1950.68 3210.35 5129.39 1287.8 4065.62 4171.32 2749.29 3686.94 2659.6 2910.4 2523.77 815.31 3138.86 3180.04 4602.77 4808.89 4361.55 3570.71 5685.15 8880.41 7679.82 7260.55 4600.23 5831.43 3665.61 4430.94 6458.74 6728.03 4396.94 4328.9 4359.09 3427.09 5780.82 3756.12 4245.64 5390.05 6355.57 5898.84 4569.67 7671.96 8060.66 5849.78 6150.26 5049.88 5660.17 4975.22 4350.27 7112.56 6915.33 6624.06 6634.35 6684.87 6684.68 6876.26 6625.44 6625.43 6623.29 6623.38 1,5-Anhydro-D-fructose 8922.63 4515.63 4784.98 11781.18 30439.43 18244.69 15594.82 17421.63 18867.71 12968.03 13586.9 18414.3 8919.04 6912.38 15182.74 19575.91 11767.54 20189.22 13892.26 13248.24 12854.95 4344.66 4222.15 4475.19 7177.2 5893.61 2141.17 5075.39 5862.13 1717.86 2739.84 5574.1 2323.99 5878.52 5185.76 4977.63 6992.72 3268.74 6934.11 5318.72 5288.74 8322.9 7904.38 8796.8 13892.21 43442.34 17086.26 9336.82 5265.85 12438.92 4150.78 10060.53 14664.67 12046.59 10804.26 4879.49 4527.38 10649.44 15448.9 10596.39 8698.78 10943.46 5732.04 11477.86 14372.08 17010.3 16098.44 11283.28 7898.92 13759.46 8293.94 10396.42 14057.41 24288.84 16535.92 12891.94 13225.05 13188.65 12944.85 13258.99 10586.11 12899.62 13242.07 12884.32 Dehydro-D-arabinono-1,4-lactone 12485.79 6986.94 14753.06 13064.31 5980.32 1613.44 9906.25 5463.35 7286.81 2095.75 15895.79 3587.87 3717.57 10653.64 4470.29 8419.25 11639.52 3139.74 733.26 3047.23 14567.23 1254.08 9818.59 13502.58 3120.68 2534.04 5489.36 5566.83 1615.85 1627.01 5062.19 2768.19 1399.96 12110.82 12945.76 1158.33 11598.62 6143.13 27423.43 6497.29 3303.7 3070.15 6541.04 16914.09 5356.57 24460.09 3013.24 1082.74 2396.48 3588.22 16899.61 17208.13 8210.32 11702.22 13988.96 7109.07 13826.68 7487.77 3213.52 4244.93 13344.58 10055.31 20812.28 5075.26 3566.05 8020.26 7889.94 4282.78 10876.87 9498.81 8298.6 5197.81 25249.33 11169.35 21703.28 9074.29 8947.98 9109.25 9079.65 8945.11 8944.55 8818 9272.29 8752.88 Afzelechin 2541.13 4472 3450.8 15705.71 7943.76 10780.98 21712.73 621.61 443.19 4692.2 2284.24 3791.71 18104.87 5077.45 2861.56 3123.48 1290.27 2554.64 712.74 759.28 1651.08 3751.47 5066.96 6001.28 2884.46 919.87 4935.88 3996.78 3484.69 1946.23 841.36 3037.37 2871.75 4994.06 5056.98 4117.02 1862.28 1461.04 4969.32 3658.11 6963.22 2933.06 5001.87 4130.48 557.25 10823.38 3007.77 5544.95 4945.75 6691.62 2920.65 4258.12 5513.03 7638.9 4351.56 4804.64 1691.51 3084.11 2239.13 2905.1 6526.96 8718.64 3351.16 3572.92 4314.26 3675.74 1452.12 5243.75 4408.79 618.28 2875.4 2519.2 1961.75 6835.48 7732.22 4529.72 4555.23 4530.03 4256.8 4206.41 4321.94 4241.48 4545.29 4342.19 L-Erythrulose 8563.24 5385.16 9516.94 12880.26 6552.51 2757.92 6969.55 3770.7 6263.47 2785.86 11279.24 5478.06 4864.13 11609.55 3292.06 7932.87 7813.65 4061.43 1710.17 1371.12 6290.9 682.6 5723.74 7034.19 1209.02 1025.47 2303.99 3571.94 1422.61 828.99 2361.12 3140.67 980.69 5261.55 5447.65 1183.93 7222.74 488.43 18061.72 3505 2416.14 2566.23 5134.16 11942.02 5231.04 23498.31 2829.37 2441.41 3049.77 3751.46 7381.67 10457.14 6602.61 8164.79 9139.01 6331.17 15820.46 7652.81 3484.66 3204.27 10687.46 9314.59 13971.58 5451.4 3987.48 9255.81 5589.75 5111.2 9777.42 6091.93 5263.1 3928.1 13461.75 8766.4 11825.51 69032.01 52500.46 44545.95 63560.61 46082.27 66320.29 59601.13 49813.44 82009.56 67545.28 70800.99 59354.63 74898.39 47636.46 55272.56 80490.04 56314.69 63487.25 53400.77 53666.07 54642.34 46240.08 71429.82 58148.15 59881.87 6741.86 6742.23 6671.73 6713.24 6674.8 6702.76 6733.69 6671.58 6852.52 Tetrahydrodipicolinate 12433.78 9764.16 15258.49 17988.76 6799.97 3082.89 11302.89 12336.53 10029.66 4853.93 17319.09 16068.56 7928.84 12199.58 17359.87 12131.44 3397.95 13406.07 17080.57 8023.94 12139.8 2620.42 14087.61 15975.07 11793.53 2959.7 9714.93 9186.27 10813.81 12265.35 2898.52 5210.61 3508.03 10808.27 15306.22 7735.24 13505.66 2466.75 13959.33 13328.41 4447.9 27585.5 22337.08 21706.68 10604.05 12592.5 8645.55 12416.6 7415.35 12472.07 11062.12 18689.69 20637.34 25814.42 18488.05 18677.47 6806.34 14220.75 2519.72 4814.26 16450.1 15618.75 16698.15 30659.34 18515.07 18283.19 9090.37 6363.97 12643.83 15072.77 11049.14 4358.46 16699.03 15571.25 12472.5 11757.37 5665.95 8474.98 11008.04 11058.92 7036.62 8169.44 7230.56 7512.53 11374.36 6724.58 7652.51 7462.65 7214.94 6549.37 6070.82 7635.51 7270.97 7652.62 7095.89 8204.46 7292.47 7510.86 7477.51 6805.81 14844.41 13394.07 16924.28 14873.11 15244.45 15734.34 14923.02 15858.07 15722.11 3,4-Dihydroxyphenylglycol, (R)- 2419.95 2573.04 3003.32 1823.15 1934.18 3196.41 2798.47 728.97 1082.89 2735.7 2411.3 5613.22 3473.09 1691.36 2176.99 2407.93 1862.15 3386.94 3840.27 1881.11 6376.42 16269.99 13537.01 12992.02 1842.89 1821.06 3443 4157.36 21686.18 6335.74 2209.3 2513.24 12004.6 4807.56 4734.64 2596.52 2011.12 2291.1 2876.93 3110.28 2000.83 2760.95 4197.41 2702.69 4758.3 2681.26 2749.97 5855.56 5019.45 4275.61 3286.94 3260.37 3573.56 3862.45 1044.2 1242.4 1728.34 2223.1 3574.96 1837.1 1701.34 2601.2 2343.74 1527.97 3239.2 2384.02 3735.48 2073.88 2574.67 1479.43 4330.95 2727.93 3280.64 3922.46 2226.55 3949.5 4113.46 4340.41 4029.5 4653.86 4034.45 3969.68 3452.17 4018.01 D-fructofuranose 2123.35 1762.27 1959.61 2048.54 4317.81 3278.12 4661.24 3599.34 4819.93 1758.9 2533.93 5359.61 734.16 1696.46 2930.89 4379.01 1627.63 3534.25 2156.85 5397.67 4591.8 1691.98 1803.44 2006.14 2774.75 2265.59 2382.86 2012.71 3089.52 2970.59 3877.96 4401.8 2209.28 5212.65 2208.33 2392.19 3006.42 903.93 1853.18 2275.58 3939.81 2843.4 2243.12 2062.32 3634.83 3860.6 4180.6 2495.74 2255.01 2499.13 3065.46 2355.33 2698.4 4445.31 2179.58 1475.06 469.71 1943.69 2895.98 3381.75 1027.38 1410.05 2153.28 3314.57 2031.95 3300.19 4146.43 2069.25 2740.49 3060.93 3332.71 917.6 2727.29 4013.35 4393.01 5672.34 6244.46 6963.61 5020.89 4529.33 6190.19 4931.72 4496.75 5537.71 6125.72 12712.68 5537.46 5745.25 4725.9 6303.95 7952.18 7520.24 6020.35 3060.05 5640.09 6613.8 5686.12 5395.6 6804.42 4957.27 3198.84 3242.99 3197.66 3196.55 3196.47 3243.5 3241.74 3242.38 3367.47 Cinnamic Acid 16907.77 14786.38 26748.23 38450.68 21308.21 7615.12 40996.96 25679.25 25102.54 21804.17 35890.62 47654.31 39993.85 34000.79 24200.83 30973.89 26467.39 29820.26 37787.01 21400.64 13704.38 3946.89 24340.71 23531.05 20877.21 9952 15362.42 22285.94 11725.7 9352.59 10093.04 15658.77 8904.62 20323.44 23142.85 15800.06 17989.83 3643.74 31117.79 22798.08 4856.44 11002.17 33340.35 31173.19 23363.14 51193.07 22934.29 20797.18 26473.67 21363.81 29918.34 22237.71 34971.23 49430.72 33323.4 16661.24 26013.35 35645.39 18058.89 15884.82 35759.13 29139.7 32626.62 58013.65 36075.28 31699.79 17576.74 26235.09 27761.17 27867.18 23678.47 21732.04 42289.53 45893.45 47046.18 27378.7 27620.99 27371.39 27373.48 27673.9 27616.12 27797.43 26039.58 27680.94 D-Lyxose 11966.84 15015.34 22552.45 12514.93 11415.89 3790.2 13332.35 13842.93 21659.87 16059.84 17764.27 10865.27 10460.59 14216.55 17975.03 30067 18575.65 19144.21 13021.54 10255.74 8518.87 2738.26 7352.8 10787.48 8003.03 8622.29 8288.48 5576.86 10906.25 1012.82 3535.96 7056.39 3912.38 6793.21 8950.72 8182.66 11225.63 5432 11902.61 9940.08 4042.01 4579.12 19336.46 13918.35 13660.26 17947.18 13559.92 10021.68 11201.91 16338.59 7145.33 16529.54 15267.06 11844.58 8049.73 19292.89 33042.58 25422.9 12195.22 8080.53 18394.39 17091.06 20087.03 16751.89 15907.96 20019.3 15424.93 20809.2 14253.04 16760.45 14911.59 19798.84 21914.78 26307.03 22809.91 18225.76 18067.51 18014.84 18215.14 18216 18082.73 18221.15 18059.28 18014.2 Lyxo-2-Hexulose 10258.22 6241.74 4721.7 12321.18 39185.1 11322.48 35698.91 29156.54 45070.32 17751.64 29708.51 49563.27 26214.86 8069.01 20005.06 21774.6 6104.64 35979.11 15098.87 17401.75 20891.18 6046.17 6100.57 8062.14 13423.76 7964.38 7810.94 17763.65 14649.98 9749.85 10984.37 16757.62 4916.73 19634.22 23592.95 11988.73 12807.15 7132.14 7940.54 23698.09 8917.61 11478.73 20918.77 3472.96 22048.86 29445.6 39538.33 20230.21 10936.95 18964.21 15257.89 14699.55 38244.1 34375.89 12858.57 5269.2 3130.24 14949.1 17451.27 15673.84 4624.76 7815.76 20775.26 43697.51 23228.85 55799.2 25593.03 8468.61 10506.57 16705.22 12113.13 11230.69 27427.12 52009.37 18637.63 23981.07 24230.8 24390.08 23999.85 24379.42 24378.36 24219.76 22762.98 24048.97 (-)-leukotoxin B 269.25 508.84 2453.89 2012.07 2641.67 5018.33 2755.74 801.32 228.8 270.08 566.78 682.02 2607.88 386.61 528.82 7222.98 2749.94 867.45 431.48 1035.81 510.38 342.48 297.39 795.61 268.55 407.56 474.98 376.72 446.9 504.66 461.58 619.22 1125.9 521 1081.32 502.24 443.95 351.61 727.22 535.22 1081.96 370.72 712.72 416.7 296.8 1494.22 223.52 523.94 603.56 3221.1 410.26 283.72 461.64 2468.8 394.97 628.39 2874.12 1690.55 333.35 2532.8 1221.27 969.2 352.66 1299.59 328.09 1390.67 972.02 550.08 665.67 320.33 402.95 1020.63 1431.77 1936.24 1331.59 1420.74 1435.72 849.53 1421.43 1507.52 1516.97 1514.98 1433.63 1432.24 Homocitric acid 5446.16 5171.05 4864.88 5955.36 12033.4 8397.6 11678.83 12842.88 7081.21 1394.41 9772.05 7973.16 3618.55 6489.9 5584.17 8372.52 8134.28 6619.63 8720.76 10009.52 7173.93 2452.75 7715.01 5924.91 9746.04 5392.81 3966.97 5775.26 8693.64 5116.18 7013.95 10040.37 5735.8 6137.92 6082.87 6417.49 8263.82 1491.82 9467.34 5242.38 10762.05 11404.83 8415.62 6110.34 3569.82 13420.59 7591.71 11022.95 8663.87 12131.7 6924.94 7933.19 8629.99 9985.67 4832.44 4384.14 6947.86 2775.92 6219.29 6534.92 6231.17 7133.7 8611.38 6979.3 8468.74 7208.21 13356.06 6692.58 8711.69 7826.93 9146.11 7152.33 7161.25 6941.84 11421.16 13730.72 13883.07 13594.17 17495.87 13413.96 14018.45 12047.91 13061.05 12798.43 32975.36 15812.56 16503.39 14511.61 14907.31 24045.18 13797.69 14219.12 14698.38 16345.51 8004.25 23401.2 16290.02 9680.97 14503.98 12537.71 7737.76 6561.99 6855.62 6516.58 5972.73 6281.65 5763.39 5721.39 6780.42 Versicolorin A 81994.32 84818.09 85391.96 87060.76 62476.85 49149.63 69882.22 66047.32 62952.9 83160.53 71569.99 70035.66 55241.3 58875.95 67647.87 72801.58 90593.96 59656.54 84116.7 49763.64 58899.86 80414.38 80580.85 106515.58 100613.75 75390.02 87106.68 74490.86 100337.59 89007.21 77663.94 84928.4 79672.78 89083.71 93127.5 86357.46 82804.56 86876.97 80413.7 85946.77 68214.16 90459.3 90352.87 87518.39 80782.63 56387.28 93674.16 71934.87 95050.76 66564.13 97149.92 83750.78 93448.23 88920.62 89981.72 84705.61 84283.61 101164.51 69716.41 85012.83 88142.03 73435.78 97860.49 82951.62 86262.24 59955.71 65904.17 80441.28 65682.77 64817.03 78101.52 84059.67 78801.49 64306.99 77549.79 6634.27 5823.54 7308.56 7249.78 6352.2 6358.47 4768.84 7083.43 5848.54 6537.77 5520.79 6511.03 6272.17 5119.95 6070.6 5834.88 6134.7 6502.68 5539.94 5355.35 5937.34 5935.69 6138.35 5741.26 5578.29 68499.63 67317.39 67470.98 68545.21 70435.24 67906.43 67598.58 67303.3 60293.8 4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene 2731.37 2087.45 319.96 741.19 4621.07 277.65 1990.85 12184.01 9193.61 2935.1 1297.3 2701.75 343.83 699.49 4933.6 755.94 1381.63 11560.68 7231.76 14898.02 3435.51 1395.04 1519.57 649.9 10551.05 2750.23 503.21 608.29 3641.63 2036.36 2396.42 4169.77 3806.26 977.55 418.06 9614.78 5003.85 1075.12 609.31 863.45 2079.43 2312.92 821.13 473.54 2895.63 1951.25 6823.74 2006.62 653.39 2250.7 3089.03 1517.81 582.98 253.48 1021.87 2984 491.97 388.35 6186.49 1994.3 1121.53 1020.08 1262.14 1542.33 2820.83 1896.23 2753.13 2976.24 2967.91 14511 17223.1 3540.08 778.9 996.27 472.77 4660.65 4496.76 4764.05 4658.06 4651.55 4513.16 4653.13 4647.69 4509.14 Acadesine 3873.64 3259.07 5936.21 3996.09 9740.51 4297.84 14055.97 7478.6 8929.01 3202.6 9966.41 4554.98 762.34 1377.16 4797.3 6787.86 7611.68 10641.26 2844.91 6016.1 8037.46 1839.66 3450.07 3016.32 8072.98 3454.42 3785.95 6965.1 3962.22 3403.13 2622.97 7494.68 2346.08 3633.08 9698.3 7475.8 4443.29 14163.87 5585.23 2822.24 1025.5 1921.31 9206.64 2219.51 3563.96 14634.9 9707.55 10456.85 6114.36 4455.62 3700.4 5042.99 15539.47 11942.04 5433.66 2275.99 6154.62 18663.3 5273.59 3079.66 3754.18 3532.37 5997.54 18241.36 20285.64 7403.61 8020.97 3241.07 3740.86 8947.83 5293.47 5329.68 16378.35 17670.63 7051.4 5367.28 2897.33 4634.55 2462.27 3696.44 6642.01 4600.68 2787.53 6447.51 8123.69 4837.37 7345.39 4593.85 4881.05 6634.47 2127.37 4956.54 6387.19 2946.4 1387.49 6190.43 5570.39 3677.71 4634.43 4955.07 6409.94 6314.61 5808.14 6146.45 6147.89 6153.83 6139.07 6265.71 6335.84 4-Hydroxybutyric acid 11674.65 12712.29 10132.11 8603.52 14590.82 7159.76 6400.44 10427.56 27622.45 6614.49 12943.82 14822.29 34047.82 13235.77 36251.79 14261.21 13120.7 5706.77 18642.03 7265.22 3664.1 3849.88 6123.02 10220.17 4844.47 3175.5 6502.34 6580.61 8167.44 6918.62 1921.6 7191.52 650.85 12323.97 8363.92 3699.21 9184.75 715.77 11965 13467.55 7304.1 6377.63 7335 14488.15 11143.93 12542.05 10672.74 12769.77 5252.75 12065.69 5488.21 2962.13 6049.74 14456.01 10680.58 21796.13 9376.06 6770.68 9716.69 9779 27084.33 15753.41 32178.99 10404.56 5563.44 24393.12 11082.84 11590.14 24001.54 15358.81 27198.32 5033.35 8560.41 6737.38 12578.97 12713.73 12156.76 12000.9 11744.38 11580.35 11946.88 12216.59 11790.68 12102.75 Cryptopleurine 40749.12 117902.76 8224.35 51299.41 16849.66 37102.33 10603.12 20361.23 41952.92 11696.24 12997 54947.8 68825.77 74511.49 98526.6 27226.25 39107.86 126034.33 89491.16 112087.66 5593.23 14423.48 6792.23 3043.35 7887.29 7520.43 6811.35 6215.48 37906.74 41413.37 152140.8 166280.97 15315.43 7573.35 5800.71 58445.24 4925.88 1545.32 9286.85 5886.78 140597.28 145395.13 9784.94 14526.05 75556.27 57502.4 37753.29 16958.8 30390.99 98298.57 59509.14 172804.07 16957.03 21454.36 24322.83 45120.65 9202.71 6952.89 9515.92 12961.76 13207.77 249.38 35344.75 10919.46 22572.67 85859.76 133256.85 6915.84 23154.81 8684.39 24817.92 9447.53 5599.76 35951.3 26173.06 57395.13 53392.35 56300.44 56754.66 55081.48 40088.66 56603.9 56619.52 54578.26 Isoambrettolide 3415.44 1560.78 498.45 783.66 1618.05 1838.78 960.65 6142.4 3268.09 2107.94 1074.15 4534.09 613.71 1169.62 3155.11 2112.14 995.3 3880.85 2429.8 8979.14 2865.3 830.72 872.78 669.42 5282.29 2272.32 663.06 761.08 4237.08 2406.75 3544.79 8417.92 2436.27 851.87 701.55 1283.93 2983.21 1265.1 530.78 1205.35 8507.3 4142.41 731.44 911.29 602.18 1154.87 5293.13 2113.35 1725.62 2809.11 1681.88 1486.28 727.08 702.26 1252.78 1453.09 749.44 1929.15 2335.23 1884.65 1671.69 836.87 451.66 1122.48 2373.82 2263.85 587.98 1461.83 3668.17 4927.13 5193.54 2396.31 2375.4 1008.91 1274.59 2201.13 2365.06 2330.25 2344.78 2376.25 2331.93 2331.37 2329.2 2341.56 Kobusone 22589.99 20790.99 17321.87 29285.38 11141.57 17391.26 17970.01 20418.02 17006.57 25143.32 20411.55 22976.43 19256.45 25058.38 23431.23 21174.93 33020.45 27263.53 16842.92 19591.14 13735.77 15431.78 12667.58 14323.71 13274.73 15419 11223.7 15027.63 15670.99 24247.2 14760.62 13643.81 18018.32 12728.04 15253.01 12928.1 18219.92 10298.13 17652.39 17791.19 23079.78 16110.95 17809.78 38984.01 19127.05 23667.15 20936.15 17903.1 11099.26 16588.64 17309.55 20353.14 20298.25 17934.76 17775.3 19763.31 23794.1 24585.05 25079.28 38741.61 27470.96 29233.65 19544.45 25709.77 30354.07 21425.53 22442.38 24384.57 28223.45 21867.96 21879.91 27996.18 23006 27440.32 25272.87 7680.26 6430.24 8737.16 7376.29 8951.17 9379.21 11130.86 7794.9 9131.38 7076.25 12025.14 8882.98 7673.06 8245.38 9099.02 12282.96 9726.65 9256.4 9628.99 9232.79 9432.38 7836.52 10612.33 14755.09 7203.58 20310.99 20309.99 20390.34 20608.7 20531.05 20523.78 20308.62 20304.25 19580.13 1,1-Dimethoxynonane 15855.48 18224.6 17361.67 20970.68 4848.12 11704.74 12091.06 10175.96 12408.81 20074.66 26352.27 8956.86 7517.57 16060.07 13678.15 10728.12 15393.55 13594.58 10942.99 9784.44 10891.55 15702.05 5751.16 16367.27 10187.52 14892.42 14426.1 20556.39 11270.36 23913.75 10612.49 11228.23 20897.48 19361.99 17734.93 10681.43 16104.5 11628.79 33201.06 1110.62 16800.32 7896.91 22490.77 24418.83 9998.13 15130.18 10401.03 14902.35 15384.35 10305.25 13285.09 20982.16 22567.88 15641.65 11331.45 16121.5 16776.62 19732.62 14364.36 23178.1 23007.61 23710.98 16683.22 23105.25 20863.23 9240.78 11771.91 16205.98 14810.82 10157.54 15683.28 22722.96 23701.51 16671.79 21012.39 14318.37 14045.27 13842.39 14873.12 13879.18 13878.41 13885.99 14046.98 13882.89 L-glyceraldehyde 248.83 1268.41 864.15 892.85 5177.06 2892.2 3863.06 538.4 2353.88 481.61 830.93 1283.6 483.44 1011.28 337.47 1313.94 731.23 815.12 585.34 817.43 923.75 724.12 875.78 417.46 754.58 392.88 456.51 1059.95 305.88 355.52 734.02 373.53 774.28 1326.15 506.54 883.05 456.01 325.07 317.18 480.25 1810.94 1064.41 477.68 385.37 469.79 7358.69 618.49 510.59 265.1 899.93 753.82 549.91 840.62 1246.93 1083.18 394.23 1464.01 779.39 555.29 1798.58 1222.16 248.29 2712.77 1694.09 1188.24 1045.82 4913.43 492.48 393.18 604.75 587.45 308.26 407.34 1503.98 1693.18 1495.51 1420.69 1355.23 1391.77 1436.73 1384.37 1605.35 1482.62 1538.48 Mansonone C 16880.78 2235.42 835.18 942.06 22206.09 249.5 280.67 32198.48 21717.06 2089.9 4015.68 24168.71 4567.14 7208.51 2508.64 6720.19 5288.8 22756.06 9080.11 12478.57 16017.56 2409.4 1655.18 1985.54 26981.49 6004.01 1733.59 5941.58 22512.95 21323.53 29402.46 6475.84 2081.36 1872.72 886.96 25266.42 14434.2 680.47 2569.89 2983.9 41804.93 30131.13 1341.96 2142.62 22324.36 5991.25 14890.26 5147.76 12774.98 7171.91 20032.14 1842.66 622.33 3636.19 19329.15 791.49 702.78 632.62 14975.26 803.53 1582.2 1885.42 2942.75 2392.84 870.7 17998.18 5535.33 14484.33 16125.86 18382.55 6552.27 4345.59 12556.5 1967.66 3503.96 14372.49 14323.03 14375.31 14241.66 14070.51 14375.27 14208.28 13215.36 14632.98 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one 84054.21 143825.45 78224.48 248462.66 68155.24 85767.51 155179.59 99924.33 43329.78 195035.39 112880.14 25184.41 21694.46 176103.77 76250.64 132621.45 235288.72 95960.67 157113.27 1846.19 110070.09 42786.04 49355.59 56634.18 79775.42 40376.81 33754.06 34257.43 45217.05 150297.73 47179.07 56140 63561.29 73680.9 61744.23 50397.27 77661.63 19695.53 88714.88 60436.92 132636.85 86025.17 78056.8 274662.94 61981.66 120153.12 46420.13 115555.08 79953.94 20851.66 74929.09 158748.89 126304.73 108132.88 110976.7 74961.69 75968.08 101931.2 250759.82 125148.69 241286.14 123992.26 177413.79 117600.79 174815.29 137490.42 29248.61 182897.23 111096.34 150730.57 158257.49 195219.07 128560.48 168142.72 121139.18 130667.18 102334.66 115784.96 124125.76 119382.75 122888.38 123943.35 115237.67 138805.17 Guvacine 69815.76 69227.84 66843.41 95422.06 59401.21 68109.89 81241.65 74618.09 75666.01 97592.75 97635.72 85681.48 80210.72 101192.88 79604.06 81433.74 93173.29 74636.16 74813.76 65908.19 52388.86 53214.43 65932.74 66774.05 51421.2 46966.27 49333.92 62077.73 45699.9 78877.02 37370.8 51684.77 52281.95 52632.5 59761.88 52032.55 57969.28 25059.73 92342.87 61345 73446.51 54781.96 89511.24 110125.06 83894.34 82655.46 74749.44 77251.99 56768.26 63884.96 64530.81 82566.14 85970.48 76096.8 95180.22 77692.49 77067.51 103893.82 87062.25 96932.05 121594.87 122082.91 94842.39 105528.63 102447.2 83047.44 89659.09 97178.75 102013.55 83197.89 77283.43 88409.49 94085.95 87629.29 95504.87 60450.61 56552.09 56436.6 57792.84 58767.47 59885.53 58612.96 58749.9 59762.58 58719.15 59511.62 60472.7 63941.04 62317.4 59445.97 59537.8 61599.71 63147.36 62120.62 62735.04 62679.18 59719.8 61395.35 66997.03 59086.29 87975.27 87385.56 87976.72 87948.65 87502.31 87962.53 88049.32 84573.63 86623.28 (2S)-2-azaniumylpropanoate 5086.42 5817.12 6799.92 8114.81 7168.34 5895.31 10880.52 5903.12 6391.2 3984.31 6349.11 9252.44 9304.03 7796.11 5769.84 8757.63 5927.89 6167.93 5482.66 5742.67 6779.73 2134.21 5110.44 7381.34 3721.47 1871.24 3309.03 4327.7 4480.34 3370.57 6125.17 4195.5 2498.1 4747.62 5346.11 3501.26 4718.21 4275.65 9352.37 4048.82 2966.73 3616.49 6192.99 8056.61 4969.38 12827.89 5629.86 5819.97 5630.33 6706.8 6317.02 6917.61 5209.14 7363.76 4563.09 6408.65 8765.64 7080.87 3835.85 5074.8 8985.76 8483.55 9024.91 6786.51 5625.68 6536.21 5725.95 7305.05 7820.98 7804.19 5747.03 5551.92 7066.54 9062.8 12423.82 7169.52 7212.31 7128.64 7128.41 7128.97 7188.99 7129.5 7190.9 6981.29 Isoniazid 1986.74 1781.14 1124.95 2103.92 5761.92 5060.61 2907 3418.19 3461.16 3399.23 2673.12 6508.7 4162.45 2252.64 3850.92 2887.63 2314.3 3961.5 4435.8 888.1 1304.47 1094.78 760.32 553.58 1409.85 890.21 802.86 781.13 1811.53 689.43 1465.17 1370.85 1039.83 708.36 544.81 1122.81 684.79 501.66 1258.89 935.71 2615.99 3476.38 2295.2 1719.53 2893.13 3519.43 6487.63 3276.23 1105.29 3071.13 1017.18 2478.42 1705.39 2849.55 563.38 2171.05 1023.05 949.06 3427.45 2335.04 1214.24 2497.4 2107.19 2642.6 2577.69 3627.53 3301.99 2719.68 2762.11 3163.51 2625.32 2606.27 1740.2 2018.7 2971.31 5481.4 4416.91 4100.63 4089.51 5639.56 3398.79 5396.47 5731.6 5998.77 4024.45 5215.93 4190.26 9131.13 7865.08 8540.04 5607.07 4232.68 1771.65 9023.16 7603.72 8916.49 5543.72 7777.82 5072.44 6311.8 2871.59 2806.28 2755.19 2756.07 2490.19 2940.54 2902 2721.55 2896.79 Hexanoic acid 3830.09 8556.51 2944.79 4527.38 3140.89 5031.89 8589.79 3672.93 3794.09 3927.41 5412.86 8953 15073.59 3802.76 21555.06 9377.24 9392.51 4676.19 8825.43 7225.9 2009.02 5263.07 4822.27 5506.77 2522.02 1845.66 2113.04 3134.9 2642.93 2950.26 2063.6 3747.56 5372.87 2364.43 4227.63 2344.45 3602.79 1048.91 5226.84 2176.46 5124.29 3081.74 4389.19 5857.29 5683.68 6584.74 19271.78 93899.71 5281.13 4084.5 4773.92 6374.08 3351.5 8629.61 5140.24 4764.06 9207.88 4636 5572.29 6002.13 11557.57 6851.26 3889.64 5594.2 7864.74 5980.3 5709.64 9839.24 3528.46 4154.55 7079.77 3386.58 3486.43 4337.42 4734.84 9725.21 8262.06 9714.85 9761.26 9695.05 9845.16 9548.95 9542.67 9769.42 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)- 2373.58 4848.23 2521.16 2680.64 2833.71 8149.69 3140.73 3052.81 2523.12 2564.69 5080.16 7119.38 2222.07 3068.77 1837.99 4657.73 1547.39 6585.52 7273.16 9669.01 2588.73 847.96 858.06 2118.51 1981.06 1438.86 1338.28 1528.63 2331.36 2146.97 7078.08 2818.87 1158.65 1560.54 1772.11 2238.03 2076.89 826.44 985.8 1348.5 6946.19 2130.87 3041.55 4168.22 8019.92 2492.83 7285.58 2696.97 1527.2 9416.18 1866.64 2194.05 4407.9 4233.04 4010.72 2011.38 2457.94 5178.49 1452.42 1243.69 4750.46 5237.83 3881.66 1563.22 4202.55 3555.22 5724.68 2307.61 5897.29 2553.45 2261.71 3636.54 3626.18 7637.09 1973.32 2326.41 2317.5 2134.41 2175.73 2441.25 2131.84 2138.34 2190.34 2397.06 Perazine 1767.05 10044.12 7016.67 9919.86 7577.74 24573.77 11066 4377.11 5920.03 4814.75 2501.96 636.33 1247.5 2319.73 11173.14 6765.86 5129.44 10162.03 11582.95 12875.16 7105.45 13612.38 4255.74 3690.49 4716.4 6500.89 3857.6 2116.99 7648.87 3329.83 4702.26 3186.09 5962.57 2009.01 3501.41 3190.15 4109.97 3685.31 651.24 3847.75 11009.8 1450.2 7905.81 2977.61 3110.72 2208.69 8189.07 7055.69 2243.43 6827.43 473.39 7721.53 3618.2 2956.2 4624.61 10203.6 2696.2 3792.1 9606.1 17986.2 7092.09 8658.91 2900.86 10359.58 5690.57 4325.49 12529.25 2558.48 983.95 5841.13 12219.15 7137.93 7184.4 9348.62 7050.2 7351.47 7309.57 7616.43 7014.59 7008.55 7156.5 6977.04 5190.3 7324.41 N-Glucosylnicotinate 2860.66 3637.83 2261.02 3224.98 1485.5 1387.83 1133.96 2066.47 1067.54 4303.87 3107.54 3422.72 596.47 3037.77 2343.52 1318.85 2553.02 1590.27 1890.65 842.65 2817.87 4889.62 1700.45 4175.04 3909.85 5008.12 4536.72 4712.14 1577.75 4139.62 4442.79 1056.09 2226.94 4420.14 7398.21 2677.47 4585.69 7267.16 5437.19 6630.23 2766.34 3502.6 3833.8 5548.24 1114.04 2615.05 567.62 3076.85 1736.4 1667.45 4086.64 1818 2746.64 3909.55 1285.83 3563.83 4604.13 7469.11 2887.58 4620.4 3653.22 4317 612.69 2091.6 3119.58 1867.86 2798.47 4215.09 4801.11 1499.48 2939.4 3641.87 1202.3 2619.53 3243.11 2605.1 2738.46 2464.87 2569.94 2554.95 2647.07 2638.7 2562.14 2584.83 3D-3,5/4-trihydroxycyclohexane-1,2-dione 3348.9 2401.43 2195.97 1800.2 4120.7 6780.72 2616.99 3084.79 2280.25 2001.27 2556.99 2887.76 2661.23 2554.67 3168.63 4463.84 2174.81 15406.41 2392.75 44784.69 3596.73 4935.64 3453.63 3118.18 3876.38 3753.8 2490.46 2546.03 7311.81 2678.1 12303.34 6709.57 3452.4 3493.97 3201.17 3742.16 4088.32 1965.18 2555.29 2375.68 6735.71 4636.93 1916.85 1853.1 3474.02 5397.24 2438.75 5067.58 2934.13 4141.77 2963.25 2319.84 2796.96 4094.59 2500.41 3172.57 2106.05 3099.73 3114.71 3883.12 2046 2479.2 2607.82 3123.55 3179.11 2385.9 3661.36 1896.05 2266.85 2502.35 3029.83 4657.43 3923.44 2583.66 3532.47 4100.39 4101.49 3995.56 4004.71 4050.19 4091.01 4103.11 3983.13 3953 gamma-Glutamyl phosphate 4533.78 9150.96 4738.43 3483.88 7186.41 12311.79 4702.89 3898.99 2422.77 5207.76 4134.43 1522.54 3842.38 2180.47 6731.21 5325.4 5376.46 7917.07 4066.32 6008.75 3743.79 7784.11 2032.24 3705.77 1872.06 7114.25 2795.1 1401.43 5778.99 1099.96 6002.25 3645.94 6390.6 2562.43 4265.03 2154.94 5199.27 2359.46 1556.79 3643.7 4487.91 6144.69 4373.77 4009.48 6775.81 4054.1 4417.14 3410.72 1921.81 6835.98 3826.36 8598.99 3767.68 4615.14 4505.31 9417.01 5110.14 5056.21 6236.85 12042.26 3939.85 816.74 8816.29 3771.24 4602.53 5342.34 8373.86 4169.51 3858.95 4593.37 5625.53 4312.41 5965.95 5004.64 7806.44 17951.06 16917.16 9357.87 12284.67 5557.51 12112.4 15059.62 8885.93 34252.1 36616.82 32180.25 34095.89 20913.23 10019.05 25475.96 19747.78 16423.67 20221.95 9514.3 20833.6 19238.73 22430.79 18480.05 30290.72 21941.68 4932.72 5161.41 4927.61 5083.58 4865.1 5158.64 5153.53 5157.9 4259.96 Sodium dodecyl sulfate 10422.82 18819.97 9990.04 12860.52 17238.91 31981.04 20937.61 12858.25 18800.62 28675.16 22037.18 14994.65 25846.81 17842.16 16458.95 13482.43 23014.02 21427.71 21393.19 13378.52 12168.52 10329.38 18886.35 18443.5 9207.31 12297.07 13610.17 15595.48 20073.87 5602.3 10427.32 13304.57 23400.56 17901.8 19902.09 20121.75 15000.25 3741.32 17967.3 10808.74 20303.29 15925.4 21513.04 22775.25 27269.65 19308.27 15966.56 12338.25 9906.66 15910.18 11925.85 27638.51 21302.84 21350.58 23708.28 30255.08 9248.31 16069.51 17775.36 14928.18 27293.05 25877.64 20159.39 21897.6 11184.69 23799.13 25266.82 17814.13 14177.22 20237.15 21153.14 24249.27 18069 20773.05 21346.92 4814.8 6354.42 2974.78 5382.07 7041.67 7034.86 3480.73 5754.22 16232.48 2296.25 3021.94 3668.99 4565.01 3081.02 2986.85 8115.76 3247.81 5695.15 7038.45 1708.68 4720.44 5251.37 6298.32 4371.09 2963.66 21231.51 21250.23 21135.21 21096.84 21258.46 21258.35 21245.56 21161.18 21097.63 Mintsulfide 3116.31 3158.37 1423.41 5168.47 1535.52 3699.23 5297.04 2605.91 2131.61 6409.97 2489.33 1918.51 2805.26 6576.73 5518.39 2612.69 6503.52 5253 6312.85 2868.28 998.72 1196.78 686.97 943.98 558.57 548.01 485.33 404.71 1742.25 1439.58 537.23 1292.57 1078.31 550.79 1088.39 670 725.84 526.69 1012.54 628.69 1389.13 1722.07 1461.15 2331.93 2646.5 2173.92 2357.31 1703.18 1181.39 2518.93 1550.52 2550.64 1615.2 1509.32 1828.94 1274.16 1566.7 2337.2 2408.61 4799.06 2414.23 1900.62 1566.51 2080.81 2486.4 2026.89 1886.21 2517.62 1903.32 1582.76 2117.79 5387.58 1389.33 3775.55 1773.83 2537.36 2750.06 2685.79 2562.74 2138.44 2585.57 2681.16 2668.63 2668.5 Sulfolithocholic acid 3760.66 8409.43 10466.52 10965.12 11836.35 11899.2 16422.02 21683.28 7461.85 10816.17 3773.93 9768.82 9049.72 8079.61 7432.35 8824.2 17184.17 6781.34 11960.7 12551.35 4734.12 5309.79 4277.39 2205.68 3344.32 3145.1 3261.11 4218.92 5065.16 4590.6 2803.13 6970.01 4440.18 3837.16 6096.63 5608.7 5239.06 4772.1 6065.65 4135.32 4256.98 12016.68 12013.99 3193.72 7903.01 8294.59 7206.19 6589.1 8028.49 1362.64 12505.56 6455.76 5030.72 7026.82 7113.41 7620.37 6215.01 10716.19 9426.23 4781.5 7047.52 6307.96 8136.6 6546.88 9825.23 11662.9 11445.65 8614.12 12460.92 5288.82 10986.94 13155.89 7320.74 6459.99 8799.07 6258.65 8750.5 8762.57 8749.43 8237.95 9260.65 8305.24 8448.97 8754.52 11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide 104582.42 495904.2 83255.38 178529.84 69389.73 97505.56 3686.12 60592.49 91311.94 60178.4 69908.81 155644.95 105784.9 229696.02 721700.33 107024.62 164581.85 552836.04 428329.03 741667.74 30312.22 45233.73 29025.79 38503.25 43433.59 46174.44 6297.59 48352.28 226464.95 172959.27 646106.28 444651.51 16127.96 13455.3 15862.74 65968.91 34371.02 29983.17 43517.21 21401.4 548260.14 320267.89 42703.67 55078.58 416961.67 129707.89 292787.01 80353.6 107484.25 396767.77 136859.87 35489.8 62479.23 113054.13 123679.28 652321.64 30535.39 25957.87 20249.27 36876.17 22640.23 77505.31 120824.65 47839.63 80177.21 306492.58 584560.55 29285.77 144998.42 53107.15 25532.45 53333.13 12862.98 169893.36 72614.1 31919.36 24896.78 32143.13 27507.3 32789.74 32969.15 50032.45 30974.58 33294.85 27380.27 33540.63 33132.58 28624.4 30206.05 32752.98 48896.7 35274.74 39480.84 36298.71 34405.78 37423.82 31090.9 36752.11 57668.46 24856.63 185846.46 198069.38 195494.65 195604.68 194745.82 171347.49 195764.9 195916.56 185132.61 8-Oxohexadecanoic acid 28158.42 5603.95 7341.04 9406.21 5480.79 4361.53 16434.09 11852.76 11474.77 6645.05 19510.49 21426.12 52936.58 32971.6 6535.12 10287.36 10713.13 8355.89 10438.21 3414.79 13002.58 5647.24 6353.21 11605.58 10237.42 7420.24 6144.58 13187.65 7692.83 12052.62 5934.38 13635.88 4986.29 5034.68 6933.8 12506.19 10158.13 2962.39 23946.61 4890.69 11360.25 18028.86 5752.19 34974.95 12760.61 18393.75 5084.57 7801.83 14732.25 11026.69 14531.91 8537.39 5560.09 9425.46 16340.37 3703.49 4851.23 3849.99 7028.33 3011.57 20802.89 5903.22 7086.93 4160.5 2572.51 14920.78 15206.33 46135.24 29240.31 9013.9 3505.2 6153.72 4121.67 5539.25 16233.77 10515.57 10443.09 10425.59 10875.68 10559.87 10649.91 10535.4 10425.05 10652.67 Plakortic acid 275127.83 456873.8 138698.58 359046.05 181279.67 237008.81 237321.14 295314.46 315859.45 229079.44 406293.18 223802.32 46807.89 172789.7 696192.77 354956.59 679099.83 599932.73 289867.04 508249.76 240632.27 127167.08 77883.68 137854.43 153332.5 254506.07 173236.96 106070.64 195834.21 479230.36 246289.67 187921.99 508542.4 103831.98 208925.05 132849.73 420441.85 168848.78 197723.76 337609.39 608430.67 167370.07 241664.18 375226.15 232294.15 140013.56 371056.3 402535.08 88801.85 229623.45 174980.1 283451.82 172062.15 194177.32 361988.11 431198.25 373889.43 533802.42 733823.49 690989.88 502649.87 254095.59 505561.35 587611.29 786577.03 236353.63 329329.21 194795.78 306161.17 455744.92 676006.91 483009.24 523047.59 533170.44 384542.35 352023.81 344704.89 348756.54 348735.52 347048.19 347844.58 348885.14 321670.57 344057.55 (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one 18987.33 25513.53 14368.57 12638.91 13989.61 34182.53 12244.74 16851.84 18253.58 28849.32 25101.45 18417.67 11686.25 9551.24 22325.51 26343.46 20853.89 11583.13 24043.17 15750.12 18277.64 43243.59 29414.64 20954.2 16282.21 16815.25 7238.81 10424.32 25258.98 19929.61 7791.3 16080.13 26578.46 27098.52 27728.81 15380.74 13525.79 14577.1 22862.96 8957.93 12534.93 10181.76 30870.11 22428.77 10929.51 7617.81 11186.53 22103.6 9356.66 10564.99 17518.94 25784.69 32999.13 31970.81 22236.23 30326.34 19586.15 28096.69 17046.64 23119.14 13220.73 27741.41 13493.4 31381.96 22213.25 20876.75 31031.32 6305.82 20559.82 12832.21 18652.53 32500.72 9283.95 13847.79 24514.41 17643.09 17103.92 16186.89 16987.37 17084.79 16031.5 17171.53 14936 16055.55 L-Threonine 4104.39 4730.06 4652.39 5721.33 6069.68 3249.53 7743.99 5685.34 5105.82 4440.8 6019.93 5970.78 4174 5440.79 4246.79 7097.29 4619.68 7389.38 5058.8 5583.21 4587.01 2127.68 3920.11 5489.2 4504.22 2108.52 3266.63 4407.58 3568.63 2180.46 2400.8 4243.12 1591.65 3255.59 4902.12 4423.08 3405.29 4265.58 4833.41 3662.07 985.8 2397.59 5549.84 5553.11 4080.6 9962.39 5086.24 6026.97 4669.46 5001.65 3003.57 5747.24 5987.98 5798.22 4044.53 4409.8 6491.04 6207.4 4101.93 4777.11 5858.62 6271.66 7308.05 6016.97 7157.72 5046.82 4429.23 4115.21 5861.87 6113.93 5435.29 3914.99 7138.81 6913.26 8085.96 1932.01 2842.95 3050.1 1729.22 1514.09 4248.47 5063.44 1636.06 2575.14 1576.95 8669.61 1430.78 9608.79 904.07 8028.87 3211.77 5258.62 4542.6 7017.7 2691.27 5484.55 3795.05 8547.21 8029.22 5385.28 5315.43 5284.94 5381.89 5530.21 5309.95 5356.62 5360.23 5155.52 Coniferyl alcohol 1892.05 1043.79 651.97 1538.33 2740.27 954.62 711.86 6671.97 8382.83 713.27 1860.67 1325.39 299.62 983.6 4757.53 2696.27 1381.41 3371.98 1966.36 9094.91 3373.27 672.47 820.27 475.07 2693 1588.64 589.54 1315.02 2850.78 1383.49 3126.92 2128.59 1229.35 319.71 317.19 1463.67 2344.76 615.73 573.08 516.56 5231.6 5137.95 666.21 1007.35 4591.7 1191.73 7442.39 1074.6 1725.12 2081.52 1983.48 645.42 1197.62 771.34 2526.29 1599.63 573.93 364.46 4720.19 604.06 858.46 741.9 1591.04 476.62 1679.97 1517.29 4978.91 1214.34 1670.06 4350.64 6925.24 848.65 2118.14 1767.29 1605.06 2431.73 2523.88 2696.35 2762.58 2526.03 2574.18 2536.55 2706.02 2707.08 Vanylglycol 18695.93 18010.17 14020.39 17984.89 18199.91 15456.99 28882.25 8402.09 23771.78 17692.75 45189.43 25709.88 9981.55 19872.12 37246.3 51160.55 57686.12 24150.79 26572.7 23005.28 13985.59 6508.99 3952.54 15187.75 16515.42 17387.29 11565.23 5617.21 3489.14 3569.99 14463.72 16923.04 22099.59 11542.84 17201.63 4202.88 22304.66 5479.79 17940.63 17795.5 5679.4 21086.28 24771.18 26047.85 8699.84 25403.32 18024.86 26180.9 3789.61 30554.04 8537.18 20401.05 20425.64 29263.84 20794.33 24947.77 25555.3 28254.15 32831.95 14461.32 36638.95 17858.52 33609.77 53250.52 66629.18 23678.96 31249.34 23336.29 37926.66 29321.82 38225.84 36735.62 56466.45 47916.03 48494.5 26678.55 26668.79 26297.97 26291.73 26468.66 26654.74 26298.8 25492.33 26722.52 Tingenone 1637.33 3489.7 637.79 4191.09 1792.77 3246.46 1258.23 613.68 3485.58 7256.33 1575.01 3701.82 4051.86 7314.04 4877.82 2948.12 3490.24 3021.32 4597.77 4128.86 849.28 416 951.2 362.16 857.74 1020.48 774.25 908.86 450.82 1275.14 1416.53 740.35 406.52 643.66 692.83 1265.19 1071.85 371.55 1130.7 734.08 2944.18 2801.03 2123.6 1098.66 7926.98 9902.86 1763.19 1550.43 2457.54 4127.45 1939.67 3229.19 978.77 1881.72 1144.44 682.85 994.31 1018.03 684.68 1427.3 721.99 922.74 991.51 973.4 1185.79 1669.51 2963.09 2317.91 1383.96 1805.91 1959.13 3507.01 1575.7 1872.53 729.05 2422.44 2370.51 2474.97 1767.37 2349.94 2349.02 2356.3 2495.96 2475.14 Fumarate 2436.23 1475.11 2197.26 5061.78 7108.71 8063.42 10151 1711.92 3034.17 1039.24 2726.35 2936.9 4435.65 3959.17 1974.89 3057.34 3474.61 2129.36 2258.6 1905.9 1184.53 2632.61 2699.71 2222.45 1009.67 630.37 1407.45 1593.8 1397.59 1754.92 1240 4399.98 453.23 2551.2 2583.85 1480.63 891.63 877.4 3273.03 1405.34 1996.19 1509.66 3188.37 4567.73 2244.13 6587.94 2375.87 2197.37 2565.8 3239.53 1440.62 1454.72 3086.5 4827.88 2034.88 1737.47 3309.79 3776.94 2256.52 4427.66 2887.91 2432.31 2249.62 4100.92 2007.94 2453.45 2768.51 2376.04 2737.97 4292.44 1710.68 3359.04 3220.04 3324.24 6156.24 3886.98 3900.61 3697.06 3921.58 3856.89 4386.54 3703.58 3171.91 3847.26 5-Methoxyindoleacetate 3288.06 2381.83 792.4 1658.05 2969.67 4394.58 7287.91 6476.88 6892.83 3669.78 9397.16 9955.04 5474.15 5230.95 3627.92 11254.11 7570.06 4037.8 10793.62 1157.71 3651.7 2849.07 2483.53 4786.63 1932.27 1549.26 555.78 4529.39 450.66 3777.76 2568.2 7241.61 1953.31 3486.74 4160.22 1759.57 1552.46 997.61 5850.16 1619.22 3907.42 5665.75 6152.49 7545.31 4414.29 9281.96 3551.89 5669.88 4631.98 10287.81 2886.31 4527.43 6963.47 7504.62 4772.17 4564.93 2256.85 1035.23 5681.54 2474.11 6437.1 612.91 2664.33 4538.71 5118.91 2814 1373.99 8273.59 8713.91 5142.44 4188.92 4493.21 6975.67 3403.94 7657.14 61763.22 50600.05 28052.22 64767.09 43047.33 28022.93 15064.89 61669.92 27594.4 23869.82 12295.19 12384.0 43160.94 63898.58 33401.79 41084.67 23906.35 52606.54 74120.66 49935.73 64475.4 47090.77 30206.14 6091.98 5791.43 6091.06 5689.7 6169.43 5656.75 6133.26 5823.97 6092.18 1,8-Diazacyclotetradecane-2,9-dione 31577.77 39814.22 31639.9 8449.76 19358.03 22146.64 16687.65 25520.93 24661.31 36302.4 30806.51 24180.93 20555.72 33176.69 29746.9 28440.07 36480.84 27953.1 35001.07 27832.26 37074.36 24192.38 48150.81 53615.05 49397.13 42348.38 56155.64 51303.42 45653.78 51361.14 43069.89 34292.1 45134.59 33079.85 43639.42 53062.84 41405.44 41103.87 39512.04 56112.55 27988.63 34585.28 46876.07 39737.03 27599.98 18415.63 29640.87 38284.31 44308.55 30757.03 37517.56 32363.58 41879.23 36531.21 35443.4 35128.13 37333.12 33441.64 31087.41 19511.07 45915.64 35497.94 33133.18 35882.01 38912.41 29563.17 29925.38 37601.01 36347.31 28381.35 26202.73 32946.81 26032.55 27947.35 25926.65 21982.77 21771.26 21764.01 21134.12 21912.51 21756.03 21969.88 22753.8 22020.39 Cetrimide 3347.75 1638.62 638.29 804.33 3122.63 1691.58 1847.2 6688.54 4999.37 743.64 457.17 6676.65 375.4 398.19 3537.64 1906.79 313.82 1073.13 258.43 3989.26 5112.34 988.86 492.14 266.47 5966.5 5404.54 851.79 547.23 2302.13 1204.97 945.49 667.26 1340.6 1085.04 534.42 6173.44 6902.64 848.45 1449.11 678.08 621.93 8892.13 275.92 279.81 6371.71 1424.92 2333.4 2119.03 1731.56 2071.3 8558.36 3320.87 905.1 954.65 6685.15 2543.3 995.82 679.17 6679.83 1729.1 1207.12 248.32 4511.67 303.16 661.41 7316.77 2743.19 1263.16 332.3 6284.7 4717.32 2137.38 402 415.78 1502.18 3410.08 3467.3 3206.95 3426.64 3319.01 3336.75 3465.81 3469.68 3836.03 Benzosimuline 19695.42 3994.45 1169.8 3259.27 19957.75 21753.26 6471.92 12156.86 19656.23 5022.01 4160.22 10682.7 12321.11 8187.92 15924.5 6038.05 3087.92 1801.25 25677.53 35186.86 2093.2 417.28 524.53 5797.45 1958.19 1828.52 357.02 603.86 1798.24 14230.45 9541.48 12448.67 1990.18 579.16 1290.98 1133.9 5870.45 438.7 919.19 2664.1 13878.49 30725.19 1975.18 2520.57 37392.3 9251.71 11986.27 1934.2 4670.14 14025.04 24060.57 7058.11 963.47 2837.54 20013.66 10232.28 1953.5 1829.45 7360.69 1973.69 1373.73 641.64 8453.61 854 2583.99 24931.01 15903.47 3421.79 2289.81 11889.02 10656.04 6440.21 6777 8861.52 2646.11 11843.24 12097.13 12027.21 12140.63 12058.9 12775.75 12045.4 10744.07 12131.71 L-3-Hydroxykynurenine 8303.97 8720.8 8001.59 2301.42 5014.22 2470.57 2960.02 2705.59 8270.43 5527.2 5417.44 6075.75 10549.25 8204.51 7109.36 1562.92 4946.41 3337.71 3417 2903.13 1899.98 4486.73 3996.49 8472.55 5709.16 3257.62 9560.22 8799 4295.86 4937.87 3867.17 6607.28 4129.14 11023.28 8884.16 4010.05 2795.36 1183.07 3549.87 9313.64 4074.05 4790.18 5651.67 10269.25 2061.18 1958.55 3800.31 8113.55 6617.27 2578.19 5469.37 1753.96 4455.57 9964.03 4448.23 10728.18 7664.9 2805.9 3112.83 5492.63 15012.86 3412.91 10885.66 2520.57 4490.57 10747.64 1627.43 7801.29 10463.8 4942.95 3610.1 3144.51 4766.5 1085.21 2711.95 2809.36 3150.01 3373.79 3320.18 3286.52 3205.86 3332.27 3196.93 3411.5 N2-Succinyl-L-ornithine 5418.46 5704.59 6171.5 8330.13 11536.92 5475.25 8488.76 9885.97 10467.49 3289.98 5207.01 7229.98 7548.56 5594 10393.89 5609.82 4509.06 6738.16 5482.16 6517.89 2710.18 1550.37 5022.55 3440.74 7234.7 6478.29 3142.36 3746.22 7079.97 2535.21 2593.98 4047.43 5690.5 3406.74 4470.99 6876.26 5798.23 2734.54 3592.51 5662.94 2609.8 5590.05 8782.53 3778.39 4320.58 4267.13 4915.48 7050.87 3874.11 5279.56 7835.48 5635.79 5979.31 2705.03 4984.47 6997.69 5247.03 8959.88 7228.16 7521.44 4013.56 4396.9 9898.3 5906.52 8740.71 7133.31 5696.51 1926.91 5399.61 8343.79 8012.4 2773.51 4325.63 10576.12 6724.97 7952.32 7129.96 7630.55 7651.02 7638.57 7613.91 7816.01 7884.22 8857.83 Oxyayanin A 82623.22 102448.09 24728.6 37621.14 112935.43 74137.01 64122.81 99559.04 106546.63 34089.78 102272.81 45021.09 49999.07 40607.53 100401.49 66605.91 53250.36 111771.88 58483.68 174114.1 77381.79 23091.34 25292.19 39834.5 83690.99 67284.13 25273.38 38734.02 117213.35 37683.17 110432.33 76609.8 77305.51 19651.15 33067.59 62375.96 103310.91 22636.65 52129.16 40245.08 129078.76 99553.95 66024.97 62849.97 109414.54 25417.13 142781.34 93967.75 29448.1 139410.75 45873.23 90602.56 61678.11 46879.26 93349.4 102752.12 29238.23 46006.41 106830.55 52370.46 51713.31 23067.01 107791.48 59048.62 72549.51 76584.97 172622.59 42742.88 63702.21 123029.6 114363.26 90597.87 109350.79 85262.66 58931.09 94347.72 96203.99 94329.96 93993.01 96931.29 94077.07 96936.37 97197.71 91013.8 Diphenolic acid 1377033.54 761129.02 243415.72 389510.71 1347600.76 896115.37 796060.58 1744175.5 1793353.9 1181503.04 866196.19 1342026.8 736492.67 789559.11 1488171.15 1120147.04 732460.88 1480841.39 1202262.34 2176440.84 1362084.67 454559.3 431765.18 498016.7 1274459.49 862558.24 546701.06 941968.19 1450769.72 1227616.16 1320054.8 932193.97 855717.58 430723.3 368200.73 1281678.63 1309004.16 292250.98 734215 618541.49 1977855.71 1748796.11 539721.39 702790.06 1650654.77 879020.61 2006238.26 951676.49 1064380.18 1444254.33 1128281.04 719837.84 513209.52 673187.73 1239801.12 766900.15 231123.24 270511.4 1430183.39 505382.78 533208.04 482318.03 882186.3 693426.03 1037954.67 1412762 1378289.95 1109632.68 1204620.75 1560722.79 1706931.61 1131350.03 1339362.55 676026.65 914067.83 1308527.21 1310465.57 1310508.02 1313200.98 1313111.27 1313082.42 1306046.82 1305851 1305861.98 Trimethoprim 3503.86 4435.11 5914.07 5333.59 7405.25 9332.66 9104.68 7898.97 8203.51 8566.66 6121.15 8449.87 3630.62 8319.19 7069.61 9440.24 10302.09 7183.41 9024.68 7932.78 7958.51 6929.68 5770.22 7093.02 6139.04 5379.49 5372.37 4920.57 4753.14 5309.01 4857.05 4928.13 5965.83 5816.56 6215.84 5548.22 4918.83 5435.08 5284.45 4417.06 5717.04 6241.81 6158.38 7229.23 8421.99 9742.25 8650.86 8455.55 8704.97 6277.02 7651.87 7849.28 8483.35 6279.74 9003.41 4422.8 9851.3 8205.75 7409.02 7309.75 6647.18 7505.82 8435.85 6417.01 7007.12 9751.39 8386.24 8619.07 8382.23 7598.36 8341.74 8023.81 7264.77 7877.01 5117.45 9992.8 9534.26 10198.34 9974.99 10143.35 9988.96 10144.18 10147.83 10149.03 Kalihinol A 10038.61 18072.09 9070.13 10163.27 142476.83 41968.92 40944.99 69934.28 32377.08 1468.5 2940.42 34636.97 90396.07 55643.78 136415.94 38350.71 38526.66 57067.12 96062.04 91754.25 4003.65 1205.35 7901.18 5499 4663.77 3967.22 476.44 710.52 22498.14 7878.16 29454.67 28248.17 10707.97 7971.35 2201.76 11942.86 4559.13 3455.08 660.35 5390.76 122146.95 36962 6614.95 8450.1 80079.71 25771.28 63635.51 13757.12 3987.14 97091.56 2523.03 23956.7 402.35 9606.47 32300.15 15417.33 8016.42 3493.67 9469.07 1407.18 354.13 12656.35 16225.36 7570.19 9406.08 9791.82 84933.85 3347.26 21246.22 18033.84 3503.37 8112.12 14796.75 24727.45 14187.77 21728.16 28386.37 27008.51 27969.11 28382.36 29124.79 28377.18 26822.19 28611.88 Sphingosine 1-phosphate 6900.03 8180.11 2320.09 5650.1 6600.33 24043.84 3631.27 22792.02 29932.41 2796.86 5022.33 24559.89 686.16 5168.92 53295.7 1125.29 7575.36 32921.99 1781.41 26030.66 11165.15 6100.75 333.79 3159.45 9562.21 11773.56 2186.49 357.28 36518.15 8563.57 15815.7 8808.12 24117.33 2721.25 3068.65 9110.55 4448.13 3185.93 906.68 584.59 18431.33 11877.01 468.3 5550.09 16927.09 776.11 33462.98 33484.7 477.09 538.94 7333.28 7521.88 604.36 5073.59 6986.41 11212.6 3064.65 2799.03 15862.35 5068.43 482.03 461.99 20146.77 1147.33 433.08 26634.84 34114.04 5378.86 667.42 9987.12 16543.79 8753.35 620.1 5288.39 701.63 11933.8 11537.59 10888.28 11667.37 11420.57 11919.41 11922.53 11390.41 11923.9 Homodihydrocapsaicin 3255.94 8881.07 7558.71 4861.88 11729.54 19585.83 7296.23 8852.77 7317.29 5405.59 4907.24 13947.14 4572.21 6563.69 10236.07 5518.14 8317.01 7910.83 6127.41 8992.69 15654.08 6113.12 7816.19 6315.56 16344.55 8098.77 3468.32 4018.51 17267.51 4519.78 2100.98 4033.15 16760.19 7438.47 4728.05 15354.39 5853.58 4291.05 5274.43 3286.8 5583.25 6667.94 5122.97 3514.33 8989.52 4681.94 8606.46 11651.18 3325.11 3073.39 4579.14 9767.44 3672.4 5059.17 16890.15 20711.58 4909.42 6978.05 20029.66 8591.61 6710.69 4838.62 11029.25 7101.55 4948.19 15091.74 10900.67 3372.8 3508.45 10576.52 7415.15 6733.54 3526.8 5061.31 3344.01 8906.67 8813.31 8811.23 8906.67 8810.96 8908.02 8910.37 8366.73 8811.67 Escitalopram 18331.07 2912.82 2098.94 1457.7 7739.77 18689.59 16088.25 31458.58 34256.7 20652.96 54305.9 55125.01 60616.85 39303.67 14668.83 40790.13 11375 17941.93 50880.74 17816.61 20911.44 677.24 17089.43 24101.63 14433.91 16574.08 15523.93 32382.4 11062.3 23334.05 5860.32 25821.37 7169.59 17650.9 25851.66 10731.97 18354.04 3743.2 30143.54 8703.02 11696.36 19672.63 20039.69 53802.4 10062.83 34866 8206.07 31369.27 24340.92 36880.14 13627.59 14514.84 49606.38 32836.95 18284.58 3291.37 3829.64 3579.02 21159.64 11965.31 30825.58 29840.4 12772.54 9718.57 12944.63 22203.81 49973.83 49777.4 44823.2 21095.8 10860.74 1631.17 37360.29 3014.82 27953.01 25581.47 26606.72 30494.93 25818.75 22925.38 26438.67 26627.31 25640.81 26655.84 Samaderin A 80146.28 64625.97 15338.4 26870.98 90839.4 82326.1 53881.25 25183.5 72924.41 57418.06 44480.07 60394.51 23959.53 46433.41 110713.29 70949.94 55738.69 122611.87 75246.3 190141.04 79967.25 25781.24 14184.04 25456.31 65651.27 51946.02 20806.25 34610.44 103673.7 42187.49 77928.29 49987.84 59073.1 17443.14 12762.87 63835.95 78853.91 16349.21 38135.13 30909.53 115109.4 35319.86 37975.38 41839.22 142281.78 44123.36 30815.54 64354.47 40200.18 90318.2 57464.75 38379.74 34031.37 5101.74 52230.66 62350.63 5779.85 21011.96 75703.21 29845.62 28987.48 26768.33 69690.24 50588.77 70916.87 87654.3 122160.91 57649 75247.04 108242.61 138024.05 50608.27 103062.35 54635.91 63335.64 78642.43 79140.95 80451.92 78734.87 80463.9 79009.4 76441.98 80759.78 69147.37 8-Hydroxydemethylclomipramine 6835.47 114198.7 12121.95 33186.05 6913.85 130828.43 90029.42 23695.95 12321.5 41753.64 3605.36 39144.48 50376.93 42415.13 57014.57 12706.82 28786.21 44580.88 221813.69 172099.45 5883.71 50992.07 11687.77 10706.34 15842.33 14954.91 993.18 3433.19 17126.45 29838.8 46408.9 40533.06 6403.15 2421.81 12434.4 24191.84 8279.69 9398.74 13305.68 9402.81 75805.82 41607.95 96676.66 26608.53 6765.5 46906 332742.02 163881.73 4568.87 64787.4 20360.37 137099.17 82129.32 5206.94 9208.53 86037.02 8169.64 14873.7 41755.89 17212.56 23785.39 70317.5 50007.2 83254.04 94882.26 38072.1 145941.14 35014.32 38823.1 9678.45 58737.91 49184 15027.14 58569.51 37690 31891.8 30575.64 30887.57 30761.06 29103.04 30446.89 30610.45 29466.18 27064.55 Stanolone benzoate 17592.02 34109.51 28396.3 36313.31 47995.62 29993.32 54706.69 43828.79 42394.54 45026.54 35791.55 43264.3 41207.13 47509.37 23923.17 36331.32 56460.51 30224.03 56237.61 33463.5 29111.75 13688.85 13202.35 17309.68 15721.52 10729.73 12926.3 13176.47 14679.64 16090.9 22269.29 12652.83 13910.33 29533.63 12670.04 14635.09 15696.77 20250.76 8079.38 22890.1 49138.29 36914.66 24592.62 36104.83 48630.23 45993.35 41933.23 36398.84 20524.81 45537.05 31753.65 26692.29 35444.08 34307.49 23751.09 26173.46 24426.93 37614.41 35501.58 32378.88 51280.49 40117.05 44272.48 31129.16 48162.85 39960.06 40905.63 46483.14 31380.74 34305.74 38289.74 52184.9 37158.07 44090.15 52542.15 40116.88 39199.89 40333.45 40624.92 40520.61 40124.73 40131.82 40646.05 41624.27 Somniferine 1272.84 1239.61 538.4 366.5 1690.49 2695.51 2420.41 2250.75 9182.53 884.71 1757.33 677.84 1930.55 799.01 910.66 261.92 1096.81 2034.92 5984.66 2184.18 959.7 20327.56 295.61 236.04 1265.98 1949.66 721.46 570.03 1070.07 938.98 1932.6 737.51 840.52 314.68 595.66 284.8 842.37 356.19 1876.87 614.73 1130.22 3825.18 1428.25 1607.23 490.59 562.98 1505.58 844.78 492.87 933.45 2496.08 560.73 753.36 839.21 1034.75 1899.68 985.16 871.72 417.58 757.7 665.87 1030.69 858.09 396.2 605.74 1913.34 1966.84 758.77 1477.83 1769.26 3808.45 995.87 1099.09 1467.68 3623.36 3121.86 2112.72 3026.75 1526.94 2385.83 3413.42 3033.04 2914.34 3292.75 Tutin 18685.41 19671.73 7150.71 13957.37 13489.23 21335.04 5226.43 8217.56 22688.45 19711.66 16121.28 25725.84 24834.43 24501.2 26697.86 23156.13 19182.36 36079.99 38403.94 57887.69 8195.08 7468.15 10594.22 7642.23 4556.09 8217.06 4584.57 10021.6 20080.66 10395.99 16704.22 28730.02 5809.2 8841.89 6524.75 10345.65 6775 3096.56 9855.84 4987.97 32525.41 33266.84 15047.99 13978.5 39270.1 26951.98 37197.49 7059.76 13263.21 41780.27 15554.03 26724.76 16324.97 19030.43 12192.54 23693.52 3694.67 7922.48 16657.9 5965.12 8864.59 8642.74 19414.05 16840.12 11500.87 29162.1 38298.69 15757.66 13638.75 13641.19 13036.2 21926.08 9512.07 16962.53 13428.49 20639.51 21900.88 21204.68 20501.78 20764.57 20571.88 21288.57 20522.52 20274.37 L-Dopa 975.57 789.74 1673.44 578.17 2047.68 3605.85 2678.54 5067.47 1789.71 1783.79 1469.21 4012.9 2538.99 447.28 2120.69 1435.69 411.22 1303.45 4066.27 1597.39 1030.43 917.89 695.36 1815.61 1089.01 388.32 688.51 740.16 1714.64 429.54 800.65 781.47 1555.07 413.85 771.12 2776.46 712.72 676.04 1019.87 689.05 1390.19 1206.36 465.85 1151.57 3344.74 3432.9 2100.37 1721.64 2379.82 1407.56 486.11 1379.39 653.17 1895.91 2077.6 1453.95 482.6 931.11 1332.33 1212.16 681.01 774.94 1990.54 626.79 913.22 2421.37 1411.92 2132.36 2893.06 1832.64 1417.14 1765 1084.01 1378.75 3190.18 1751.48 1951.12 1689.63 1719.98 895.26 1624.01 1839.55 1845.44 1929.05 Formylanthranilic acid 1051.15 739.82 497.46 1688.43 2704.93 1279.06 2426.15 849.77 533.53 1523.64 951.89 2070.82 2394.81 756.87 1406.8 2482.74 2591.19 486.02 796.21 551.68 663.43 1271.05 1258.88 1110.52 1119.06 691.81 1149.07 1413.6 3002.8 542.02 932.86 580.78 1122.6 659.36 678.05 902.77 605.42 392.78 1403.96 666.54 1030.47 635.36 930.76 1144.28 515.75 3553.59 1254.13 867.99 3953.69 1362.41 3021.8 945.83 1207.92 2039.79 1718.75 775.98 952.02 761.81 992.13 1293.33 1771.13 2100.13 998.32 586.65 917.51 2514.39 932.93 4272.89 1098.94 844.71 859.04 1751.75 598.57 2580.74 1499.44 1817.73 1899.35 1914.26 1769.63 1547.94 1907.55 1902.87 1880.36 1884.71 alpha,alpha'-Diethyl-3,4,4'-stilbenetriol 2104.71 3065.14 587.23 3591.29 1989.23 3601.09 3094.9 2351.68 2173.56 2676.97 1401.33 2674.98 3215.19 5251.35 2778.29 1593.59 2862.62 3332.47 3867.45 3073.95 719.8 588.55 631.65 990.29 366.54 360.11 467.72 590.22 1192.02 571.84 1272.89 937.63 621.16 623.63 552.54 596.8 788.03 807.54 494.38 575.19 1598.14 1194.62 907.22 1828.34 4525.71 2370.5 1863.14 870.64 892.35 3023.71 1097.73 1472.12 1162.73 1173.82 1312.39 1133.81 629.38 1742.92 816.82 1633.54 1584.74 701.46 1518.4 1016.66 929.04 776.65 2831.97 1141.88 917 856.1 1512.19 2106.27 981.44 1434.22 1584.03 1654.92 1981.21 1863.07 1817.63 1952.09 1982.99 1916.64 1884.84 2549.8 L-Valine 10887.99 5161.63 10648.28 7241.77 14837.49 9729.68 15475.06 10952.98 10526.62 10253.97 11262.8 20174.18 28904.92 9551.62 9112.36 10565.42 4045.46 11621.77 21675.02 8205.09 7435.24 3138.74 9145.57 9989.26 10747.55 4122.9 8463.43 11674.41 8145.71 2321.24 6221.55 8085.67 4018.49 10959.63 7282.68 11284.36 5837.69 1451.98 12453.9 7932.55 5134.11 5995.2 8864.11 6879.47 10093.26 17196.44 9614.68 20520.82 15257.91 12433.16 10732.6 7175.87 14164.96 16114.92 7687.88 6186.85 6307.85 10335.34 5428.57 6491.18 8543.04 10246.82 7410.26 13927.4 14212 9198.57 7523.16 8353.67 7255.6 9419.52 9107.76 8147.58 13848.83 16577.33 16104.56 12443.39 12325.57 12437.53 12484.95 12548.22 12447.66 12488.17 12316.93 12318.01 Brevianamide A 1456.52 6503.39 4000.14 3279.73 6881.75 12904.64 5796.94 2801.48 2601.9 7619.97 5647.81 9074.58 5170.07 5545.51 15850.76 4171.44 2829.95 18257.01 6153.6 15565.19 6666.23 10126.18 4734.33 3440.78 6310.44 5660.82 1092.83 3747.04 5971.51 3953.46 4662.89 8614.02 10383.75 904.44 4900.4 4674.24 9489.9 2038.98 3865.26 830.57 10792.14 2418.65 2590.63 3124.42 12943.27 6286.61 1971.61 2005.41 5744.92 8661.56 3897.54 7305.4 1578.98 4684.51 5208.07 11715.03 919.88 5558.06 12795.16 4172.98 6377.19 2395.65 9323.5 8368.72 5337.32 8648.89 8478.27 3785.09 5891.06 4958.19 5198.6 8610.98 7650.75 9692.55 4618.37 5691.61 8513.62 8486.4 8511.82 7855.91 8182.63 8200.18 8570.45 9372.43 (8Z,22E)-4-hydroxy-26-methoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione 15198.36 5141.39 1769.48 5272.58 10062.73 8192.03 865.87 25844.7 18170.11 9622.4 6332.23 18173.27 4063.99 7128.37 23380.64 14514.26 1047.43 31552.08 19473.17 33363.48 17211.77 5515.56 6655.29 6415.85 11948.32 9632.25 1307.16 3665.32 19582.14 20519.54 12887.74 15721.95 11480.71 7073.85 4104.72 12333.49 20335.09 2506.29 6305.76 3351.72 9345.18 24795.19 10360.61 8833.26 28808.44 8604.91 20981.39 12400.58 11839.13 19900.32 23202.4 12666.23 8729.71 5004.53 16403.92 11757.48 1039.01 5559.46 25131.93 4152.45 7179.02 3566.83 15900.11 11408.38 12798.88 23212.72 17343.6 9037.84 9499.47 23214.27 16174.4 19052.69 12804.06 9168.42 6950.27 16723.23 16742.77 16466.79 16780.76 16751.88 16331.14 17178.17 16383.88 14288.49 7(14)-Bisabolene-2,3,10,11-tetrol 8588.38 13533.38 26141.84 34790.97 12878.03 23331.72 48358.87 13331.2 10817.34 15780.97 39941.99 28686.29 59217.04 38253.7 12744.69 33561.64 32359.64 13092.88 29981.93 1375.45 12131.32 15086.67 55088.13 36619.75 10999.59 8557.21 21289.2 25744.11 9509.72 4660.39 4308.95 29157.38 10342.45 34996.17 35928.28 10860.39 10607.11 3598.74 41784.37 22532.01 2570.84 11720.21 38181.47 31694.78 13360.23 36479.95 4027.12 29538.26 17236.97 32939.12 11424.78 18118.12 54743.41 51571.48 10840.62 16191.05 32210.74 33453.05 14775.06 5220.21 51391.03 58471.51 17630.89 47037.47 30322.37 16152.38 3216.77 31967.85 27063.53 11891.49 10127.22 33362.99 30038.76 40031.89 40468.5 20042.25 20160.01 20439.41 20430.09 20051.26 20248.03 18895.34 20056.66 20426.32 Hexahydro-1-[4-(9-benzyl-9H-fluorene-9-yl)-2-butynyl]-1H-azepine 1861.29 2975.08 959.67 1144.71 4505.47 4298.74 5413.29 2708.16 2507.22 4032.52 1852.81 2955.73 4443.33 11645.9 7071.26 2592.68 4982.92 5535.27 6411.23 12628.64 895.15 779.69 512.54 599.55 286.04 271.87 367.03 410.57 284.04 444.24 951.37 291.37 308.38 786.04 436.78 350.77 351.33 459.76 689.35 267.22 7039.42 3097.77 1062.1 638.14 8842.53 4019.1 2920.08 1374.03 1281.94 3028.17 2420.9 1999.75 1484.72 1221.73 1156.72 1792.36 866.78 1139.19 496.36 1708.97 1166.04 826.84 1771.49 1355.7 1776.8 1473.42 4675.93 1321.31 1705.53 753.33 2989.37 3985.48 1412.71 1371.98 3245.38 3656.11 4237.31 3992.18 4370.42 3658.15 4995.1 5404.43 3689.18 3922.27 Puromycin 2758.19 6778.84 1074.4 8697.19 5077.44 9269.43 7248.97 2518.3 3528.29 5228.79 3226.13 5722.9 12181.44 2704.79 6577.68 2888.72 7779.11 5681.62 2873.51 6710.43 1523.36 1543.76 1221.06 3427.31 535.44 494.46 1017.43 412.65 2323.49 916.29 1743.67 7486.16 621.77 1314.53 3015.81 626.3 1278.79 1335.87 1033.77 1391.21 3148.4 1817.82 1209.21 1229.62 2486.77 4959.01 1275.01 1992.82 2699.92 509.08 2862.42 5929.47 1739.12 2353.74 2079.55 1530.88 920.38 3118 1314.74 2516.18 1590.25 1481.41 3667.15 1262.09 2891.75 4596.47 2996.95 2129.26 2409.41 2036.91 2671.51 3676.64 4566.72 2737.29 2053.42 4776.6 3368.21 4471.41 7569.34 3827.61 3672.23 3055.25 2672.48 2697.97 2954.67 1953.76 3770.37 2009.43 2314.28 2215.85 2956.49 3190.08 2747.12 2419.15 7332.21 7408.52 4179.45 3455.63 3177.5 2457.49 3277.87 2606.32 3350.78 3103.65 3115.61 3020.32 3997.98 2998.61 3284.52 17a-Aza-D-homoandrost-5-en-3beta-ol 1574.84 1425.84 1170.4 3482.37 14847.39 14370.44 23027.52 1618.16 1717.84 1607.52 1290.37 1754.72 3456.51 1383.74 2451.41 1425.26 1381.99 2280.97 834.01 1323.02 1719.52 2894.61 1920.3 885.16 1242.05 1263.25 424.39 977.93 3298.61 345.94 353.61 309.03 729.16 1442.99 900.58 1098.98 1586.74 908.3 2591.86 882.32 5089.74 2640.72 1387.86 1580.97 1727.51 2825.87 1687.52 1206 403.14 379.46 2033.98 1938.75 1719.5 2083.5 3568.4 1318.32 860.07 1043.56 1915.61 2273.09 1162.47 2454.83 2350.72 1817.99 1545.56 3491.41 2063.73 1596.23 1838.79 1643.66 1213.04 1511.84 2315.64 1869.67 1905.31 4099.98 4117.45 4150.4 4190.14 4101.85 4102.43 4152.1 4099.36 4151.7 Raucaffricine 3752.32 5224.2 3190.17 4933.32 6465.04 1368.91 2742.96 2458.18 5486.82 1299.76 2684.89 5426.44 4777.23 4360.82 6687.15 8263.61 6055.23 8508.44 8356.41 9791.32 3013.86 1042.14 1046.58 4798.21 2781.64 1363.88 754.04 844.54 4648.28 2881.97 5407.33 4659.83 1734.41 1009.2 1135.26 3781.93 2783.77 675.37 3513.29 2768.83 8545.12 5640.94 4899.61 5087.1 7244.68 2786.32 6018.26 4737.13 450.16 12884.31 6866.04 1338.88 3910.25 3665.44 6216.8 5393.93 2651.86 4457.19 6426.8 4162.27 4354.9 961.07 2946.6 5199.15 5590.54 5117.95 7514.12 3088.63 5494.08 6181.21 4806.83 2757.63 3368.86 7334.11 2658.4 5233.32 5206.42 5230.56 2340.22 5206.37 5236.59 4855.32 4860.28 4906.88 6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one 10339868.94 4164762.68 301063.97 953288.44 9207452.81 3852212.92 2912049.28 13306950.13 13232748.8 7840659.55 4029884.57 8830655.23 2958846.92 4035089.04 11886974.63 6719991.98 3766634.52 12414271.18 9081024.92 20333315.3 9341490.44 1383166.88 953911.54 1197502.49 9083790.22 5031368.99 1734492.72 5597076.5 13252964.39 8205770.82 9612420.23 5600520.68 5054159.43 901115.36 666270.64 9070098.87 10281576.61 413258.02 3103297.81 2284784.4 13945708.49 15739251.33 1659714.9 2684258.34 11037166.77 4050294.89 14822646.64 5230349.57 7300245.86 9593914.98 7342868.89 3076953.05 1544115.25 2739668.8 8322819.73 3434279.4 237613.55 332452.03 9454134.87 1351660.6 1329571.04 1165562.86 4392911.35 2909629.05 6185232.2 9654039.86 8323117.32 6848874.55 8060443.03 11172713.04 11906289.25 7578114.84 8328031.61 2597690.76 3864389.03 8176779.68 8190542.32 8204985.03 8218787.7 8218407.92 8255233.76 8177234.59 8115077.36 8190750.71 Homocapsaicin 6383.3 3948.7 875.47 1215.38 1045.2 1401.87 2184.92 6940.83 5394.89 657.22 475.79 5366.56 2341.33 374.76 3312.68 2470.3 464.22 3207.39 2994.43 4935.57 9204.85 1527.36 1889.06 1358.15 10546.39 7245.79 510.28 386.02 1355.32 781.06 1624.23 1308.6 2276.45 1472.91 1057.01 4164.18 5749.89 2789.9 409.05 1822.65 2063.83 8680.26 837.43 1131.54 8265.15 1835.09 3712.02 1752.98 815.27 604.79 6501.12 3410.91 855.95 1537.46 5394.98 7393.07 1129.18 956.96 6987.38 2333.81 1710.95 738.87 5340.91 1073.24 1114.78 12951.17 10522.09 360.57 532.87 8160.47 6870.18 357.75 1525.12 1280.09 1742.03 3361.34 3363.2 3299.12 3372.41 3392.11 3394.24 3433.78 3398.94 3400.27 cis-2-Carboxycyclohexyl-acetic acid 11033.95 6171.98 2085.88 7194.39 15621.47 14549.46 12882.62 12948.02 11616.73 10721.46 12413.26 11411.73 13655.69 10338.22 9496.56 18971.62 7411.49 7759.75 13264.12 4785.79 7441.55 7515.89 5770.7 8593.29 6546.69 4920.42 3973.85 6495.87 8219.04 2487.72 6161.88 10415.04 4949.45 5028.03 4680.44 7553.08 6798.73 1806.41 7129.68 4528.5 9656.24 9672.75 7528.01 9210.99 15859.25 11671.1 35230.93 6653.16 6492.18 13068.88 8333.52 8231.53 10093.18 10136.01 9414.93 7376.71 2978.69 4303.89 10577.01 9628.68 7867.34 11006.33 8302.6 7880.03 7006.54 14578.11 5999.19 9432.19 9468.63 11388.2 8370.63 9610.65 12517.56 11587.53 10630.55 13134.63 13716.87 13033.42 13141.49 13196.05 13180.8 12768.54 12573.26 12691.59 Petasitenine 6721.63 6048.8 9341.5 9389.76 11790.57 9342.83 19977.04 8627.78 8509.52 12632.57 23123 25554.3 23661.85 17505.69 7460.74 23189.76 16717.51 8202.36 28458.39 6126.97 11170.71 4696.16 14809.63 14972.66 7645.82 6009.51 8738.41 14959.76 14334.15 16195.84 5275.02 23429.95 6619.77 10788.73 9673.53 9676.03 7563.14 2124.77 19252.43 8642.51 10479.18 5090.5 22141.39 16761.79 15480.72 22244.88 3475.73 18441.05 15086.68 25399.89 9788.95 3677.89 21650.14 19556.7 7299.67 6951 7796.72 6984.42 10110.53 4115.64 13515.1 10567.26 5970.34 24149.48 17598.12 4827.34 1873.68 19003.93 19332 10340.21 7944.91 16349.25 17982.88 23888.57 21172.6 13018.52 14774.66 12251.34 12374.33 13124.14 12962.77 12132.5 12996.63 12132.26 2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one 3897.99 4135.88 6460.37 3207.87 1441.46 1420.93 6161.76 4967.71 4088.96 7031.89 5076.73 5043.69 2758.39 3962.81 2952.99 4255.44 4512.59 7958.02 865.72 3743.98 4727.43 6270.04 3345.36 3504.68 3148.87 3134.52 5713.63 3927.82 3194.68 3229.14 6249.41 3694.68 4023.99 6249.11 4508.85 3519.17 2468.11 8582.83 2341.32 7399.21 5721.55 11847.66 2580.39 4505.33 3817.07 3119.52 2662.92 3361.58 5570.14 4480.17 5780.19 1877.39 5268.02 3066.33 1066.41 3865.54 4755.26 4852.12 5113.75 6314.62 6898.09 6276.02 5783.38 4120.24 5985.84 6259.61 4106.52 8071.32 4704.16 5089.62 4983.62 8952.44 5324.2 6023.35 5112.87 5212.88 5210.82 5416.77 5211.14 5215.16 5280.92 5277.33 5238.96 5214.88 Mevalonic acid 1844.28 2833.61 4278.34 3981 8251.14 13473.42 7684.9 4912.03 10227.1 3636.87 3718.26 11041.98 6926.85 2355.64 5847.51 6438.16 2425.71 4104.89 4909.33 3397.9 5231.97 9243.25 3228.1 1798.16 2177.16 2595.49 1962.05 2222.58 6705.82 3242.53 3022.94 1829.04 2395.06 1773.08 1533.47 2460.3 2173.04 694.21 1969.38 905.19 5423.34 3370.4 2603.73 1910.02 5185.89 15292.85 5159.84 4792.07 9875.54 6520.11 2317.04 4044.21 2442.71 2664.51 2881.13 2637.48 2978.08 3296.91 3242 9782.11 2371.04 6576.27 3708.95 3373.9 3810.4 5210.36 12707.02 6177.68 2212.45 3733.48 4697.93 3628.5 3665.87 4427.43 3837.94 3323.55 2843.1 2439.02 3103.44 4338.05 3159.39 2153.79 4566.15 2427.71 1180.07 2276.96 864.06 2150.44 3979.39 992.35 2400.96 4025.97 2373.23 3518.32 3325.19 2961.95 3156.04 2244.54 3141.21 5298.51 5457.59 5417.86 5301.58 5327.48 5503.48 5298.24 4601.63 5498.26 Mucronustyrene 2117.2 2695.46 1728.36 4303.85 5284.74 7094.56 6157.72 5175.75 3191.02 5535.16 4114.05 6726.73 7213.21 10457.32 5226.57 2472.62 7691.16 6795.46 11468.58 7506.22 1264.24 1123.91 933.93 739.84 574.93 644.48 440.96 698.57 2040.21 1869.63 388.86 4874.9 1329.38 770.83 1179.53 1070.5 1127.05 577.34 2042.3 575.1 6120.01 2383.05 1329.7 2224.01 10603.9 3554.65 5116.62 3897.01 1986.17 7614.79 2069.26 2560.34 2232.53 1505.73 2372.59 2482.16 1862.19 1736.77 1869.42 2527.23 3894.41 1791.07 2663.93 2126.93 2174.4 2480.61 7549.35 2650.74 4217.01 1827.48 3129.08 3725.05 3045.46 3188.61 2683.68 2691.02 3849.06 3470.95 3602.7 3654.02 3661.87 3657.27 3524.1 3660.86 Fragransol A 27886.4 15241.22 6215.72 15077.87 11949.2 20312.56 18581.81 18501.17 21131.34 8470.16 11526.68 43751.53 59413.65 32402.69 17573.34 23840.13 21630.44 27967.16 29093.84 40038.85 5788.13 3868 5394.76 3556.15 3331.4 3910.94 1671.44 5630.49 5177.49 12032.53 4531.65 36594.06 2972.35 5820.77 4569.23 8126.74 4942.31 500.99 7012.75 3460.57 24311.48 21403.58 8993.31 11729.25 28620 29425.59 20732.94 16121.37 13158.88 102151.76 11649.86 19313.28 36091.88 63419.75 13729.61 10708.26 4546.56 3820.8 10443.29 7597.16 3203.17 5104.48 12088.46 11223.52 11095.84 20429.72 53495.6 11253.33 13090.7 6970.76 9615.98 14650.54 16943.2 19447.31 19440.89 26532.01 30070.06 25924.76 29259.91 31737.15 30463.87 25115.45 35054.25 29453.99 Eurycomalactone 6426.38 3910.53 10319.67 14985.86 6660.39 11104.6 3451.33 8955.28 10090.61 10865.1 14516.74 20680.06 17625.62 9317.5 6532.54 15353.92 11356.2 5649.5 22574.26 8566.45 7000.96 4841.1 14565.8 8476.66 4520.85 3640.74 8346.9 12144.45 6496.17 12377.55 3329.02 11415.6 3262.9 10016.23 6093.02 4524.26 7186.57 1768.5 11672.41 7232.38 2613.04 5975.08 13717.85 10992.73 9050.65 8760.78 6015.94 14781.27 9061.07 16988.75 2435.26 3751.09 12210.76 14720 6189.31 2276.16 6142.31 7042.78 6961.85 3491.74 13634.88 12418.44 4992.27 66612.45 13441.05 7714.41 9179.09 14742.03 15091.82 5042.19 5072.84 12395.02 15949.78 13011.65 10543.05 13882.07 12140.42 12283.59 11145.07 12559.08 11951.17 12159.27 12622.49 12585.96 4-Aminoestra-1,3,5(10)-triene-3,17beta-diol 3790.29 2634.89 2534.27 4000.52 3665.56 1642.18 2430.81 3387.16 5253.71 5735.98 6843.54 7414.22 9792.58 9077.37 3948.34 6735.5 6094.42 3678.77 5396.01 2157.13 2158.63 3110.1 3528.97 1914.72 1900.53 1224.74 1281.09 3551.73 2422.99 2324.34 809.1 4890.24 1514.65 2473.95 2159.2 1817.99 1778.16 779.79 3821.95 1005.73 1706.89 4299.43 4420.61 4303.71 1788.23 4543.02 2938.82 3350.74 4148.74 4042 2742.3 1319.11 3642.58 7607.79 1988.04 3390.43 1859.95 868.8 1682.09 702.76 3262.28 2574.8 2370.24 6475.52 2831 3214.37 1631.36 6041.53 4080.18 4831.78 3905.47 5883.44 4043.18 5876.28 6768.71 4824.35 4688.64 5023.29 4870.68 4543.9 5008.31 5010.13 4858.31 5011.66 Croconazole 10985.91 5243.26 1128.68 2292.53 9635.8 9097.49 5233.17 16508.33 16955.14 6318.5 6825.62 8268.31 1668.06 6445.13 14891.4 9752.56 5828.95 15474.88 12449.6 20169.01 10766.31 1945.24 1607.72 2376.05 10501.65 5859.78 2235.47 4148.48 12301.47 3557.15 5515.66 919.61 6827.96 1152.2 1167.01 7187.3 13023.24 1716 3359.8 3262.2 13661.3 14801.38 4060.42 5102.69 14200.98 4446.6 18669.01 8176.81 4015.73 14699.7 6195.57 6577.9 1901.83 3282.92 9312.22 7264.18 1101.31 1809.73 14569.23 2166.8 3804.09 3274.11 8335.46 6237.77 8345.21 9218.62 12316.67 6670.58 9541.7 14972.4 14281.02 8154.49 10610.34 5861.37 8119.48 73680.05 77730.39 60165.82 70226.25 59786.28 74144.16 83279.85 72352.36 73589.31 60928.76 72752.49 84683.43 75912.99 70602.11 77689.42 68777.79 76704.19 70046.5 72890.41 85926.93 74147.1 74012.13 74354.5 62085.18 71147.48 10193.21 10211.41 9939.07 10194.26 10110.63 10191.87 9916.94 9908.98 9307.82 Koenigine 1568.37 2269.44 562.59 861.06 6476.13 71063.71 3210.19 191.44 700.04 1499.98 1184.88 925.46 362.37 1292.47 900.97 467.56 2152.71 843.15 1047.03 451.96 507.33 2608.3 292.92 746.02 323.91 2941.57 1246.26 1895.77 1060.6 3823.74 1978.85 372.47 397.18 858.17 1289.7 253.6 2373.64 2789.42 1656.92 2702.45 1457.5 566.96 664.13 4256.93 156.86 259.77 443.7 281.44 422.56 147.45 1011.08 1271.06 650.84 805.78 1776.17 2106.94 1032.54 2291.63 1214.59 12493.56 1129.22 1698.95 1924.3 782.25 1955.01 602.86 1476.48 2551.62 2092.02 170.42 1097.86 2488.88 1583.46 6655 1202.01 2714.07 3492.97 3171.04 3220.61 3031.18 2659.23 2327.44 2242.95 3068.67 Tricyclodehydroisohumulone 1308.19 3453.13 197.7 5517.46 4854.81 20400.31 5784.37 3404.09 8831.19 3043.77 1606.52 2765.69 29869.3 14576.66 7930.97 10669.7 6221.92 5312.22 11723.99 12503.85 2572.71 181.09 587.65 1597.98 1132.35 308.99 208.3 2205.01 936.6 1906.48 2160.38 4661.29 200.57 1021.7 308.71 244.56 1146.88 761.31 858.4 1080.62 2331.61 3546.57 656.14 781.28 2786.2 5484.54 2400.49 1013.2 1897.34 12854.26 3319.9 2470.33 5639.8 7522.76 780.02 1007.2 653.24 1637.33 1092.45 414.98 1625.29 1875.82 2393.22 1672.79 1894.03 5582.71 7945.33 3619.68 1723.18 3867.63 3428.88 7768.16 5438.43 9884.98 3180.81 5185.11 6618.04 7919.89 7444.96 7930.16 7891.58 7257.37 7825.7 8716.17 Homaline 67172.24 31560.08 2043.96 6255.09 33703.86 5264.19 9540.15 43658.04 12246.11 5259.28 49761.31 85590.01 43111.73 35414.63 60836.59 34980.54 13644.98 44612.49 62422.77 31174.33 49728.74 6411.37 7109.69 36022.13 28391.04 18581.76 21078.15 40714.79 39263.07 34234.92 28650.32 26661.41 10448.9 2544.04 3397.38 12111.9 47572.8 4225.1 26166.57 27335.51 41935.62 135615.71 50559.18 46740.51 38217.75 25930.21 55667.94 72056.75 19633.43 87040.13 92143.2 58791.86 43903.72 64883.5 75158.93 21639.29 11012.9 3826.37 68119.18 20831.28 59050.59 68929.63 56959.8 37793.15 61886.73 95709.03 52288.47 28133.69 31532.63 72037.83 23686.89 8644.26 92892.36 39885.07 46075.46 114203.44 41524.89 27051.7 8004.49 10915.5 41954.32 116813.66 90188.59 1315.66 11889.5 28484.63 55700.82 76859.21 86022.28 3473.48 84565.13 4899.04 91673.1 202166.11 3428.36 64183.44 59085.74 22885.66 46888.39 31696.31 43842.46 45337.32 48686.76 45353.77 44325.67 45343.71 44900.72 44489 44502.95 2-Undecyl-4(1H)-quinolinone 53260.99 86497.95 26801.54 70568.55 35026.98 46759.13 46433.76 56292.05 60318.14 44465.81 76640.4 43690.78 9852.53 34170.35 133026.54 67729.5 128252.94 112993.31 56567.23 95138.18 46147.5 24860.61 15399.38 26794.56 29957.9 48608.77 33648.61 21055.13 37700.78 89303.39 46729.47 36293.97 95465.77 20369.88 40192.38 26183.37 78689.25 32346.97 38424.07 63868.64 113478.07 31667.39 46389.99 71315.83 44433.9 28341.59 70539.03 75859.92 17906.89 44448.71 33835.59 55027.24 33742.33 37868.99 69404.63 82559.82 71267.79 100845.7 134079.1 128593.67 94398.94 49230.62 95692.11 108347.46 143776.45 45799.89 63582.8 37539.25 58281.15 85511.51 125260.78 91904.27 97779.32 99195.14 72612.42 66496.46 66223.91 66506.93 66503.57 66522.9 65695.28 66410.65 61976.45 65674.06 2-Aminoethyl dihydrogen phosphate 6212.52 7240.52 947.67 5795.82 11571.51 9565.26 2004.23 12714.44 11119.92 9144.88 7787.52 11394.26 7781.82 7714.88 11001.72 7784.76 5419.68 12555.47 14071.68 13651.94 5408.68 6901.56 2287.12 2777.51 3839.73 4100.19 1590.71 1712.64 4239.53 1565.25 4567.49 7142.52 6567.55 1815.65 2540.03 3931.7 5135.99 566.67 3108.78 1492.16 6742.75 8234.94 4979.34 4689.03 12923.89 5474.12 12607.23 15501.14 3158.22 12663.72 2903.85 9006.09 7700.02 2520.76 5461.38 8543.5 3129.2 687.41 11171.75 3215.85 4338.02 6156.17 7393.14 5817.35 9589.85 10750.22 10258.73 7361.17 6698.14 9445.17 9164.88 5462.1 4597.58 3712.94 5404.48 7627.12 7363.03 7492 7773.43 7517.98 7552.33 7521.34 7481.84 7527.89 7,3'-Dihydroxy-4'-methoxy-8-methylflavan 1688730.77 733280.69 146345.87 261447.51 1141144.15 639769.15 421112.41 1997570.03 1879736.69 1604265.61 583918.15 1280417.05 756199.26 669390.15 1216752.49 919148.82 535917.99 1450315.61 1406508.27 1133119.39 1058289.38 349077.01 348278.74 256952.04 1383716.56 1014656.12 409344.11 818330.32 1727331.15 629012.7 1242073.08 1141752.86 827610.9 256811.52 201151.32 1502101.51 982134.59 164673.95 534180.66 355337.63 1494250.74 1931607.69 364628.01 498473.4 2021259.08 679101.52 2171001.38 841698.56 1384324.15 1607657.42 1150630.61 651330.66 361291.76 462781.66 1302397.44 714906.81 118117.56 149718.04 1409486.65 355181.76 302503.88 350862.89 669973.82 488910.09 777141.46 1444829.72 827297.79 1179899.05 1158537.56 1623092.75 1705763.33 1143180.96 902910.82 487019.14 566698.24 1213824.52 1220253.69 1218198.33 1234828.91 1220283.43 1213926.38 1218336.27 1202482.81 1213798.01 Lucanthone 10415.5 18416.61 1809.55 2219.4 15190.36 1358.8 4785.29 30830.09 30534.95 7319.16 8994.39 17623.22 4743.12 4592.81 50321.48 12359.2 6529.17 44720.42 39461.33 70393.3 14373.79 22278.9 4398.53 2767.3 17574.52 20875.79 3402.31 5799.1 15299.05 9051.32 21446.53 4141.83 21507.5 4641.71 2972.45 12911.03 26833.3 2267.84 4932.42 1694.24 15810.06 20739.84 7434.42 518.47 34073.91 5915.17 42121.73 13097.89 7781.51 4815.48 12657.37 21299.23 4462.69 4289.46 5363.39 28352.51 1487.65 6072.33 37587.36 6744.02 2491.94 4251.54 16642.18 9876.15 12265.44 11451.69 36808.38 9226.18 2952.79 41892.76 29667.93 10912.1 9812.48 982.52 6636.01 19699.33 19490.04 19110.12 19260.46 19398.59 19494.66 19238.77 19250.46 19527.98 Piperlongumine 33942.91 738.39 12361.06 2751.87 32237.24 38801.75 17616.55 24687.46 30972.8 11953.2 28975.84 66485.16 65162.96 46986.36 33941.39 44548.29 15005.66 108000.88 25348.08 107469 14215.92 764.91 12353.39 14922.78 13043.92 7006.23 8723.25 16819.92 33800.22 27709.11 57181.13 87089.4 1646.79 18456.8 2953.53 35716.77 11927.22 3813.65 15110.25 2257.73 124532.89 61710.5 2395.6 20378.61 94849.91 53007.86 33327.22 15444.21 20018.12 55146.57 35236.08 24820.17 31744.09 44455.72 43248.53 1396.07 12435.28 646.41 13319.58 4281.84 15425.77 12209.42 10771.4 1010.6 1568.45 54248.19 59636.89 36203 41247.91 19925.23 9396.78 28520.32 26660.75 3420.76 11730.8 38716.68 39577.01 39925.23 39841.66 39798.26 38400.78 39616.94 37216.77 39944.91 4-(Methylsulfanyl)-2-oxobutanoic acid 6710.21 1753.08 5138.45 9219.97 2159.29 365.38 4527.75 4753.99 6153.89 1542.59 8299.81 2514.49 2395.34 8680.37 2072.64 2732.81 4190.8 2413.16 544.49 1219.83 3722.66 3002.46 2633.79 3192.04 1188.55 496.58 1235.23 2386.4 579.45 611.12 748.54 752.87 1921.63 2668.83 2519.71 2376.17 3241.73 361.53 10220.51 1462.48 2222.16 554.29 3978.35 9106.71 3475.52 15413.71 1320.98 3108.95 1071.64 854.69 4822.66 6945.78 4692.73 4492.17 8202.83 3054.42 3630.81 3992.75 1549.24 604.68 4681.52 5087.06 12054.83 3955.57 1658.07 6889.32 4368.43 1621.57 4603.14 6721.01 6130.64 1596.08 12330.96 8033.65 9745.23 4924.63 5001.11 5141.9 5068.36 4293.34 5228.05 5149.23 5002.16 5139.45 Sekisanolin 9029.19 1915.15 4340.58 3419.66 11655.63 507.17 7725.09 18237.59 20877.4 14455.51 23190.65 41589.17 28887.03 21141.44 16119.51 28647.95 17020.88 16897.47 24580.55 26067.05 8019.05 533.76 2718.79 10010.05 8220.6 6145.45 7260.09 11393.68 13864.32 12731.5 14724.69 24187.72 3613 9775.24 8966.26 10648.54 8173.49 368.55 26021.04 2800.93 26089.28 5814.9 12240.34 12384.91 31129.83 19765.66 13394.72 16299.4 14612.45 24081.52 7360.09 11946.14 16771.6 20572.44 4681.79 2067.95 5246.39 3504.23 5541.96 396.91 15678.25 564.05 2987.93 4962.9 6201.29 6429.43 15126.74 22323.68 20562.58 13338.54 10058.38 450 15241.76 3489.63 18492.61 16517.81 17991.33 17077.4 17864.57 17891.95 18614.58 16368.22 18593.18 17213.24 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid 41300.22 15852.32 5996.42 11919.94 21616.59 1162.46 8132.78 41712.39 25340.27 57662.87 32560.12 16243.05 35706.19 21430.59 19148.39 20539.23 30814.62 11055.84 54651.89 25578.36 12753.53 2517.57 21986.04 18825.9 18683.98 12452.5 39625.67 22809.94 6743.54 4600.82 7578.33 27095.24 3993.68 14087.05 10448.74 29209.23 27342.98 3279.2 33393.41 9931.25 12845.15 17692.14 16615.13 16392.62 31165.21 22211.3 82951.17 12167.35 39687.71 48155.53 26981.66 6362.29 6416.46 17078.72 20886.23 10262.42 12969.64 1741.77 15263.68 3028.22 15061.33 28268.1 25015.29 8563.43 12766.76 23209.43 5832.43 41659.47 26500.15 38045.56 38442.68 43195.08 18225.16 14008.08 40275.07 21219.63 20836.96 21523.52 21346.13 20389.29 21258.46 20386.35 19603.58 21285.12 Ancistrotectorine 7714.52 9468.98 11979.58 5204.9 7256.94 12409.44 3856.83 5263.88 12014 3353.66 4342.66 3035.68 4748.05 6152.06 19881.57 8118.67 4254.92 9388.85 5157.18 15243.84 10222.86 7975.85 2977.59 901.01 8532.97 7209.25 2037.5 978.36 6151.16 1354.57 4957.48 1815.97 11624.53 6012.7 2238.95 3626.82 9307.03 1812.31 2202.14 1962.54 929.08 8643.22 4899.24 3561.94 11086.89 3500.07 6250.41 3591.03 3331.51 11201.28 3193.61 12413.97 5142.54 6171.57 8378.79 9663.41 3254.45 2813.89 26955.64 14435.46 4988.55 5598.53 8124.62 6989.49 4922.52 16059.94 37263.4 3666.07 4133.98 10988.28 6212.03 7949.86 5210.56 9934.08 5221.7 8201.08 8455.91 8065.21 8394.14 8300.25 7631.86 8279.12 7976.67 8371.63 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 149.4 376.91 299.28 141230.19 442649.03 143289.83 459549.67 389.19 23816.41 1355.96 610.12 1096.56 57663.55 504.89 15038.38 8871.02 415.9 572.99 16139.36 156.4 832.43 4061.77 7565.55 155.67 337.86 609.66 354.06 3727.71 513.99 6313.87 3930.63 493.47 10206.08 290.11 1655.62 1055.12 404.22 1826.55 8629.16 5030.59 117435.49 348.8 11587.86 8126.89 365.14 41850.42 632.35 475.39 5882.14 1440.47 958.42 10334.45 434.46 646.71 29476.19 994.37 1635.66 7468.19 15784.04 8797 10503.33 2555.57 21322.72 774.91 15430.1 4461.43 11158.15 540.8 408.23 1377.62 214.81 14271.64 10118.41 630.8 2481.58 17305.23 17475.7 17766.74 17468.99 17301.69 17470.92 17473.93 17300.08 17320.59 Orphenadrine 15949.66 17195.36 9273.1 15324.87 21072.1 28858.53 21327.52 21436.25 15550.78 20505.2 17764.72 16913.44 24092 14945.72 23062.5 38729.9 14156.59 13412.27 16081.12 6154.24 10568.46 14181.75 14255.89 12548.24 13501.81 12757.9 13927.94 12932.9 7787.68 1334.61 1921.78 19609.62 18305.23 12045.96 11360.31 12825.48 14656.17 6055.8 16457.45 8205.32 9149.21 33885.11 22487.05 17070.17 20896.5 10298.97 17440.74 14914.96 8427.52 12869.86 29551.25 21888.37 18944.37 25290.88 13139.7 19593.63 8319.04 8822.32 14594.17 15512.71 15820.29 23976.74 18578.53 36859.72 15553.84 49464.12 13425.64 18928.21 11926.97 19978.59 20078.71 19592.75 17894.47 19123.75 22071.61 21692.61 22798.09 24184.2 24163.79 22069.91 22850.29 24247.06 28452.01 21003.36 Apo-10'-violaxanthal 12007.37 24462.26 10538.56 8928.93 14282.2 25543.39 14836.84 25811.68 16046.56 37254.89 14872.27 14864.95 44247.44 25113.49 9792.83 3057.99 5126.77 12741.1 38574.79 22112.41 13091.71 4465.7 3445.84 1308.39 14035.09 1023.74 783 886.01 895.53 913.9 422.58 5137.46 1701.07 934.35 4984.66 4534.96 3004.44 5150.25 1321.25 4094.7 12569.99 11712.03 5379.33 11444.28 36557.93 14068.73 9008.11 5108.94 11547.26 11193.84 14056.32 7765.64 10104.88 13143.49 6703.13 13102.46 6618.7 11231.17 2723.73 13876.74 1062.89 3943.14 41000.13 8960.96 7033.06 1003.11 14453.74 6190.53 6406.99 13384.69 6884.79 21240.63 1396.38 3411.71 13800.65 2889.0 576.04 3299.25 1556.18 2626.93 2572.71 1597.46 2809.26 2328.04 2809.51 2353.29 2250.84 1707.99 3122.07 2601.83 2314.42 13796.18 13376.84 13385.24 13575.36 13847.89 13797.67 13814.64 12972.21 13798.21 3,4-Dihydroxymandelaldehyde 41461.86 29338.16 21632.01 31237.39 55981.48 54491.47 46438.89 4273.86 40061.15 30345.47 39228.3 56427.47 59523.26 32911.47 55269.57 67912.65 46349.89 56373.98 62699.92 63492.91 33790.37 31234.97 31398.47 26600.56 24436.34 21912 17561.47 22090.63 48931.81 30438.56 23460.57 57617.78 27026.67 26925.82 25672.33 30590.7 7800.02 7161.06 36277.32 15672.34 55984.62 63435.39 42664.46 29272.15 39311.59 47936.25 57091.73 47184.06 47376.86 76556.47 48299.36 34896.31 28744.59 36584.12 39909.07 44490.96 17786.27 18609.02 53878.29 33654.45 41638.97 62014.52 44817.7 54285.36 67687.53 53340.14 50979.27 50445.29 36419.7 1030.55 30105.66 49643.39 36380.43 48043.89 50887.53 47489.95 47141.05 47629.85 47926.91 47951.66 47068.73 48219.31 45165.42 47932.65 Sclareol 9440.77 8566.71 9673.61 8015.29 10296.23 7859.77 4790.05 24966.73 7646.49 10308.22 19129.1 11854.89 8622.94 27530.07 15739.29 5425.58 9599.91 13029.2 5954.05 8640.14 9235.42 7442.39 10166.1 9189.24 15932.42 9361.63 12788.62 13925.45 5755.88 5602.19 20814.67 1348.35 11319.97 6153.76 16080.59 16006.49 5010.53 10066.57 7467.08 24292.07 11425.68 24961.9 23986.99 18867.21 9445.32 8203.16 18449.9 4130.06 7942.61 12124.24 21160.3 18186.09 11445.22 13846.69 18274.1 14140.08 7650.97 10915.04 8239.61 24006.18 4970.31 38096.38 9238.38 10022.28 20728.86 5668.2 16827.81 10343.07 14749.57 14297.96 6494.42 5813.54 9736.21 7154.01 12143.91 12538.56 9880.33 5815.93 9290.8 8722.3 12430.55 10035.65 20605.25 13246.11 11671.09 10606.5 5031.75 8288.01 7775.88 9371.09 9877.3 7041.03 9253.0 8922.81 9988.53 11734.88 7283.79 9361.67 9775.31 7454.53 15208.69 14527.37 13982.42 14844.64 14637.19 14456.45 13909.07 14565.83 13986.92 3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone 18867.43 1902.52 16738.22 22528.83 33713.48 4014.33 39207.36 31766.08 9641.96 5643.48 2577.99 5245.17 2394.5 9351.62 14595.72 14710.44 3833.65 19398.38 969.22 8330.42 23041.66 10853.49 16063.75 9634.5 19330.65 4324.22 5542.99 8693.46 51564.52 18222.15 22676.68 626.25 16344.84 32713.96 6994.76 22264.45 18720.14 4957.04 25067.3 14014.23 1021.22 1478.88 14955.91 950.89 6039.75 40384.5 7319.36 19780.24 3393.11 5210.92 48847.25 24658.03 22930.6 44005.33 18176.94 11271.46 15804.88 12662.35 7103.67 16096.18 3724.41 20786.54 6008.04 16013.87 2518.76 27014.86 8091.85 11125.05 6755.6 15414.31 3671.28 4709.43 7600.55 12980.57 26936.38 5913.04 13243.4 11995.5 12230.76 13396.09 12434.61 12428.61 13120.58 13107.86 Dehydrocarpaine I 64035.22 83803.67 67670.06 30648.78 53622.18 723.85 21558.32 100497.64 65571.05 25678.15 100569.81 51877.73 76379.26 84022.08 116882.23 103152.64 90663.87 59088.11 145846.16 112139.01 109297.28 38698.6 89058.4 95784.03 74496.75 12424.78 37033.61 97181.26 109373.64 95564.01 43543.82 27896.22 57785.84 53142.27 77655.19 67609.01 92929.34 24576.33 70746.85 56320.03 10936.92 100369.26 142768.62 111166.43 85744.31 42949.23 302830.06 225725.35 110690.37 82939.67 143668.97 96876.44 124304.58 126232.36 123478.05 38710.09 55921.67 70582.26 70960.78 22027.88 109468.71 86339.99 107785.61 176225.89 181744.71 155333.4 59221.85 96258.85 76556.26 111369.14 70165.42 71328.09 47799.72 122420.6 119027.8 74090.37 77701.05 77832.99 77724.98 77119.01 56776.32 77714.6 77770.34 77746.06 3-(4-Hydroxy-3-methoxyphenyl)propanal 1540.71 4506.35 2214.56 1520.17 3446.55 1888.4 4404.59 4921.58 4693.02 6285.49 7339.91 3646.37 5712.6 8126.98 4998.33 5216.04 7111.34 8341.08 6540.95 7188.46 2778.98 3945.49 2608.88 2828.56 2243.92 2259.99 3075.17 2847.56 2964.49 2553.07 1312.09 3253.89 3089.01 2038.24 3016.65 2301.87 1584.06 1550.06 3533.97 2460.76 3310.98 3628.89 4511.33 3783.22 7937.45 15004.5 4572.62 5195.33 8092.71 5643.89 958.79 5011.63 3875.6 4625.93 4615.83 6565.42 3687.75 3893.92 4854.71 5387.72 5167.85 5197.24 5029.13 5104.67 7789.61 3596.21 5409.42 5336.5 4827.33 3862.61 6600.39 6539.48 3515 6079.98 4896.51 1604.44 1821.54 1766.49 2483.54 1537.16 1859.32 2721.06 3198.68 2449.63 1804.66 1731.27 2363.68 2482.71 1697.84 3614.58 1236.3 1488.17 1944.48 3606.75 2074.33 2096.62 2296.82 1931.48 2307.46 2105.77 3738.19 3740.34 3430.48 3437.47 3405.54 4014.98 3342.08 3921.1 3225.56 3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin 10930.87 9431.04 2053.55 18964.66 11657.47 33765.43 2297.07 1787.18 1089.8 2591.54 1890.91 2958.79 18424.4 32840.77 7744.54 4061.92 3670.3 9080.19 21724.28 8418.15 1052.63 870.89 881.37 1312.12 1013.42 945.37 928.52 456.53 4768.49 5363.08 5071.99 18308.48 1155.31 2043.93 1260.68 363.68 1722.74 735.9 1748.64 543.82 29610.81 7784.95 1211.04 1969.42 22856.08 10623.8 1842.29 1337.14 1395.17 74172.34 3345.78 10578.51 3887.7 7547.02 5487.27 2199.67 761.33 1106.74 842.91 681.1 1126.85 535.46 1362.17 2544.7 3288.08 4824.06 21091.63 1052.73 2574.91 778.86 2056.72 2105.97 1470.78 4632.28 3165.74 3102.96 2855.63 2805.5 2771.4 3107.52 2491.56 3153.02 1121.07 3712.47 Estradiol benzoate 109750.14 103334.8 74485.44 174783.64 140784.09 135751.57 132431.27 125052.17 114615.89 109561.69 92202.55 182554.47 239789.67 151494.17 166936.32 180519.07 64895.54 258550.14 227492.87 268835.48 77210.6 48234.03 46300.02 7748.98 58715.79 39546.5 26007.99 44547.17 95657.86 94652.72 90918.33 142209.05 57349.6 46406.61 52778.51 59482.38 53795.31 1493.79 53535.95 42906.4 180217.3 113656.64 80143.12 174181.5 188251.55 129073.91 169655.71 98214.57 76213.75 508018.69 74808.2 136464.42 86745.57 97414.05 118828.16 114427.25 56303.05 93567.51 132299.24 94981.29 129341.31 70621.01 157841.09 101261.93 144265.85 133357.02 217951.29 85895.8 122739.66 99570.5 102338.53 131482.53 92346.1 178950.81 124440.9 123337.76 124978.88 122524.92 124917.52 126939.12 122675.79 122633.89 121027.5 127295.82 Megestrol 1904 10245.87 8624.68 1657 1985.19 7967.65 4320.34 12556.59 9818.59 6328.78 4394.11 14912.64 869.39 8794.98 10549.02 6488.02 4505.22 5888.38 18502.82 10586.76 16020.73 10021.51 5911.4 6084.79 17409.12 16705.22 1161.75 3137.57 11835.68 2718.95 7130.17 7301.12 20342.05 8602.35 6931.53 18870.26 9250.15 6642.32 2247.67 4346 8016.17 5889.55 5123.88 4790.74 7927.8 4348.16 11940.97 12476.73 6565.87 6115.99 2842.7 10917.87 6917.97 5102.6 25415.15 29504.49 2007.57 5252.16 14703.27 4740.14 1820.71 12465.55 5591.22 6736.24 2868.57 21729.65 17359.68 4286.59 2276.96 15150.3 6682.57 22268.82 6079.74 2554.48 2721.31 8262.8 7797.82 7816.11 4246.96 7726.57 7742.47 7826.95 8279.96 8277.41 Daphnoline 562.81 780.08 1006.29 460.31 4578.84 1592.99 6283.17 6477.45 2232.2 3290.62 2658.3 753.66 304.57 486.98 6667.29 24745.15 7015.03 46900.74 106477.49 6469.3 556.07 12576.71 1127.14 2702.7 1221.06 20455.47 420.04 181.66 52427.6 15842.08 285.91 2868.4 4418.58 969.57 2533.58 190.96 541.19 203.15 742.33 476.53 649.19 1325.06 10860.94 4084.12 6594.69 3757.2 9759.86 23550.9 3228.02 8790.98 498.34 1237.23 4407.92 1879.81 1805.76 3765.5 352.34 5094.76 4423.67 831.29 849.24 877.16 7945.08 14410.69 27701.29 246.08 506.03 5401.45 5268.59 4604.1 1252.65 8184.11 974.43 9875.61 4160.3 11236.25 10186.38 10798.64 11295.19 10845.05 12611.46 11478.5 10221.93 11162.49 (3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol 3541.22 3000.94 11034.99 13502.51 3080.26 5439.37 7051.6 3652.95 4571.04 7390.63 10849.3 9678.43 9432.35 9122.22 2266.1 9143.77 8605.46 4707.14 16757.25 6630.33 5094.36 6238.74 14087.09 15676.17 3713.42 5012.13 8689.07 2758.23 6599.54 2778.23 5237.74 10247.61 1672.6 10083.17 12901.16 4050.18 5123.8 3359.02 11759.6 10075.61 4173.29 3756.21 16265.8 9873.69 6481.32 11143.01 5484.81 13030.07 11122.19 9039.61 2780.45 4875.53 14973.38 12930.25 3092.78 3647.99 8689.21 12772.19 2235.76 5438.91 9999.71 10189.76 4492.4 13461.11 9933 4981.63 7567.52 9397.51 5190.97 5259.32 4916.19 8409.57 11776.4 10095.45 10664.03 6072.5 6140.68 6234.71 5751 6226.03 4697.53 6224.35 6241.2 5810.48 Dihydrosterigmatocystin 5980.22 4395.88 1603.06 2592.64 6137.42 9970.77 1572.1 5116.88 10468 7409.97 4602.32 5131.55 4648.94 3697.87 8822.45 7511.57 1996.54 8539.58 5774.28 12390.87 4433.52 4327.08 1658.17 1813.41 5555.49 3896.17 993.11 3733.63 5910.08 3693.57 8708.55 6019.15 4358.99 2432.52 1575.27 2222.02 4586.63 1426.8 4084.97 2186.76 6975.78 10631.64 2144.34 3347.58 11517.51 4455.03 6757.84 3103.14 5239.69 6080.2 5657.77 7314.91 1875.3 5656.33 4635.16 5119.61 2029.66 400.2 7035.64 6599.44 1959.95 3900.23 5042.45 8768.9 3596.63 8323.28 9781.06 3605.87 4012.71 6903.7 12308.24 5333.84 9364.73 3101.86 11897.08 7114.4 7361.49 8057.3 7127.85 7169.97 7116.59 7182.05 7379.05 7249.7 Epinephrine sulfate 7923.87 5684.62 5112.8 5801.64 7951.35 6507.8 12109.29 19997.65 4983.6 3787.4 7977.48 14994.15 14891.87 17801.01 7955.12 10127.93 6075.89 9159.06 10415.85 16360.47 12192.76 7312.86 13736.49 8136.32 7337.85 3026.87 2757.08 11981.83 16373.16 11537.42 4451.12 19422.81 8023.01 11242.81 7458.53 13698.77 12036.35 1785.47 13282.17 4965.04 27606.34 18266.45 8639.51 8831.6 9390.31 16901.71 3346.78 8611.1 21626.77 21963.69 15651.93 6216.38 12101.91 12177.79 1832.25 4095.81 9854.1 3022.05 4519.39 4476.05 13620.06 12688.11 2030.81 10460.76 16173.32 16424.86 8610.51 8910.02 19360.55 9181.82 4992.92 10195.5 7081.37 7995.81 9347.28 12084.09 11307.95 11341.96 11481.81 9464.59 12195.06 12079.13 11371.88 11511.31 O-Demethylforbexanthone 12648.21 15925.42 6413.59 7040.97 16441.53 8431.41 4319.36 6544.93 48604.63 14281.8 14636.23 2738.24 2711.65 9662.18 35785.42 27531.03 24245.3 23801.67 8850.87 2137.02 7495.46 9793.85 1324.58 5577.64 12145.26 19279.67 16121.08 5274.64 1158.45 5291.64 2297.08 4964.85 2689.8 5053.57 4969.35 6323.31 22005.5 3058.58 5419.35 12512.67 13479.7 12033.31 11042.03 10619.22 6766.96 21739.27 7191.23 1978.75 1691.74 22820.71 19652.69 11472.62 6955.54 14002.21 21981.86 14482.2 34286.93 18468.1 22122.39 5829.94 10353.77 2538.23 33143.52 33142.58 31307.28 27992.82 34939.72 15229.86 19250.31 25923.75 41899.36 33301.91 21163.32 24858.04 13689.89 22859.25 22537.79 22548.01 22544.97 23394.06 22850.28 22785.57 22652.78 21868.14 Hemibrevetoxin B 20746.77 12402.83 177443.64 3012.01 972.64 10677.6 1254.01 28721.94 2640.88 37066.12 30226.61 46931.59 28736.43 17626.57 9822.41 13363.35 89123.44 5139.66 51585.63 2737.19 55820.83 12531.18 102278.32 46922.87 48306.97 25380.18 37744.68 7184.07 92355.57 49183.4 8412.47 51856.77 39338.64 60158.84 24927.61 64140.64 19103.57 5240.6 45071.21 6995.11 1113.23 13827.4 44650.6 11771.43 7555.92 4819.93 26881.67 44016.98 92718.53 18044.82 23886.33 24570.61 23727.68 58273.76 89273.22 2577.95 215873.85 31380.5 12751.13 52131.62 35486.65 77753.95 5852.6 36439.26 21455.27 19647.2 5485.13 23695.56 15870.05 19927.82 7476.34 37883.93 75021.33 70703.38 69088.6 3768.61 5024.75 5521.97 14099.29 7169.34 4537.0 5260.4 4894.81 3610.49 4479.81 8531.73 3453.51 7540.08 5163.47 7024.59 15600.57 6958.89 12531.58 14569.71 8879.17 6923.0 2167.7 5162.32 5535.19 3552.02 16679.64 11887.32 14376.74 15580.6 16455.2 16241.88 15774.06 16565.87 16436.7 9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione 3247.4 5874.08 44726.49 42203.73 6119.97 24118.58 36633.78 2180.32 3086.88 4907.87 8276.99 7682.5 27104.59 5586.58 4964.48 15473.88 10664.54 10305.86 16878.19 7197.27 6133.31 13869.82 8610.13 5823.81 6320.09 1591.2 2459.21 3585.51 9341.32 3499.96 3921.96 8666.6 7159.69 9663.75 8167.57 1774.54 2947.73 5231.5 5874.37 4417.04 2732.65 2039.72 13833.2 7589.56 13560.72 14898.55 9189.47 4337.23 3001.33 9311.69 1268.89 5469.56 9621.15 22539.3 523.43 6791.75 33072.47 27936.75 11132.85 25899.08 14237.65 16417.18 10254.51 25243.12 23913.71 4246.19 5537.89 6559.25 5501.75 8952.85 1796.41 2788.44 6951.37 36865.33 21600.99 15604.82 15616.95 15788.19 15997.8 16333.15 16824.06 15725.24 16195.64 16432.85 Picrasin G 185319.57 255045.17 140658.09 240020.87 242908.06 377391.44 304615.71 334641.47 444113.04 243501.57 318248.33 537358.07 653896.08 471127.82 349689.82 406580.22 243933.33 363042.55 468823.53 796267.76 203591.46 154537.31 194299.76 151170.37 151747.19 165242.23 69529.76 162615.07 223611.48 232431.58 297013.98 451025.04 139050.6 154481.35 128045.79 221431.47 140914.55 50365.21 179699.36 104484.42 385159.52 544129 228341.13 255090.71 461000.43 464558.87 334129.59 347775.12 304145.73 943284.32 241765.18 312918.32 294976.74 380341.13 227247.6 247171.72 142741.66 157675.28 244729.75 191489.22 197815.92 183766.88 212479.05 220558.8 282708.26 366615.56 559490.18 307293.55 268489.49 264260.38 226091.35 275738.61 274512.25 283043.3 318472.97 359803.99 358674.26 381288.35 359499.26 357011.31 357158.5 352456.39 345537.92 356078.54 BQ 518 13718.36 10106.76 22091.8 79025.88 23859.24 13523.31 74398.11 2841.31 4931.71 7681.87 32591.18 14854.12 55785.27 12419.95 6934.64 85460.83 60043.67 3365.29 15270.1 10072.29 8668.53 1094.99 21201.12 17331.07 1096.41 2989.19 27591.93 20219.92 5477.75 5859.22 2090.5 15288.13 587.46 29129.61 27480.25 1108.68 9324.08 2855.69 30276.52 15153.21 3006.21 5866.53 12692.02 25259.57 2041.99 77213.69 5109.81 12528.18 7692.42 19844.62 8596.56 2772.88 26267.7 69615.49 15637.94 2670.62 29652.34 10346.29 3029.03 11605.99 22677.53 37331.2 7171.62 18637 8656.34 8908.4 3813.67 27292.65 13807.33 7040.25 7051.7 15275.37 13599.9 53093.01 81705.55 21529.16 21057.5 21032.87 21520.94 21499.95 21502.4 21510.39 20977.86 20203.87 3-Decanone 1308.57 804.23 1933.6 6661.52 1757.23 2546.35 7263.3 2120.15 1365.05 1247.94 3009.58 2865.82 10822.08 2435.61 658.86 3699.95 3073.66 602.06 1203.05 281.81 2358.21 1464.21 2252.52 2256.27 604.32 1019.56 1079.11 1859.59 1310.78 1674.02 1425.22 1745.66 1188.74 2527.75 2546.14 670.76 1614.44 1199.38 2487.57 1551.79 1690.08 1116.07 2498.83 2029.87 754.19 11281.33 471.81 1521.68 1816.56 5087.31 1191.2 2169.17 3375.35 11786.08 569.36 1191.28 2010.88 2258.84 1482.93 2819.82 3127.34 4051.1 1963.18 3054.33 1136.87 1934 1684.01 2760.27 1505.97 1488.42 758.89 1350.43 1565.64 5717.08 33647.71 3714.5 4143.53 3734.58 3901.34 4611.47 3899.37 3730.09 3722.35 3828.08 Epidihydrophaseic acid 21012.06 18538.27 8585.9 12496.14 22027.32 25580.51 16109.09 28117.72 30361.72 22247.06 20946.01 22028.15 18762.27 14949.07 27026.94 19219.33 12726.5 23989.34 22513.85 27204.93 19275.8 16121.26 12015.02 10809.11 17140.82 32900.5 12454.9 11098.96 20661.47 8733.2 16758.81 20521.23 12611.34 11964.21 8875.7 16413.25 20196.36 6577.49 13638.2 7573.52 22195.02 28480.41 14531.67 13849.93 28016.11 17100.33 28152.25 13817.49 10793.9 19920.16 17810.86 21879.36 14085.53 14880.08 21183.55 19135.24 7801.61 9408.84 23285.93 18633.13 12904.1 16149.91 19497.42 16233.19 16253.63 30877.93 32986.65 17038.28 16348.75 32550.72 26386 23814.29 17498.55 17792.15 19591.19 22781.39 23565.91 22579.13 22781.96 22755.33 22679.25 22577.99 22318.46 22785.91 Vitamin E Nicotinate 8742.69 10922.15 10799.06 13673.75 5666.62 14291.06 11541.99 11914.42 14468.42 14163.27 15598.76 23350.46 14799.59 13899.94 14520.34 7495.79 13171.41 11653.31 18610.74 13985.05 15870.89 16553.89 18627.84 17914.3 13289.56 12392.57 12485.4 14598.52 20581.99 15272.24 10160.8 15744.44 15241.24 18285.01 17183.9 12863.74 12541.48 10182.52 16608.69 11795.57 12421.13 9695.38 19607.66 19348.18 15691.74 13957.07 13630.51 16455.94 14019.29 14756.79 6672.61 14634.17 18046.89 18140.3 9430.81 18961.64 11862.39 14715.67 12712.53 12345.39 8407.24 11103.14 11067.25 15393.39 8704.3 7673.17 22567.07 15173.59 15848.18 14156.39 13730.53 12054.35 24483.54 15019.44 16512.04 12904.63 12977.55 13036.82 13023.17 12901.02 12782.24 13024.41 12898.65 13050.48 Stearaldehyde 1516.21 736.87 1361.56 1271.22 1387.98 504.06 2311.19 2257.04 4183.25 774.1 733.58 2661.84 1952.59 833.64 1002.7 1268.33 1413.68 1715.22 1854.8 2817.2 1630.81 1372.09 1161.03 1115.03 1431.77 1212.92 975.66 1176.57 1676.32 1436.77 584.37 1143.77 1289.04 1126.17 1023.4 1529.04 1493.86 674.04 487.63 874.4 2141.96 3735.15 672.32 1130.36 4023.44 1561.81 2281.79 974.75 1062.96 1138.72 1092.96 1526.28 820.15 951.59 1567.89 587.09 615.01 1171 1623.48 1344.25 1187.49 1332.58 1789.68 1549.68 1785.33 2840.52 2144.29 1254.77 473.19 1673.69 2027.27 2447.39 928.93 1376 1572.14 1722.8 1846.7 1710.47 1722.55 1686.71 1660.04 1689.88 1767.26 1690.7 Glycochenodeoxycholic acid 44084.11 6761.85 9081.75 18116.16 11822.38 15627.64 1017.55 22212.49 8946.04 21780.27 19115.11 22365.4 26387.33 41268.23 27368.97 9496.28 49186.73 17432.34 11951.5 4314.84 10576.44 11440.74 11941.07 22393.06 15679.05 13127.18 25915.44 16136.51 9277.24 2969.5 6046.01 7259.68 1560.43 16209.81 12254.69 11043.13 10439.12 5635.54 15376.12 25291.45 4434.32 51491.88 7777.21 19886.03 31117 36953.42 7057.43 646.45 7118.63 18341.33 69094.19 6261.79 18296.94 53317.49 41680.05 6028.48 2380.1 18188.49 18625.22 6215.54 12522.95 2601.14 23303.46 15263.54 14243.28 47966.54 13577.75 14325.88 23167.41 10902.99 3630.17 28855.71 11916.54 18186.64 5572.37 17077.37 17354.92 17504.92 17686.87 17679.68 16998.17 17082 17752.59 14944.36 Tamoxifen 246.49 525.52 882.11 16271.76 78168.85 123541.22 70582.83 2511.55 384.12 505 350.19 1540.44 8143.55 482.45 183.83 5949.9 1583.01 69.33 62.23 42.02 178.87 47.21 588.2 449.72 176.57 76.84 322.03 604.85 102.1 325.94 306.32 1368.18 34.78 127.99 36.51 299.99 44.13 371.51 63.74 550.34 43255.23 3134.33 481 496.37 664.66 4185.12 40.86 236.05 442.47 133.73 1135.25 856.15 323.51 572.48 1619.55 573.4 1218.04 1298.78 1594.52 5004.52 1158.48 2756.26 955.88 85.78 375 1087.94 563.64 42.17 43.85 386.28 218.93 235.6 398.14 717.87 2960.17 7763.54 10759.05 9938.74 7212.29 6985.59 5653.51 9589.61 7991.42 8819.98 9387.62 7552.83 11370.37 9198.81 8497.05 3129.1 10318.05 8331.16 6588.93 10151.53 7488.13 6886.7 6649.12 9079.58 5856.25 9066.63 8069.86 8129.67 8129.33 8071.47 8121.2 8121.58 8078.14 8070.01 8069.65 3-Hydroxytetradecanoylcarnitine 1522.89 5014.43 5710.66 3028.09 1860.95 1865.63 2198.1 2975.96 1898.2 4032.74 2938.41 3334.93 3297.26 4553.4 3798.84 1571.38 4411.68 4369.72 936.17 2198.89 4212.08 7634.49 6322.25 5767.05 4690.32 6118.9 3163.21 5125.86 4078.37 8555.04 6102.55 3481.96 7258.27 4282.52 7046.67 4745.83 6314.82 5845.98 4786.13 7879.52 3050.79 1648.6 7615.54 6285.29 1814.22 3167.34 1043.62 5819.01 2786.71 1993.52 2784.47 7529.83 7480.35 4396.46 3124.64 5137.75 7179.26 9806.12 5948.58 6425.54 5540.11 6122.56 4287.41 6080.84 7304 1539.62 3367.13 4100.49 5477.11 1620.99 2587.76 2391.03 6234.55 4498.73 3504.73 3754.18 3380.66 3516.78 3542.52 2756.02 3383.62 3659.56 3405.34 3396.75 Norethisterone enanthate 9939.4 34465.72 64727.14 17812.15 5397.87 19839.5 18810.99 9967.72 10531.81 54924.72 6413.86 11400.96 22822.06 25256.84 25035.19 25411.8 56592.47 29782.81 69280.83 18432.29 10264.79 8077.49 3652.39 8869.04 9517.28 3392.91 2933.06 2107.55 63290.92 5567.49 8242.27 12330.06 4748.59 6783.47 7535.4 4179.99 15666.7 5686.58 1761.33 4608.81 17311.47 11058.07 16106.56 17466.15 7367.98 9797.33 1545.94 13528.53 5980.57 6253.91 40046.61 6708.92 6906.92 5349.53 12733.45 1101.18 5839.21 32461.26 9692.61 8446.33 12864.18 19926.58 88605.94 12776.92 16975.73 27785.65 36722.84 13041.03 15446.44 11509.8 12501.64 39978.63 10959.88 21263.68 14642.06 13975.73 19002.97 17686.27 19307.14 17661.24 17362.57 18406.08 18358.49 17669.8 D-Glucono-1,5-lactone 6-phosphate 19440.04 12909.38 11642.73 11092.46 19429.09 43644.93 17984.38 10632.32 6193.49 17125.39 32802.83 17913.87 12035.17 14329.45 9107.36 19817.48 17531.04 21257.81 25246.29 11653.24 19553.27 29567.62 16654.21 21213.36 1989.04 25505.32 23680.34 2687.98 21089 11364.72 39569.05 1717.89 15175.86 15623.73 31917.34 18454.4 22983.46 55943.45 19685.54 19893.71 18684.37 29420.24 25212.1 18339.1 18654.06 11488.27 13759.04 27267.96 24198.11 38657.03 25995.69 17545.2 25490.29 21652.19 15820.18 17944.28 9410.15 15360.92 18742.54 28408.62 16705.74 19694.73 12387.69 11183.21 12106.21 21181.74 12356.49 12609.41 17217.68 7647.39 3573.25 27160.82 31674.51 33648.88 12612.2 20274.24 20674.62 20553.36 20552.59 20622.75 20560.03 20844.64 20778.88 20768.11 3,4-Hexahydroxydiphenoylarabinose 86.63 260.36 1819.27 2582.89 4053.07 3939.91 4148.03 181.22 395.79 461.43 400.84 690.91 1342.07 90.99 267.99 712.05 583.43 330.58 205.18 140.43 376.62 1504.43 150.59 106.04 208.05 237.43 93.89 127.74 356.74 144.06 162 353.02 246.13 2686.92 140.75 281.81 230.05 1692.18 406.88 157.84 2216.64 121.7 201.31 157.86 248.95 1532.25 280.75 892.12 186.15 468.35 444.84 425.34 117.18 830.09 129.97 213.73 2141.64 1708.4 179.35 3546.93 409.46 805.29 244.9 594.17 170.94 282.4 123.94 327.8 115.34 135.39 154.75 404.65 439.22 696.82 1117.93 2129.63 2104.18 2170.44 2125.11 2094.05 2170.92 2089.58 1806.66 2086.11 4-O-beta-D-mannopyranosyl-N-acetyl-D-glucosamine 5162.36 5312.03 828.72 1259.6 9730.98 3266.47 7793.63 6545.88 5272.14 4762.15 4474.58 5974.87 9776.53 1706.03 3624.39 6354.96 3921.28 5316.47 3563.57 4911.64 2838.47 2213.28 1134.15 1208.41 6022.13 4021.42 1496.08 1875.76 6381.27 3882.52 2198.52 5168.1 3001.15 2979.34 2362.46 2457.27 3098.73 2346.42 2791 2346.2 2999.44 6782.16 5178.22 1693.21 7831.47 4653.89 9230.61 7082.23 2096.01 4854.68 5889.73 5888.54 3816.76 5171.34 3696.52 2430.32 2319.56 2691.25 6284.2 4480.07 2906.78 5046.6 5033.38 4606.83 4755.01 13749.45 12216.04 4330.36 4225.23 5410.09 3309.8 2307.07 647.01 6386.55 1598.41 3607.49 3547.54 3389.67 3838.27 3339.62 3656.12 3664.19 2382.21 3382.56 5-Hydroxyconiferaldehyde 15346.54 20936.16 9386.09 9824.32 11011.45 1753.71 6761.15 2958.53 33313.94 17501.05 20139.82 5008.31 1041.94 13293.54 19337.73 21283.39 17314 16176.86 11256.14 3034.82 8161.01 1001.44 6113.39 7894.27 11680.47 19746.97 12625.43 7441.59 2870.48 7973.82 4724.18 10357.2 1125.98 4431.65 6225.63 7716.93 23893.49 3725.02 9853.86 22101.58 4448.71 6424.55 10513.81 12348.92 13025.57 12971.41 4147.89 828.54 5761.1 18862.13 10435.48 19842.34 8903.73 17958.12 22948.03 22159.94 13392.45 12232.89 10582.38 2312.09 12100.34 6170.82 29088.35 34539.31 19564 24744.01 20118.33 20916.25 23067.97 23567.35 21139.99 30510.62 20071.89 27311.47 28162.67 15233.38 15452.97 15569.16 15560.57 13374.11 15565.97 15326.59 15462.68 15351.28 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol 115027.71 231530.56 189258.46 171172.23 61710.21 41320.57 86665.5 91487.78 44968.66 200319.09 182782.71 150471.6 144413.65 219229.98 155495.91 137041.47 165312.55 97377.26 168948.41 100282.95 25282.21 15693.43 281146.28 272920.89 233703.12 169378.44 379182.42 297536.83 196835.45 1718.3 58293.41 143566.3 181271.22 160665.9 175972.78 244652.08 222551.58 140460.89 279334.57 360059.22 34629.2 108105.85 273064.86 254275.38 87422.68 149119.55 86335.51 323658.86 212680.14 124198.81 124693.56 226366.04 214452.4 205514.66 148530.71 236221.11 245979.08 332878.47 119119.39 199408.72 261508.73 281699.94 170682.71 151540.72 241788.48 134099.13 82026.28 256103.31 237704.35 118023.08 110919.6 282434.06 188026.44 234127.17 217521.2 151465.1 151833.66 150013.94 151510.09 150018.29 150011.8 150171.5 153220.31 150044.56 Jasmolin II 987.69 1695.96 1518.41 6144.28 9639.16 14540.32 8567.84 5925.98 7297.01 2600.88 3428.28 10322.97 11508 14163.62 11967.11 6734.31 10834.34 7210.06 20271.71 17154.61 1353.21 825.53 2393.37 2665.11 317.71 1174.45 1437.01 684.28 1799.11 1263.71 2227.25 4978.44 626.37 445.43 578.28 669.05 1011.84 569.96 2547.46 1477.17 4719.52 2946.01 2533.46 1475.23 13254.78 3953.67 1894.14 3902.58 954.67 10163.68 860.4 1237.23 2984.71 2075.86 3563.41 2858.77 913.68 2093.72 2286.67 2319.59 1574.06 593.98 1966.4 2963.91 3811.48 7142.65 2610.53 3645.61 5058.54 2446.24 1627.28 4191.22 4155.84 6381.85 4976.36 3759.61 4458.66 4714.38 4439.37 4512.52 4776.63 4573.61 4691.27 4736.35 Ribulose 5-phosphate 2001.9 618.09 2901.19 1526.56 947.94 1284.52 1857.03 1264.69 1381.93 1774.48 1854.77 1773.14 1449.77 820.91 1488.24 1276.12 1973.85 1432.79 1817.27 1504.91 1423.68 765.37 975.99 1010.15 1995.41 1866.56 3634.78 1014.79 3103.59 610.46 2102.15 1936.16 1938.51 2963.09 2584.67 1182.79 2215.98 2482.96 1277.33 1750.34 1132.21 2058.06 3444.45 662.38 1380.31 2343.7 1336.29 846.13 1227.24 1034.2 4202 1667.94 1933.24 676.64 3660.78 1645.31 5834.67 4554.33 845.83 2133.6 2080.77 1949.09 2779.37 2970.13 1740.5 1675.44 1525.43 1283.31 1557.4 1436.3 1645.82 2373.5 786.11 1671.22 2567.2 1408.67 1348.38 1314.84 1412.09 1706.42 1401.79 1402.14 1203.27 1405.8 Dihydrodeoxy-8-epiaustdiol 9841.53 8989.71 2468.36 2706.67 17111.31 20492 7902.76 12084.74 8895.91 3466.74 9336.17 18227.08 16838.43 5017.9 18247.93 15553.47 5386.06 21027.54 19614.24 31149.71 10934.68 4438.56 2564.9 4297.04 2474.05 4792.61 2320.61 2767.45 14953.64 3938.16 10340.61 10336.77 3147.85 3844.28 6723.07 10120.72 2993.22 1219.28 9085.42 1760.44 17449.94 17384.73 6826.89 5217.23 23804.16 15351.64 14648.41 6098.67 5241.71 19586.53 8270.99 14426.03 5030.68 5427.91 7603.35 12207.83 2211.23 3741.6 7641.12 5621.6 3931.65 3174.81 9248.06 5734.27 9095.09 15856.95 12940.84 6043.84 6532.88 7969.46 6941.47 35101.47 4331.41 7053.76 6399.8 11868.73 11900.02 12339.02 12449.42 11554 12472.56 11799.84 11524.64 12441.01 Ansamitocin P-3 13081.33 5706.83 670.59 3806.54 9037.16 10586.96 17654.56 5064.73 8498.13 5110.91 37390.41 23627.15 20458.75 10638.81 11000.22 50290.76 9884.48 5425.1 38316.61 3984.06 9629.05 1988.7 18273.04 8817.14 8012.49 7900.89 21729.94 14707.24 8627.46 22771.83 4636.86 27286 2312.24 15071.91 3860.12 5558.52 5662.14 858.06 10704.23 11800.99 2623.14 5880.5 21770.77 10019.99 6092.58 24421.44 6297.38 30304.17 9398.36 49017.18 1098.21 2464.08 15373.95 24469.37 3103.98 6853.25 6968.25 5258.34 7950.87 1563.4 8971.43 8911.52 4290.29 22145.61 15679.89 1321.71 1263.87 15799.07 27114.77 9116.21 10455.35 19150.17 9374.76 18583.4 10571.37 17211.67 17845.09 17145.54 17842.72 17821.74 17922.37 14464.74 17886.6 17783 Cibaric acid 14430.83 16298.27 14252.01 54304.57 24016.8 11190.01 79622.39 27147.87 6782 22286.5 19343.61 20156.04 27613.73 50567.18 5624.75 12728.51 20025 14231.06 7206.17 1918.23 16025.54 32756.97 19100.62 19503.61 14156.3 9274.39 5987.65 10738.04 22721.94 6151.73 8319.84 11532.36 10589.36 14469.65 13089.72 11895.73 19648.25 10358.55 30540.05 11068.82 24153.67 33432.24 22764.58 17167.18 8024.19 34558.77 36341.45 10376.63 11075.5 3816.35 28331.4 25664.4 19173.99 15371.31 37784.76 19402.97 14563.22 14739.47 15887.2 22134.75 19929.74 35211.35 19724.14 17189.36 17659.18 49036.79 3490.75 18402.68 10820.64 12030.78 3025.65 21392.12 17543.31 21567.7 30420.09 25050.53 25603.43 22646.53 23643.6 27867.53 24770.69 24719.17 26277.06 26315.73 4-Hydroxyphenylacetaldoxime 1336.61 1122.59 787.59 1338.7 1025.15 5499.62 1652.74 1969.53 1876.9 2041.4 1533.63 884.04 607.79 915.94 1597.23 1472.9 917.92 1114.38 1225.64 402.72 808.79 5848.92 900.55 864.23 902.69 852.76 574.88 545.26 588.99 940.84 575.04 821.25 811.24 1669.97 610.18 732.15 1037.17 2336.86 583.56 600.98 1031.3 1448.54 1341.3 957.39 1397.42 415.58 528.65 1024.38 508.04 1956.04 1238.99 1373.23 1196.25 977.41 1258.78 1025.07 1873.82 2172.92 1862.16 4998.78 934.59 1289.09 1042.6 1503.34 1363.06 1849.71 1513.39 925.61 1089.26 1109.81 717.93 1358.68 1144.76 1324.72 631.66 1570.02 2150.44 1999.3 2000.31 2006.45 1888.01 1909.87 2055.21 1915.9 Buspirone 81.28 42.43 193.09 737.19 17918.19 20314.1 23141.52 264.49 59.92 114.11 80 289.52 1024.08 152.25 88.52 725.89 195.9 46.75 38.92 44.25 88.38 310.8 54.6 45.74 169.49 147.4 43.32 194.51 105.63 68.71 62.96 67.75 121.32 69.02 70.41 48.06 223.55 105.13 40.12 91.26 4978 196.3 59.23 227.48 299.65 68.43 202.71 71.25 40.04 306.8 142.9 60.04 51.62 107.16 288.12 227.25 35.06 42.26 138.65 2526.56 56.45 231.27 69.02 100.81 47.65 148.32 84.37 87.91 51.55 177.29 293.92 319.84 56.59 119.86 361.79 3723.21 3521.95 8286.72 9753.54 7812.33 3573.01 6191.77 4495.12 3019.87 1740.6 2065.46 3091.71 4900.38 4414.36 1830.03 7950.2 3572.31 2565.54 10211.03 5363.98 10239.67 7850.0 11723.32 16586.26 2716.54 1846.16 1848.74 1846.47 1846.33 1846.3 1863.07 1866.71 1817.52 1852.94 Cybutryne 12388.84 12428.68 15127.5 24962.02 7997.68 5994.55 3561.34 11208.93 7632.01 18858.15 20991.35 16603.49 18120.43 23482.31 11173.31 13661.63 18767.91 9135.82 18484.75 7835.59 7625.7 11616.84 20760.16 19033.29 11431.1 11678.85 14647.87 18584.05 13421.7 4993.1 5373.15 16630.26 8043.97 18317.17 17834.74 12564.05 13127.03 5864.85 20619.6 16236.96 8345.66 11982.8 20193.88 23031.28 10137.21 17084.19 9209.58 17293.81 14785.04 14291.76 12386.59 15517.11 22090.96 20755.46 12088.75 14664.35 16745.45 18172.88 20611.55 12197.98 20708.71 23570.6 12762.98 16660.22 13382.9 14241.17 1807.83 21403 20495.01 9208.85 10244.06 22900.3 18308.65 19133.26 21458.58 12848.93 12875.14 12732.98 12794.84 12869.2 12948.28 12825.48 12735.48 12653.48 Maculine 1660.17 3231.59 4027.39 2861.81 1011.41 1426.56 1950.5 1597.31 1745.84 3966.53 2411.63 1804.61 737.07 2409.44 1526.63 407.93 1343.49 2129.22 415.25 2196.41 753.97 2417.5 6105.6 3705.94 1658.57 1747.87 5687.77 2494.33 1597.69 2322.79 3254.67 509.99 856.32 6751.42 7450.09 2346.84 1619.45 2987.51 3182.97 3279.69 1833.19 920.4 2828.79 2908.02 1876.87 1459.5 1921.71 615.6 4468.54 2226.25 1326.55 5303.05 4404.28 3619.78 2304.38 4309.65 4393.33 5054.11 551.43 2813.56 4197.81 3484 2586.25 3388.57 481.97 1974.3 1719.96 2883.54 2748.08 411.94 1299.23 4337.81 2075.73 4260.2 995.28 2391.95 2829.49 3121.63 2947 2927.4 3016.9 2859.9 2993.13 3001.26 cis-3-Hexenyl benzoate 13598.52 15641.57 14521.55 14017.69 19563 15468.75 13523.59 13604.81 9304.65 17242.74 14390.99 17548.14 19161.64 29230.56 18519.57 14325.69 12633.47 7825.14 3515.82 12867.16 15377.61 18356.83 19967.31 24278.91 18926.64 16289.38 40274.96 22155.4 32201.27 11108.46 16930.96 15918.69 19015.07 18144.5 24785.13 18605.96 46533.27 23814.49 17169.15 34528.1 11688.18 15416.83 19460.54 24203.81 7027.64 29777.22 6662.28 15500.34 17693.27 12796.73 17812.39 4968.98 17098.24 17167.29 13924.74 15745.26 17086.76 55010.53 11050.1 29174.28 34016.02 24097.03 10264.34 25127.11 12959.32 16246.43 13741.27 27681.37 15612.12 10594.92 9605.89 13429.23 10062.75 7081.8 13437.78 8790.84 9397.43 9262.2 9375.21 8833.92 9007.83 8586.06 9636.56 5820.69 Normetanephrine 2075.79 2221.75 1420.61 802.37 4027.38 5207.55 2806.3 3365.1 7282.44 1655.5 1323.23 1747.4 1462.15 1046.84 1964.35 1458.05 1154.81 3614.29 2748.11 4190.77 1741.08 1663.33 952.16 1099.35 3183.02 2458.66 1608.88 1476.09 3330.62 1502.16 2049.44 2397.75 2069.64 1540.21 1198.07 3361.07 4341.87 1354.8 1300.39 748.72 7630.07 3720.4 903.26 1049.62 2894.7 1514.89 2220.42 2555.09 2418.43 3147.31 2430.52 2491.07 1737.37 993.38 1549.06 1469.27 589.87 527.02 2921.41 1895.91 1058.55 1429.62 1936.53 1204.36 1666.7 3690.8 1648.15 1224.69 945.22 3549.13 2891.39 2151.7 904.01 2039.65 1672.96 2438.48 2514.31 2883.96 2176.32 2336.01 2206.38 2426.5 2179.6 2231.28 Isococculidine 4187.27 17127.16 4059.48 2405.49 24122.7 6438.54 5124.68 7263.07 7300.72 4493.72 4400.18 22117.39 4245.03 2528.54 4366.96 4175.32 3032.5 7870.63 4206.15 7385.59 20729.49 5518.16 2531.83 943.23 4767.43 12809.58 1815.58 10254.48 9914.58 1843.52 12935.19 3390.65 3092.91 2628.82 1814.84 4579.61 3839.17 1534.44 4084.7 1334.1 6744.05 5954.3 3293.52 3778.63 7848.28 3689.29 15753.64 5226.45 4339.09 3633.32 3712.27 4861.22 3062.71 3434.63 4080.22 9252.63 2380.02 1918.19 10057.01 3966.21 2869.34 3557.77 3486.32 3637.03 4714.83 5405.24 7688.31 3285.92 3088.69 6056.32 5167.62 4525.32 3779.7 3205.31 5074.85 11684.02 10452.66 13338.72 11200.72 13404.43 13294.82 14024.68 9641.21 14732.31 Nagilactone C 23594.56 13740.46 9973.77 12353.8 23378.26 1783.27 33866.39 31052.44 30185.93 30853.01 44889.68 71079.04 34109.93 58024.67 24462.05 48287.88 26804.45 42027.08 65024.7 37245.93 18680.46 589.29 19040.73 43938.58 24236.21 15525.36 34903.19 39324.42 38882.4 41996.17 25364.27 56427.85 14141.27 29626.38 29624.5 36387.14 17264.05 956.88 35745.14 19287.42 26022.61 30653.39 27836.16 39843.48 28592.86 49118.24 41770.77 94860.95 56179.03 79784.29 22294.89 21283.39 49825.62 43672.6 15959.7 14504.01 10448.75 13985.14 22309.34 13311.94 30772.52 16240.12 23167.93 19678.08 28320.12 24133.44 25881.72 44061.09 55436.27 22352.23 15061.23 22834.88 34359.23 16250.98 34987.84 32823.82 32733.62 33160.02 32725.53 33161.2 34663.97 32709.59 32709.44 33117.28 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid 143485.67 73688.4 61772.25 62327.7 30103.15 3998.39 97241.85 154577.09 186036.48 89773.21 115780.38 65758.32 181297.79 91113 106481.42 154794.64 101599.75 128774.44 289246.32 206845.58 80693.68 18562.71 57430.63 87476.68 109208.82 68993.56 85454.8 97136.06 98970.07 44101.24 65596.59 108646.17 27055.78 138985.67 41512.84 151876.59 118303.33 5011.32 90386.03 25793.61 4910.83 163878.78 85618.63 39624.22 256163.15 19978.5 162321.49 119112.71 201346.17 262926.24 192315.94 76867.3 269675.6 80457.84 122191.99 72561.13 97903.91 33544.84 133597.58 8494.67 370982.16 141441.46 239377.72 339797.06 79987.44 107752.21 320273.38 126763.6 87358.49 304431.64 162542.41 121575.41 159634.29 64379.28 195236.42 146336.97 168916.9 203311.41 194010.54 176371.49 190012.23 237078.2 178900.8 195787.3 Faicar 2250.04 4883.55 3323.6 7063.18 1715.37 2364.91 1590.81 1421.97 2903.53 1408.23 3305.96 1717.36 1625.48 2291.5 5618.36 3664.02 4951.04 3772.3 2330.39 765.7 1913.64 910.18 937.44 1817.31 1498.83 1643.74 389.88 964.88 1836.7 714.31 2276.99 1578.63 1575.8 1354.19 1375.19 1097.05 4188.63 514.35 1730.96 2290.11 989.48 830.23 2964.98 2280.42 2704.33 2269.12 3814.84 738.14 959.07 739.64 978.37 2095.03 755.46 1810.57 2304.64 3045.01 3322.56 3039.6 3386.1 6235.73 3078.76 2091.81 4718.76 5603.93 6403.35 2314.69 3733.85 1793.78 2576.12 4426.18 5752.35 2071.2 6954.93 4768.5 3242.7 3009 2891.75 2898.72 3222.85 2892.56 2939.34 2867.45 2867.55 2993.49 Chlorcyclizine 2008.57 17664.68 11346.87 15729.44 5066.54 10708.06 2532.92 780.11 3869.63 1392.58 5392.41 835.69 3287.18 2341.03 14815.02 9563.16 13602.16 9806.81 11897.08 2338.2 2731.09 14802.99 13116.93 10966.51 5348.69 732.4 4605.85 2140.05 5326.07 4154.28 575.43 6249.3 11625.44 12267.41 14889.76 5630.93 5461.89 6750.34 1876.2 8592.59 6838.26 4685.47 19598.72 15524.48 7399.25 4556.02 12034.72 13327.28 4153.99 7399.47 7570.07 16745.51 17339.92 15615.78 1992.27 22261.27 8476.34 14602.17 9725.88 10074.21 13457.8 16388.35 24818.25 24019.34 16952.32 2176.99 20985.5 4034.33 4996.11 5927.11 9163.64 1367.12 8667.18 20100.28 15561.09 8574.98 8217.15 4645.98 8157.5 9594.23 8563.06 8101.24 8010.83 8537.85 Pifithrin-Beta 20350.87 8974.96 3453.76 5426 16651.22 9614.72 8096.33 29127.78 26183.22 20288.02 7127.88 17560.63 3720.99 10417.15 17179.48 11922.66 9017.79 18833.34 19092.12 16408.77 14161.55 1820.25 4896.94 4295.81 17848.04 10587.8 6004.59 9608.34 24298.26 8482.52 16004.12 14276.66 10665.35 4099.91 3496.69 18100.27 13551.36 2006.33 5977.72 4523.8 22053.08 26003.59 5930.22 6884.98 30486.98 3071.83 32006.81 13259.09 15921.71 21611.22 16991.27 8853.76 6031.59 7200.08 18650.93 9642.79 2729.66 3837.67 19133.01 2778.5 4914.84 5432.68 8810.86 7738.19 9733.69 20984.98 11614.64 17376.96 15213.55 21719.14 23676.61 15679.65 11153.7 7755.37 10142.72 16494.78 16763.4 16580.42 16763.86 16777.73 16846.21 16453.69 16500.92 16766.13 2-(Hydroxymethyl)-6-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl)methoxy]oxane-3,4,5-triol 1222.71 499.89 2302.58 419.26 2846.06 3296.39 6555.39 555.95 1184.64 1882.8 1586.39 461.08 1647.78 533.07 1717.77 2460.24 1716.17 836.26 1200.9 5096.64 696.93 1219.79 3152.31 1040.39 476.64 483.93 1864.33 234.31 1115.65 639.33 1248.3 1726.88 1920.42 2327.08 3037.68 629.12 803.38 423.46 2974.63 1317.51 656.17 2584.21 369.74 407.19 1149.84 1157.51 801.09 1248.16 942.85 2358.03 323.71 2977.08 875.14 2276.82 1676.26 460.28 853.37 2152.26 453.68 1786.38 3501.75 3501.76 1170.58 1660.16 516.54 1515.82 2078.41 353.43 1218.26 1848.82 727.97 6170.78 410.65 6389.09 1054.68 3348.59 2131.59 3346.17 3489.31 3151.73 2914.81 2876.14 3580.71 3039.95 Tentoxin 9381.33 13944.94 5024.67 1695.11 12685 12812.06 17472.79 24530.3 14065.46 12830.99 16701.35 15994.98 2526.12 19419.43 11796.76 2980.5 6819.98 19428.74 21569.73 12356.35 8188.45 10304.38 5252.44 8156.53 8017.03 9214.98 4032.6 6407.13 11696 5753.96 2883.57 10058.68 8825.42 8223.03 5575.77 6112.42 33678.91 4314.14 9054.17 7873.77 11793.72 8703.84 10320.94 15364.26 4731.09 14425.63 27471.1 9866.37 7727.05 29481.57 15139.35 17348.85 12015.58 14259.37 10680.55 27877.6 10413.16 4899.45 6342.26 14571.36 8679.96 5469.02 10246.11 11414.01 17878.41 14743.48 21564.12 9496.68 10435.4 28619.8 19010.63 3452.28 22761.74 25482.55 9498.13 7188.18 8296.93 10992.47 7450.19 12344.06 10690.19 11415.95 7004.54 11347.54 Picrasin E 43239.47 22574.21 31242.54 31305.77 100870.2 22864.95 21000.48 37308.64 50733.02 15594.77 29158.64 98297.3 74355.15 38275.92 84945.7 33912.71 25372.06 38799.92 67590.85 83254.93 38629.24 10148.51 17212.85 16489.01 36882.62 16340.97 9305.33 17220.68 29867.42 43897.3 34876.17 32195.47 6940.04 9393.5 11467.21 24813.06 25744.8 2367.26 6343.66 13156.76 124940.72 52244.49 23347.3 30763.15 42332.52 34513.87 43942.68 20330.47 11068.69 61004.46 36753.06 18750.1 7840.14 42426.75 73745.95 31763.19 18871.66 19372.03 30835 22775.35 18740.22 11038.79 20480.88 18290.01 23207.14 48284.61 48970.16 28709.46 58684.64 50038.09 25132 37826.85 16345.86 21606.75 32497.94 35266.1 35635.55 35862.2 33153.93 35761.52 35857.72 36220.11 35747.29 35237.55 Dodecanoic acid 8123.99 3932.69 1813.23 11210.86 2147.36 2386.49 837.38 2815.07 3050.18 4712.82 6919.28 4458.6 2602.39 3900.93 2886.19 1407.4 3726.04 2258.02 1767.42 1338.41 2347.73 4762.66 3843.78 6219.49 4585.82 4807.54 3641.39 7421.68 6450.63 7671.84 3419.3 2357.55 3125.52 3349.44 7209.97 3975.45 5176.74 7877.76 7477.29 5518.96 3489.69 4173.89 4268.58 5103.21 2516.6 3593.87 1734.1 3468.19 2139.18 1570.6 2613.93 4127.77 5539.82 6532.05 2753.12 3015.84 1895.01 4881.8 2776.93 1941.87 3230.72 2405.55 2037.93 1969.1 2081.21 2569.94 3371.74 3097.9 2737.48 1770.21 2335.11 3465.54 2801.41 2116.51 2337.41 5110.13 7322.98 6125.8 4258.74 6311.74 3838.72 6851.51 9989.3 7511.68 3920.99 8924.6 5695.2 4299.61 10445.36 2141.47 4698.04 4060.99 5940.24 4758.95 3805.72 4844.87 13308.89 6550.24 3399.69 4260.29 1858.55 1855.8 1865.79 1633.62 1766.95 1445.79 1857.65 1795.24 1768.75 Phenylpropionylglycine 1467.64 1116.29 429.73 3679.42 20471.75 6146.87 12059.2 887.98 1614.55 1590.5 1402.88 1757.25 7110.35 1106.21 2673.22 1712.13 1802.03 1338.99 1680.41 1050.61 1234.26 1404.4 657.2 382.24 992.44 462.97 1006.13 855.94 3227.19 958.37 218.82 1191.57 458.21 747.41 509.02 751.16 898.65 387.09 1371.77 863.96 2503.88 1891.09 670.71 1128.47 1084.74 14189.02 483.34 1344.38 4443.15 5668.01 1876.76 492.68 818.33 3805.46 1961.34 723.96 461.82 701.8 1456 2050.18 607.37 1675.04 571.35 533.41 632.49 3395.32 1088.87 16771.9 1670.58 328.97 923.35 4089.19 960.78 1412.56 5590.33 3092.32 3163.36 2857.88 3187.84 3027.08 3143.3 3089.22 3166.98 3196.82 Casimiroin 2356.13 11029.45 8305.97 10462.06 13979.07 17415.53 9740.8 2951.27 3567.71 9907.67 8021.13 6361.04 19266.25 7795.47 14685.61 9755.41 20434.43 7618.29 8107.31 966.06 1833.6 7998.12 6049.08 4547.34 4503.72 4020.7 5618.57 2219.04 8215.95 944.28 564.34 4179.83 8211.01 7876.05 5868.28 4574.41 5949.07 3239.01 7487.01 4376.8 4223.81 4027.9 9330.07 11727.84 17546.54 8319.52 3374.42 10188.7 3910.53 3027.97 2664.33 14965.62 8558.25 10660.73 7933.42 21499.43 10097.43 15370.17 2786.37 14643.38 8749.94 8918.05 10301.63 14282.13 7904.45 14988.06 7908.2 8002.7 8242.96 4568.19 5236.82 9288.69 4453.83 11429.09 9805.47 7573.9 9652.07 9758.01 9660.05 10212.28 9646.49 9963.26 9552.14 10237.69 Haplophytine 2928.83 2125.81 1241.92 11116.8 2074.44 60790.55 5810.95 34672.9 12304.86 8185.71 1834 12653.73 4199.55 22643.57 58294.36 5409.36 43991.41 63253.58 86044.96 11455.53 2109.36 36814.89 1331.36 4508.26 4373.1 3766.52 1471.22 704.59 9424.19 6539.74 8236.44 10920.37 17439.48 3242.29 893.29 9196.96 4094.03 647.07 801.03 2342.26 4141.3 10094.55 7901.63 2754.68 4141.72 14614.69 15606.17 4331.22 3667.85 5888.19 5499.18 3937.62 1199.69 4984.52 3117.39 34426.09 3995.94 7405.78 12371 3538.4 1398.16 1650.3 20150.73 5715.98 1432.87 5055.99 3865.14 7697.83 8176.73 8174.06 3080.01 1627.71 1456.63 1693.91 2349.2 5690.39 7077.78 7975.94 8604.93 8586.62 7640.88 7546.72 8732.08 8195.73 Normonal 2670.14 5938.54 3867.13 4700.38 5479.45 12852.69 2466.39 3426.02 12211.65 6227.51 3400.91 4583.31 4020.49 1251.72 5378.25 2866.92 2907.42 8340.71 6324.52 4911.15 5116.72 5110.81 3939.99 2956.03 5322.83 4123.14 2228.26 2603 5879.86 3233.16 5861.23 4754.1 3709.26 3120.5 521.15 5330.28 2342.57 2170.61 3691.49 3442.05 5985.88 10113.77 2817.79 3978.65 11188.93 5298.84 7290.19 2324.46 2862.07 5641.48 4836.94 4656 4520.86 5380.11 5721.36 6117.31 1224.27 1584.44 5488.46 5125.48 611.56 3646.95 5145.24 4115.68 835.51 5794.4 4597.43 3121.16 4195.27 5642.15 9396.38 7097.83 3591.9 1252.17 3232.25 4077.05 4277.72 4294.75 4374.18 4472.53 4531.85 4466.98 4590.34 4652.11 Neoacrimarine F 21180.85 5408.01 1219.59 1385.05 4500.16 8005.55 1083.49 6870.06 10901.4 4712.75 4234.51 3972.5 3751.05 2789.91 6083.44 1523.43 1549.95 8505.1 13695.42 4932.82 6837.15 1714.62 1589.41 2150.34 3489.05 669.53 1905.39 4024.09 4431.49 7571.15 2122.79 2031.1 1698.02 1337.29 1551.88 2489.11 1023.5 1068.37 2197.49 545.45 2352.57 6265.32 2312.54 2074.82 5836.35 2339.49 32162.21 2736.96 8242.09 13853.66 5965.36 576.4 1898.75 2575.05 1836.79 736.7 741.98 1199.94 1939.82 635.58 3434.67 553.82 3370.95 6037.06 11127.64 947.25 3657.45 6862.49 17582.22 1313.06 23345.27 5078.5 6731.62 1254.4 924.12 3072.64 2377.38 2144.83 2587.14 2562.01 2607.17 2667.29 2655.43 2650.33 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone 12316.91 15446.32 9270.35 19182.42 19663.06 20550.72 19283.51 18174.18 13073.46 10775.13 15662.62 14523.2 7759.5 12678.23 25845.83 25377.32 24515.51 25023.26 60568.47 24671.12 41613.91 8310.08 8049.12 9699.06 8160.51 10627.04 5385.57 7973.52 10686.4 13776.19 10164.11 9564.51 14692.71 7159.26 11460.05 8403 14911.45 9299.04 6802.32 17936.52 22192.96 8598.68 12361.08 17311.61 16027.93 13854.46 13047.27 16119 37670.79 16342.21 10797.05 15086.1 12142.48 11369.99 17380.78 12118.97 13553.21 23560.32 66619.16 22245.29 18488.85 15614.71 18905.92 22394.9 25668.41 10976.05 16666.17 14738.9 15878.85 19283.03 24491 18113.08 20259.5 22634.96 20260.56 18076.91 19144.04 18466.16 18455.83 17994.7 18197.17 18131.62 15930.78 18245.49 (4R,5S,15R)-15-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one 7518.45 14993.31 9104.44 14943 9363.84 3465.3 2752.97 12387.77 8016.31 18593.73 16212.33 11988.05 10660.65 19868.19 15518.09 2104.38 4600.21 13732.71 5575.45 3310.95 13582.62 27200.42 21947.41 24744.48 23913.98 20418.02 15789.01 24560.57 15959.85 25614.92 17975.34 16628.44 12530.96 20344.5 23415.76 23537.68 22416.98 20619.51 31543.6 25656.56 11474.24 15558.07 22407.41 20870.22 21650.04 15630.2 7338.5 15981.01 34537.05 10685.03 18547.52 22509.57 24570.69 15037.03 14547.88 16163.57 15451.78 26411.59 17861.38 19992.34 20115.66 23215.88 13672.23 11374.44 15779.93 8586.31 14160.98 19269 22504.5 6969.81 12543.28 22449.24 15219.41 12050.77 17337.46 14474.45 14230.2 14287.18 14477.29 14461.71 14515.24 14433.81 14064.6 14300.8 Paspalinine 2559.04 7273.08 1580.81 9383.43 1420.14 9267.46 957.25 3679.61 4490.01 2617.03 1182.73 13380.26 9839.57 8870.55 14602.6 5225.97 6288.75 29162.51 13823.77 16762.88 1527.17 500.71 911.07 1074.54 1123.04 732.34 287.04 1706.01 2178.14 2030.99 1693.12 12674.34 1548.48 795.78 1082.09 3845.35 504.97 1466.07 442.45 361.75 9182.97 7601.99 2048.4 982.32 17157.58 9687.21 11191.94 3513.46 4992.13 23607.47 3851.14 19184.6 8099.02 6381.99 8439.16 10492.54 442.99 937.76 1479.91 530.32 1290.71 549.92 9040.09 3962.67 6863.53 6933.96 10008.28 769.54 1419.43 1932 1352.06 453.58 1680.6 9529.4 6336.9 9470.57 9556.24 9499.82 9336.48 8761.23 9680.67 9557.15 9345.43 9429.28 Unii-56S6M39J5V 9157.04 14324.05 8431.45 10537.83 11820.19 8741.89 8409.09 16963.93 9414.97 8182.31 10365.33 6955.63 10416.28 8923.05 7169.54 14030.78 11018.27 7430.27 10735.42 15828.74 11103.62 12524.61 7414.56 11952.15 10155.03 15314.1 9227.23 15651.63 8745.15 7401.86 10005.4 12753.48 12618.63 13209.21 12257.09 9613.2 6965.45 7589.87 10392.56 11243.43 16681.23 10070.7 14498.69 11458.16 18730.3 18861.64 19985.41 5391.45 6972.03 7327.29 7088.2 12567.73 4877.71 9920.24 10527.74 6872.43 10423.7 13225.35 5002.06 13788.76 19080.53 8755.82 5920.64 5515.29 15267.58 16050.8 9585.4 8562.11 17964.24 12733.33 11962.12 6574.3 6607.86 12429.1 7246.06 8105.58 8382.65 9690.91 8097.73 8201.73 8124.77 8680.99 8629.76 8654.18 1a,3,5,6,7,7a-Hexahydro-5-methyl-1a-(3-methyl-2-butenyl)-2H-oxireno[g][2]benzopyran-2,6,7-triol, 9CI 7001.72 11363.43 5810.46 8246.4 14591.59 20776.96 14714.46 14509.83 16539.73 12833.76 10407.19 13127.81 14773.95 6698.08 15159.37 12053.94 7533.8 13025.29 10869.98 9592.21 7989.81 9623.01 8229.25 6231.78 9346.59 5849.6 5466.79 5887.26 10622.09 5177.36 6879.27 10361.44 8332.17 6428.2 4700.91 8128.67 10806.95 2986.24 9011.61 2357.09 8560.4 14748.04 8410.3 9028.02 14446.55 8850.1 15898.35 3481.47 6123.03 7168.63 10083.81 11670.58 9672.95 9010.57 12740.28 12004.8 4874.5 5055.33 15898.2 11716.1 6475.81 9430.5 11113.31 11301.73 8787.14 17370.78 18451.93 9768.89 8648.98 14938.31 12778.44 12545.4 11369.02 9407.8 10994.79 12850.63 13028.16 12955.66 13023.38 12873.17 13458.47 12113.67 12815.41 13035.56 Oxolinic acid 23555.4 21146.55 8624.4 16246.01 32884.25 40980.32 23033.62 35748.01 36272.12 24824.16 19353.42 44044.31 49371.38 30207.64 34893.57 23931.36 17417.61 53641.05 39614.45 63597.34 19828.99 16708.87 9603.16 8761.66 16632.08 14692 6190.27 10299.42 33516.97 14387.2 27005.49 32169.71 13913.68 10893 7554.84 25959.54 17777.9 4903.18 14178.93 5229.3 62520.3 37874.59 14942.67 20114.82 65385.15 31470.23 53670.39 28845.24 17042.81 46517.65 23806 29198.63 17907.98 20475.27 24842.98 24857.87 8003.1 10366.86 27560.49 19431.73 13509.01 14927.05 23749.91 16656.03 18703.79 39598.93 45947.21 22218.87 23380.15 28586.41 25940.57 20117.15 15874.47 20504.41 19193.72 33269.15 33506.5 33265.28 33509.94 33557.68 33514.7 33460.19 33265.53 33426.05 3-Phosphoglyceric acid 6138.39 9071.14 2291.56 1906.48 3528.96 2744.88 3123.12 2090.39 3514.47 832.78 6287.01 2012.96 1575.51 1716.94 3588.61 4799.63 2950.33 3900.38 674.29 3464.03 6377.75 1207.21 1716.56 3683.07 5995.49 3505.96 1355.86 4726.19 5614.37 689.02 7183.91 3373.6 4594.63 2407.11 3140.31 3350.65 6758.95 1661.22 2099.07 4793.06 3761.64 805.76 780.56 2038.54 1394.04 1806.62 1744.5 3853.21 7923.14 3980.75 6420.83 6247 1635.59 1325.73 1878.99 2858.37 1159.3 1235.23 3135.74 3347.67 1723.64 2524.83 6417.3 1199.59 5803.98 2163.47 9950.95 1984.23 651.43 3680.52 2548.74 2592.75 3583.99 1801.02 1637.31 2971.73 3310.4 2576.12 3210.98 3519.36 1156.27 1428.29 2589.38 3412.67 1712.33 1882.66 1778.35 1594.66 1641.46 2030.11 3499.79 1343.35 4313.76 2980.69 3604.97 7036.78 4710.45 3547.87 2076.87 1957.16 1857.6 1963.75 2010.61 2015.58 2019.91 1990.64 1974.76 3-Hydroxydodecanedioic acid 8304.43 10989.25 16774.78 24068.2 14454.07 37483.2 21446.32 10543.98 9437.78 10086.37 12910.48 16711.58 24519.11 12879.25 9974.42 14765.58 10701.38 11186.83 15160.92 12332.32 9440.47 20713.73 32343 8946.2 5158.01 4489.27 3691.54 7591.31 8864.69 6632.01 14086.48 26680.43 5314.34 29226.84 14772.15 4965.43 6557.73 6788.39 12383.44 4432.83 12678.04 11987.24 25822.46 11116.55 14422.31 22741.34 5570.55 5054.59 11111 14434.15 28035.71 9289.45 19239.52 9932.5 10662.03 13175.33 16326.09 13974.81 12551.32 18704.21 25758.99 29122.74 9556.36 13278.36 17444.07 14191.54 25425.39 11794.29 10009.48 15744.31 29780.99 12572.66 14646.57 38407.99 12005.01 25728.37 28507.03 28502.6 28503.06 24836.77 24884.68 26240.67 24532.17 29640.58 Cinnzeylanol 3461.14 7107.54 3684.5 3860.1 12493.73 30476.6 6671.94 7260.66 3804.48 2655.69 8105.29 4959.41 19457.55 4767.24 1172.17 13100.81 14153.37 931.41 8731.36 6901.25 5460.66 5698.54 3074.14 6556.97 2360.19 2844.18 3160.08 5313.66 1220.46 4594.18 2461.86 4541.75 1536.56 3908.31 3339.9 1258.85 12003.9 970.18 5281.1 2726.88 11890.75 16202.34 5912.9 3632.94 7530.06 7760.68 5289.61 5181.82 2602.29 7518.06 2424.92 14955.89 7360.24 3291.98 4618.22 4519.43 1813.99 4136.7 11491.55 6050.65 4205.66 6059.7 11569.7 11335.05 8600.09 2845.87 8302.4 7114.49 10853.09 2384.64 1787.22 24096.64 21088.04 5430.92 5690.8 10668.24 9761.2 9393.03 8704.64 9495.53 8662.84 8579.21 7038.53 9494.54 2,4-Dinitro-3'-nitrodiphenyl ether 811.51 1240.66 2658 2338.05 651.69 3362.77 1004.63 709.74 942.8 952.94 986.71 483.85 617.87 958.26 687.18 1236.44 1433.91 1395.53 1014.2 117.4 754.32 5117.38 777.21 713.16 819.13 573.07 640.41 700.16 901.9 620.82 922.49 823.12 992.72 4492.26 864.42 859.59 646.8 7771.79 789.65 535.94 1019.33 921.45 868.07 885.64 800.08 615.25 951.47 1935.75 835.93 433.82 946.89 1766.56 1085.81 1162.5 964.27 959.69 2789.77 3125.32 182.18 9692.4 1559.23 2864.29 1096.2 1479.85 1065.42 1238.62 1452.69 1160.81 1083.08 963.57 1132.74 1387.15 899.5 2837.45 627.56 4297.85 4327.97 4243.41 4387.7 4261.8 4283.27 4435.14 3966.65 4299.95 Narciclasine 7060 3836.72 2569.42 1573.85 3394.94 5486.97 4124.77 8362.38 15773.05 9869.98 25235.35 13263.01 3269.13 13862.3 7376.8 10550.83 4771.94 18249.15 14786.6 12767.69 12182.15 2575.33 9200.32 14095.5 4512.37 8821.18 2530.1 13147.84 7993.23 3706.36 10618.62 24225.9 4824.19 7397.02 5014.34 6359.08 17536.62 448.88 22882.88 3130.57 11008.29 11420.76 17966.05 21853.19 24773.05 7464.05 17004.32 18216.74 11321.62 16966.88 10325.41 19173.08 18626.99 7114.39 4812.31 7342.84 2933.68 2667.56 1738.89 2994.34 18401.67 1166.83 11765.58 4071.47 5709.82 1688.06 13757.21 8709.1 15159.82 13777.53 11408.82 3056.08 21422.29 715.01 19816.67 13130.69 13318.78 13126.42 13434.37 13433.47 13442.9 11383.86 13167.14 13271.6 Borreverine 1738.48 721.45 519.14 458.8 5050.56 1234.37 2312.3 7417.35 1297.99 6427.51 8395.63 14644.19 2896.37 7558.94 619.46 6590.47 751.26 5719.05 1420.63 1594.11 4546.75 1944.46 2812.63 759.82 1020.85 2725.16 2596.73 1930.71 2092.49 2658.01 3041.38 6692.14 2081.95 3817.46 952.48 832.26 2337.67 2482.86 5082.54 1669.73 1718.87 6808.38 410.73 5539.06 10398.91 6918.42 611.6 3788.63 5830.57 5545.02 5589.88 6363.9 6526.17 5390.84 2616.53 1512.17 439.29 2057.94 1459.45 2179.66 5080.49 813.95 1502.98 1031.82 534.53 3463.37 1468.62 1290.15 3722.32 1576.86 3249 2458.51 3706.79 2799.97 1411.41 2653.22 2622.83 2920.04 3124.85 2989.11 2980 3100.22 2775.52 2393.3 7-Epizucchini factor A 3592.25 7123.1 1014.4 3414.03 2323.64 526.27 2923.44 3638.23 5504.98 4365.53 5454.98 871.64 3213.71 3450.88 7772.31 1488.3 1635.17 4631.43 5644.18 2465.52 4176.2 798.94 1061.88 3375.13 3977.73 2601.71 4158.28 2013.29 617.92 551.58 692.08 3504.86 2765.35 3179.89 1973.56 2585.16 6274.58 781.95 3917.66 3811.2 1489 1564.46 4000.14 5165.46 2874.84 3621.11 880.67 1066.92 1692.13 711.19 4323.4 1767.87 4777.67 1948.73 2632.87 2677.55 2820.77 2453.58 6166.96 1167.48 5120.14 3854.64 4423.75 2772.22 4627.75 2135.62 5120.45 4703.44 4940.46 2604.16 8152.56 9250.51 9266.57 2583.62 5687.92 4924.13 3176.49 3488.78 4015.93 4265.77 3989.4 4471.63 4708.05 3907.35 3-Hydroxytetradecanedioic acid 27131.48 27896.6 24201.95 58128.11 74234.07 92540.64 146112.51 32740.4 35094.05 46808.13 51164.77 61142.96 94206.93 48362.6 39244.69 57579.08 36533.46 32515.48 62448.82 27948.61 25275.32 38005.38 31216.02 24242.09 25686.36 18931.57 12959.58 22269.79 37601.49 18720.67 23190.12 36825.5 17036.74 31733.72 34278.25 15681 23198.87 12610.22 36588.9 17889.02 38670.8 39194.98 37355.09 35547.37 49547.75 86482 40924.53 33577.06 25985.55 66488.7 27147.04 37572.32 42350.01 47990.85 47410.58 31048.74 22272.69 46348.4 39653.43 34378.92 36452.89 44555.78 54089 86718.79 81039.67 43529.28 29401.06 47108.32 41409.35 33558.37 34650.77 48485.73 45916.34 66526.87 52790.69 49566.02 49669.08 49679.86 49846.49 50147.25 49845.46 49850.7 49409.95 49116.49 2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium 25598.05 24098.9 19427.09 30990.68 27940.02 22002.93 29122.55 30413.46 28412.58 31897.36 34346.87 35087.2 25261.42 36025.41 33667.4 31691.51 36229.87 35857.03 32033.89 35173.38 16862.78 18187.81 19519.85 19617.3 18972.07 15500.82 12900.46 17227.23 19984.1 26273.25 14754.37 20346.66 18289.99 14117.77 17604.86 16928.03 21021.33 6583.92 28375.23 17337.11 27973.99 24431.17 29328.78 37753.32 33641.39 34346.6 29859.63 27616.78 21286.4 35990.41 22049.76 26978.02 26813.1 24369.54 33146.57 26615.71 20773.99 28903.8 34431.84 26450.1 36581.3 35205.42 33720.93 36833.57 37595.24 34942.85 31762.59 34462.65 34964.59 31422.9 29409.89 33584.46 34665.68 33204.98 34658.59 32408.84 32380.13 32132.64 32399.61 32399.19 32163.33 32107.3 31090.99 32105.42 Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate 706.61 635.83 554.34 4367.11 3134.4 1091.79 7735.56 1355.17 1665.33 1616.81 809.9 1991.86 2314.6 10119.28 711.48 2194.18 5296.44 1791.41 290.72 515.09 479.24 1078.18 495.88 805.46 669.52 760.58 1078.04 768.41 605.72 837.78 1026.17 898.17 675.62 332.03 868.56 813.05 585.34 287.2 510.59 537.13 1731.84 938.27 830.76 626.03 457.72 7749.77 1777.55 822.55 1423.76 2419.29 1010.76 482.07 446.61 3156.01 665.99 507.13 299.53 2000.62 423.74 473.68 948.27 397.61 558.2 541.39 573.74 728.38 1501.29 2179.68 382.13 2008.04 806.88 1212.52 1541.32 7057.7 2121.94 1614 1834.13 1504.85 1595.36 1518.49 1402.24 1281.57 860.81 1376.36 Cuauchichicine 567.81 211.05 385.02 37615.31 51146.24 34547.09 51474.24 1423.01 348.58 316.58 332.14 880.49 19473 370.44 232.84 3791.1 1187.66 337.48 361.74 193.32 632.32 340.47 191.46 169.39 382.84 160.66 588.04 177.75 221.29 392.28 113.24 1503.2 109.54 856.51 247.01 393.95 561.19 154.04 501.95 326.42 34101.24 3273.24 176.57 251.12 326.91 18590.24 320.6 188 52.5 970.42 943.51 249.88 762.29 2103.13 13322.71 391.96 977.89 345.98 1624.21 7831.37 290.34 2826.75 1571.9 898.22 141.91 4221.82 265.32 256.19 379.95 327.19 121.61 624.92 256.19 1214.08 2051.68 9866.23 10079.97 9937.59 10108.4 10084.07 10084.88 9865.99 9884.57 9888.9 Jatrophone 43385.13 49451.58 10167.29 82114.59 78109.86 8036.77 41795.46 11105.33 21406.7 81868.69 17686.25 14166.33 10714.53 48653.36 18666.96 29499.95 76588.85 7621.26 52348.38 13338.34 9911.93 5217.12 4602.59 5055.19 6387.16 7846.73 2553.76 6541.99 11632.41 16035.57 9307.88 36876.75 14119.62 4904.4 7871.96 3207.56 3944.8 4175.47 5522.62 2991.04 17692.65 16800.37 14075.91 21688.04 25222.05 7916.56 11275.8 16173.78 11920.28 13352.49 21952.53 20850.1 12321.82 13565.46 13230.26 23151.71 4669.56 11330.97 13780.58 21039.56 21330.54 14817.97 52264.49 18115.56 8219.81 22221.06 20863.76 22910.51 26245.28 19413.97 16759.69 88619.97 4675.43 28658.49 17897.13 22111.71 20762.78 20120.23 21557.93 21380.86 21364.46 20037.31 12921.1 19857.42 4-Phenethylphenol 8764.56 4608.12 758.56 1819.82 9554.25 7641.9 4540.77 7937.13 10297.14 6913.81 4796.45 8684.95 4766.23 3578.06 10661.77 5783.77 3775.86 9584.14 7027.35 14823.76 5382.79 1566.91 2218.41 2275.55 6739.21 4989.99 2292.62 4721.11 5237.51 6956.78 4840.26 4927.21 4458 2260.33 1425.59 1905.57 6441.59 730.12 3670.85 2440.31 20365.48 11562.39 2344.92 3454.94 9713.11 4199.42 8897.79 3874.97 6496.64 5059.26 7247.52 5197.18 2846.51 3715.3 7431.71 5263.48 952.79 1723.74 7715.97 4084.07 1981.41 3071.18 6038.31 3383.38 3499.67 9901.63 9468.51 6484.22 5644.26 8118.76 10593.67 7814.55 7502.5 4422.41 781.38 8101.02 8102.64 8588.36 8445.39 10258.54 6364.05 8133.08 8111.23 8552.33 Isoamericanol A 14362.92 16117.45 4404.25 6985.86 12328.13 12089.93 4254.56 27024.78 25199.37 29447.02 16780.74 20653.23 16264.06 21260.47 23472.78 19755.93 14413.33 22146.66 39539.39 20128.74 21090.75 12099.31 7133.56 16077.57 19675.24 16866.07 10571.47 16564.69 35127.09 19903.09 20849.82 18765 18174.35 8308.04 8244.32 17826.21 27226.1 5530.74 14654.17 13259.88 28963.62 14412.4 21331.22 20379.07 20041.08 17818.51 28312.22 30527.04 25582.52 24407.76 35625.29 17624.17 12846.61 13663.67 23108.1 15691.92 4275.57 6259.95 31709.57 19528.86 8786.19 9897.49 16518.79 17465.07 26375.96 23641.68 15335.52 17008.43 17981.38 20837.73 30510.3 20636.72 23510.85 10864.43 24039.19 31260.01 33532.75 31068.73 28654.11 31308.45 28882.71 26054.71 28760.87 31872.36 Callichiline 6592.09 2456.97 511.4 491.16 13379.44 2141.86 1841.47 16672.79 12080.62 2260.28 1827.34 5997.45 6591.34 2547.24 6211.42 3803.33 3054.4 4411.61 3441.99 7751.09 8401.47 342.93 1791.93 519.02 6689.18 2504.41 751.56 980.01 12464.08 2429.22 4785.81 3937.49 4046.69 558.04 1206.7 14468.28 5224.25 715.3 2288.24 725.9 6325.16 8920.6 580.53 2677.65 10531.42 1937.2 12325.82 8289.87 2034.76 6370.46 5905.58 658.57 7979.21 606.98 13095.51 901.49 2994.58 301.15 4167.81 561.74 1576.42 6194.61 3686.36 2877.44 5782.19 4484.4 5227.32 3489.33 437.34 14171.53 5525.62 966.08 3653.2 1426.61 2183.41 8350.01 8053.27 7998.22 8367.98 8075.29 8378.12 8497.78 7990.97 8418.07 Cinerin II 1506.52 1332.47 1295.63 2173.53 1594.71 14536.98 3595.24 1479.18 2118.71 3161.52 2808.38 3412.63 20331.21 8648.06 847.46 2475.16 2970.6 1868.35 1214.73 902.51 1046.62 2740.19 1944.77 682.92 963.91 1059.57 1136.4 1545.7 1939.51 1214.34 872.85 5242.61 916.42 560.52 1175.64 1231.77 1596.65 1812.48 1972.65 1483.31 1152.77 728.18 2716.48 2318.61 2334.33 3289.06 1378.12 1981.76 589.02 1730.18 1626.84 1257.89 539.05 2108.69 1343.81 735.6 536.56 3149.74 1879.1 434.07 2043.13 2384.83 1682.91 519.09 2583.42 1689.54 2173.37 950.98 1052.95 673.43 2111 2542.17 526.49 2498.06 2765.2 1813.17 1883.58 1626.62 1750.12 1638.37 1939.26 1954.16 1875.72 1489.03 Albonoursin 3485.43 1804.04 3266.01 8677.77 14927.39 7519.26 5158.04 1665.22 5089.85 3785.87 7986.29 10392.38 25466.03 2890.37 1528.2 10829.73 6418.21 1426.72 2448.84 2022.49 5713.78 1119.36 6320.21 3418.65 2068.88 1079.69 3747.12 2075.11 1226.25 1114.08 1548.34 2636.43 1654.41 11884.01 4086.34 731.75 2001.09 1332.67 4116.97 1618.74 3454.23 4156.89 2102.59 7543.67 6190.76 18723.09 8292.01 692.99 6411.28 8233.42 7588.83 4288.1 5725.59 14977.01 7234.55 2418.8 2746.77 2000.76 6045.78 20000.63 4754.94 12352.63 9881.1 2915.41 2123.91 5156.37 3260.79 5912.42 4342.67 2187.08 1861.88 4556.97 6829.4 4309.26 12997.79 3059.09 5590.99 5579.95 5647.13 5144.34 5215 5567.38 5187.86 5575.2 Benzo[b]naphtho[2,1-d]thiophene 2759.58 2074.88 630.98 909.97 13143.42 3280.76 1701.42 17285.68 2226.76 1152.91 882.23 1068.26 2683.96 2546.73 4211.12 3430.26 1519.87 4630.35 2568.16 5223.72 2843.66 4470.77 605.32 911.03 1984.5 1223.88 8671.89 1025.8 828.79 1847.61 2211.31 926.35 3809.94 593.05 1153.98 384.22 4361.55 6452.35 806.51 580.94 707.36 6119.79 1689.04 1229.86 3968.18 1060.33 3529.62 1993.19 1417.28 1762.8 3506.58 2452.33 1209.58 641.57 10093.36 1077.16 621.52 1062.38 4410.8 1145.29 594.91 2198.13 7198.94 1042.74 823.77 9642.4 1904.49 1234.44 1543.77 6696.72 1414.98 1211.97 718.04 1005.98 739.77 2604.58 2647.74 2607.98 2636.95 2624.58 2548.84 2604.76 2603.76 2637.44 Lactapiperanol C 7699.48 2121.67 669.9 4379.53 10290.08 6924.06 4083.09 9547.58 3831.53 6736.02 2451.44 6557.9 5411.63 2504.67 8142.94 5901.91 5246.34 8377.1 2213.97 4383.11 4151.73 1916.88 1237.74 2256.01 7446.41 2431.68 987.3 1585.53 3938.01 1810.43 2232.64 4443.58 1462.12 1177.22 2275.43 3592.36 6825.41 351.06 1243.37 3433.79 11514.88 10923.2 2124.58 2046.54 3031.56 4820.94 9112.41 1357.98 1439.31 6686.03 2053.21 1586.53 1462.06 2499.88 7190.52 1593.74 1036.05 2014.07 5915.77 2971.83 1982.68 1125.12 3447.89 1668.81 1816.25 7139.16 1489.33 1148.43 9539.58 8960.85 3675.21 6236.45 1398.72 2480.29 2234.92 6538.75 6780.45 6738.91 6598.01 6519.62 6229.93 6728 6525.29 6745.63 Daphnandrine 2395.62 4160.44 1035.39 1368.69 393.04 2082.72 2155.29 4913.05 10559.11 2236.49 3046.39 3848.76 1608.44 2751.01 23667.82 3824.21 3501.05 2421.78 6470.19 8109.37 1025.51 6181.52 4823.89 938.37 2531.24 2322.34 1131.22 3426.74 12446.1 2874.12 2158.83 938.08 10649.15 3459.91 5339.14 3232.81 1688.89 1550.38 1743.43 722.93 3277.6 1675.74 1524.72 2503.15 11915.83 2689.61 16359.28 6509.25 3021.91 6928.39 3051.65 2387.37 2550.16 2487.58 2456.59 3749.81 614.93 5616.23 3495.9 667.23 2733.89 2920.25 1431.78 3926.44 10041.72 3566.64 6229.55 9411.51 4848.91 3380.15 10385.16 3836.42 2827.86 4358.4 2116 5807.88 5434.7 5062.04 5496.71 4646.35 6741.38 5101.04 5801.5 5635.73 Ganoderiol G 45121.65 19699.67 5566.47 5137.61 17729.29 19113.85 31071.98 56866.61 44840.62 18425.26 66762.81 100772.46 65179.02 77707.87 17684.35 42042.72 17558.74 23884.17 64189.13 10633.82 54678.34 13997.1 34215.98 35047.86 46026.56 21009.67 5472.73 67911.72 22119.47 102892.89 58834.47 119053.91 16266.8 13574.77 16450 31469.57 61469.49 8352.48 35827.63 77746.46 29760.77 79397.01 113735.23 76994.59 37014.31 82704.81 39536.76 80063.73 82797.24 114821.89 53072.36 47086.98 14396.9 28818.28 70555.02 25355.7 9561.32 5667.79 60603.62 8510.68 13057.16 6486.4 15982.27 45825.23 72459.15 60417.43 71251.31 66428.89 86231.59 50650.34 46983.06 47385.74 161031.53 44152.5 65130.45 50010.35 50005.93 51160.86 49648.79 49639.93 50006.83 49945.43 49640.27 49790.34 alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol 513.42 438 804.36 5641.18 9408.19 12358.97 18487.51 265.23 286.8 170.96 273.84 669.06 10219.56 518.57 308.97 2197.21 1110.07 512.26 292.92 4594.55 153.22 820.8 259.44 143.47 376.35 197.9 739.45 448.83 999.43 213.17 245.06 1021.62 385.81 546.65 549.96 414.58 489.37 460.54 237.68 234.45 8151.58 1525.43 396.31 176.09 920.67 5451.86 175.14 288.96 233.46 526.52 493.84 551.27 736.81 1246.45 1148.39 575.18 362.44 832.12 436.76 1512.35 558.51 240.2 545.97 1092.05 513.41 485.47 277.83 338.54 438.22 274.57 477.88 551.28 139.02 612.25 1519.11 1965.29 2076.22 2040.48 1973.33 2044.07 1993.89 2014.66 1981.81 2013.68 Brassicanal C 10114.72 9152.13 3709.43 4610.94 13096.67 18194.02 8727.9 16361.48 16923.49 9616.42 12395.43 11061.21 5898.74 6672.16 14913.47 10798.96 7669.86 16320.02 13388.02 22523.66 8927.48 7105.85 4733.42 4985.21 7774.24 7149.88 3772.32 5025.5 9988.63 4241.64 9465.29 8733.39 7248.76 3683.53 3825.84 7090.86 8933.11 2030.98 6130.38 4420.89 13486.14 14478.06 7689.07 7019.23 17881.14 7287.51 17399.13 8345.19 4521.28 12514.81 8606.19 9677.53 6763.39 7713.71 10326.45 10389.76 3352.8 4806.52 13653.62 8200.68 7784.22 5768.79 10444.79 8845.86 8412.53 15513.55 19713.13 7174.52 8508.87 15147.68 15447.53 11560.5 10854.58 9432.78 8638.78 11676.25 11864.27 11711.69 11388.19 11727.98 11866.74 11867.1 11214.06 12051.22 Bafetinib 5156.47 12035.22 12255.6 5611.31 10282.4 56821.2 31193.41 12632.82 10457.14 8249.12 13731.15 9771.3 17384.7 10593.05 8627.33 5173.62 11187.36 14666.11 26124.38 20621.49 6225.33 26956.99 24813.18 7890.31 3957.44 7064.43 4351.12 4946.76 8891.39 4516.72 15521.64 14199.18 7975.52 24294.14 12958.05 4887.81 9155.27 6042.44 9523.78 2524.82 6881.98 11582.7 4521.9 2781.83 9173.93 14522.69 9040.7 5032.83 12154.46 9088.41 9901.85 20594.6 14952.98 6889.37 4953.73 15218.11 7249.33 9067.95 4332.02 25057.86 10557.92 34215.26 10624.38 9567.68 15993.42 5840.07 7847.02 9630.79 7137.71 5944.49 20196.05 8774.5 3764.84 51301.52 21165.48 20784.09 21591.87 21546.63 21156.11 21032.94 22890.74 21518.85 21608.12 20465.92 9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)- 13075.25 8312.86 371.61 935.11 15814.42 26435.08 1386.2 27474.02 19404.38 13692.39 8953.32 26663.84 1642.16 8438.2 25074.72 39377.72 19221.39 21358.88 17416.77 35799.96 7125.15 11733.61 6429.87 5335.74 7133.71 12778.21 2284.5 1162.49 22325.07 15879.59 12010.06 27639.39 13812.22 7640.02 5673.66 10617.55 16746.38 5244.59 8732.07 3896.51 27928.89 33531.07 9705.85 6125.87 29370.47 13445.59 10734.73 13563.47 1478.39 32832.99 17917.43 7547.53 8352.59 2037.65 19492.96 17187.09 8746.77 10298.14 20231.33 16106.93 11234.34 4986.39 7149.18 16129.11 20592.08 21854.44 13623.69 14587.67 19529.51 23263.69 12344.42 22703.8 15040.74 19054.01 15502.52 22006.77 22295.68 21909.1 22020.54 22311.29 22006.52 22854.75 22018.17 22300.66 N-Acetylmannosamine 1542.61 411.76 820.26 928.2 6147.84 798.23 2466.45 2626.77 6547.26 724.78 2934.51 3442.03 736.58 873.15 1607.98 372.38 1675.49 1291.02 1099.97 4548.92 3384.15 1418.14 679.22 1020.62 782.45 2033.47 433.88 2608.33 696.66 1102.88 735.52 1097.35 507.03 2660.19 2750.89 474.47 1421.48 762.19 1254.39 2654.61 1110.3 566.28 2568.26 551.2 2895.41 1808.42 7536.7 1374.25 1168.46 2603.05 1790.56 1117.22 4528.25 3569.35 1653.54 1909.09 855.91 1566.56 2514.66 504.71 961.5 1039.19 3288.97 3590.86 2963.3 6509.09 2823.76 1561 839.28 913.22 3177.1 1804.68 2648.72 1889.87 651.49 15383.58 8247.98 19248.8 10722.81 10638.9 12483.25 19221.91 15484.49 15412.18 26533.42 16345.68 17395.51 23154.15 15694.72 16022.8 9665.41 16731.05 21156.75 12954.77 13981.14 28820.99 15706.47 14673.4 12238.41 13086.6 2153.35 2261.57 2318.06 2167.49 2200.9 660.21 2315.87 2262.63 2197.8 Benz[a]anthracene 8013.67 7197.6 8894.51 10617.38 7246.96 6307.27 10232.51 8937.66 8455.04 6702.6 8590.22 14255.38 6846.48 9850.24 8127.85 7957.24 6918.83 9956.3 7810.55 8077.65 5970.34 2490.72 7110.18 6629.15 5643.75 2046.06 3268.71 4654.5 5230.04 1544.99 3166.87 4541.09 3671.87 5703.83 7714.45 4448.83 6279.49 1011.2 9582.01 5830.39 3076.04 4974.76 9440.12 11498.49 8334.67 11067.52 7284.8 8496.92 6697.83 6600.61 7962.92 11247.12 9638.99 11136.97 8927.56 9112.94 8526.15 9277.94 6377.12 7928.85 9615.24 11724.43 15349.15 11909.27 9556.32 9699.48 7440.33 8193.13 8356.24 9444.5 8060.27 5916.58 9455.55 11316.99 10984.4 8676.93 8779.15 8688.93 8585.95 8767.98 8638.39 8769.25 8679.51 8762.38 Canthiumine 88953.28 44953.93 14910.31 13504.09 85401.13 35599.43 16939.9 67135.42 39932.57 15389.71 51993.21 94450.93 24099.08 30912.44 54083.72 18730.73 25872.05 27460.92 71146.42 55205.82 60141.37 17913.67 32304.72 52046.63 54012.41 43878.9 47232.96 58136.78 20640.53 19612.12 45872.65 35372.04 11323.59 46629.84 28669.89 40076.43 27632.42 26121.78 54812.75 41086.44 56860.07 83791.04 43363.49 36086.39 59686.97 45463.39 41798.96 45012.18 73797.73 58801.33 88991.25 50498.97 53991.03 67173.24 73659.45 28190.66 11719.35 8518.48 66270.55 52774.13 61320.96 87198.43 25198.02 34541.16 32850.94 34760.84 63997.07 56187.08 49917.14 40372.15 38703.5 24599.81 95545.03 37416.87 27026.62 34648.15 36443.42 35944.23 34327.13 35794.72 34854.97 35929.1 32964.26 36122.17 2-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide 5261.41 1123.42 2871.11 3463.74 20708.29 7531.68 4910.86 12077.52 7563.19 18779.3 15322.25 11617.5 9678.22 5962.28 8234.58 10654.81 6816.93 10694.88 7766.11 8286.01 10555.49 4862.28 5484.63 3097.1 7924.17 3035.5 6562.7 2983.97 7557.38 8138.7 4317.64 14574.07 6437.87 5372.21 3617.04 8768.87 7595.99 932.51 4640.45 4075.92 7511.65 10782.08 6223.31 1817.81 10940.27 11405.6 18057.13 17360.94 9490.54 9741.94 10885.18 6035.14 6392.11 5088.61 16635.23 13394.05 2136.28 4532.78 16166.19 6401.29 9538.3 13219.42 11472.34 2056.13 4954.69 10418.05 5662.28 11734.39 4154.1 7844.97 4534.49 6469.11 9857.5 3987.71 6999.71 14828.87 13927.82 13180.96 12397.2 12990.26 11047.86 12641.94 11606.31 18493.04 Dicaffeoylputrescine 9656.42 18598.31 4490.94 3492.63 4962.14 1135.09 1848.76 5182.2 19254.36 14593.56 5671.03 1610.51 6766.81 1545.37 17210.86 1071.01 8017.49 11878.99 8695.45 8186.25 10019.51 22485.68 1685.59 4468.67 14832.98 8291.36 2735.17 2850.33 4333.09 5246.93 12043.86 2428.42 4987.43 1171.08 2988.26 7355.96 10306.07 3357.84 5191.84 3326.6 10039.96 9830.65 5632.3 2876.05 7713.41 5088.45 23027.85 5390.36 4980.94 2463.42 3059.59 9121.85 3618.2 2820.65 7165.84 16997.69 1699.28 8200.3 12039.91 3635.74 8102.52 969.05 6295.27 3182.24 13884.71 7486.72 12233.34 3312.42 6660.93 10004.55 8037.27 4702.98 3472.68 1647.12 4375.24 4766.61 5062.92 4389.2 4727.6 4114.28 4677.7 4660.49 4429.77 4245.47 7b-Hydroxy-3-oxo-5b-cholanoic acid 7910.53 3091.45 5707.74 12977.51 9083.86 12889.2 18558.96 1754 5914.27 5429.23 2972.04 7672.11 17350.04 12638.18 9563.54 4637.07 2790.38 6500.16 6276.9 5731.18 2124.96 1220.91 5247.79 1975.08 1538.52 1756.12 1498.33 4988.28 5733.38 3848.36 663.09 1360.65 1954.3 5244.01 3609.16 2418.35 3150.75 640.63 4806.72 5118.79 7580.06 5081.85 2209.31 3826.63 1349.45 8154.6 4800.17 2675.1 1278.99 3015.77 4944.7 3879.7 5815.83 9617.77 4932.63 5467.43 5598.4 4980.1 4847.73 3202.82 6015.24 5241.68 4345.26 5044.14 2826.46 9021.14 5678.86 4197.82 4322.13 8481.34 575.77 6376.95 6294.29 4909.67 9008.31 4767.76 3638.12 4541.81 4680.89 4837.46 4548.77 4761.62 4516.21 4684.2 6-Benzylaminopurine 38209.97 28519.97 2627.82 7370.65 59118.78 11528.9 20155.29 62415.18 56801.49 31324.46 19374.74 28154.56 24040.13 20435.89 51622.44 19714.81 14968.17 15260.57 24838.65 15304.85 49131.25 474.73 11032.46 14546.25 39098.27 29693.88 7488.35 11426.28 19019.4 10671 7477.81 28896.05 25882.54 12430.04 6842.84 14092.98 41191.44 4273.96 22056.01 6851.74 25653.6 57988.63 12090.74 17662.49 21424.4 16439.32 26274.62 12933.31 11030.43 23474.39 36821.72 42014.56 16321.21 15180.25 40023.97 37129.79 6692.42 7725.77 53952.62 551.83 12457.24 13255.85 38208.91 16270.79 15663.36 58397.62 57199.53 18782.38 18149.68 54778.71 42855.22 33414.52 25178.4 6265.36 20573.09 30201.39 30450.05 30459.15 30455.33 30452.09 30203.82 30199.04 29003.78 30454.55 6-Acetylmorphine 18164.69 18976.17 23031.92 36377.31 21904.12 19322.32 37505.81 20598.81 26964.59 24782.79 43050.87 40849.53 21628.47 31804.16 17311.37 45190.82 35658.61 22202.97 47892.37 23878.61 21781.47 9977.29 26135.57 28859.79 20882.86 17730.45 24812.48 33638.3 23199.14 25063.85 20603.88 32039.47 19183.44 23570.81 28883.83 21101.54 23931.05 13972.22 31206.68 25775.97 20141.39 24492.63 38753.08 33678.02 2021.6 32467.22 20475.57 41061.53 24006.19 46642.03 18942.44 25615.67 36218.03 37277.94 20454.87 20850.28 30544.07 28227.89 22411.16 18089.58 34897.97 32796.97 21242.94 42305.87 33639.23 19810.3 24862.2 33196.59 35871.2 14863.25 19001.83 36136.13 35673.22 37116.84 41598.89 28630.49 28895.01 28535.02 28905.58 28426.34 29398.21 28542.17 30105.25 28686.84 Norbutorphanol 4108.1 3025.17 1442.12 1365.74 7528.29 32100.7 10850.77 8109.93 6573.77 9039.01 8088.13 8263.76 13479.97 5548.2 13381.79 8929.68 5546 10615.62 1013.67 15259.57 3022.6 2715.92 3167.84 3021.69 3636.76 4262.74 844.11 3158.12 3113.03 2119.94 393.44 892.93 4372.9 3988.9 4546.61 4190.45 6591.86 1936.02 3356.38 2334.17 3675.21 7702.11 4594.4 6582.94 8681.48 1158.15 5280.22 592.34 2927.59 3342.7 5679.72 9056.52 4579.84 5871.16 8267.65 6284.28 3203.76 3425.73 10004.93 1338.8 6025.21 1404.84 5924.48 6839.05 4603.59 6546.67 10389.19 9103.87 7695.5 6284.63 8410.47 2224.67 2082.07 6393.22 11313.7 10444.77 10547.18 10874.15 10418.68 10398.74 10757.75 10757.62 10386.31 10730.21 Clofazimine 2680.8 2023.23 733.25 4412.61 8314.67 15164.88 6462.17 5857.32 6166.17 3940.67 2877 13913.37 24188.42 18467.66 8661.92 8604.21 7679 12115.52 17046.05 21631.02 761.27 465.72 1413.11 2077.09 376.7 1405.43 1024.44 1406.34 2101.83 497.5 2184.91 7189.51 1513.27 1694.41 1587.81 1118.26 1334.42 588.06 1533.94 702.4 4502.92 4422.43 1342.45 1475.83 9566.93 4391.55 4346.39 5377.91 1743.74 31807.57 1603.76 2779.34 1627.88 3272.87 2983.57 2982.46 1446.45 2249.81 1465.15 1538.99 1492.09 1131.71 2904.45 2359.16 3267.01 7178.91 18680.08 6247.12 5195.88 2098.53 3131.39 4938.06 4510.47 5653.05 5511.24 4462.82 5809.82 6135.22 5745.75 5806.25 6001.52 5800.3 5725.26 6026.84 Pandamine 50591.52 26875.11 21984.83 2641.37 27616.67 31613.93 1108.88 76553.22 67437.96 75634.89 54204.05 93974.41 39742.24 50734.39 70635.7 68016.88 23843.21 131667.68 128633.07 61010.07 69025.16 41569.33 47488.55 27460.97 57117.85 39727.66 17591.25 29668.62 72453.38 89606.39 34997.06 127136.61 40144.68 39685.69 19588.87 46007.12 66473.36 10413.84 35506.2 15806.7 33181.89 84744.79 46232.6 42546.92 99050.01 34717.27 54037.85 43862.11 100119 83602.65 102972.53 52186.13 50855.77 59266.66 68272.1 44502.6 12610.16 22584.88 104434.14 24995.03 42896.41 43530.82 60351.78 57098.25 46357.09 75693.52 46749.15 48832.25 43454.38 60653.89 39929.31 81200.3 57680.61 38106.85 37873.02 60627.42 60207.58 60171.83 61493.82 60170.57 60592.02 60664.65 59900.29 60167.02 C.I. Acid Red 114 38449.02 34074.33 46723.46 32103.56 36162.55 12628.63 29082.69 62420.09 67108.29 32532.22 14205.62 82476.65 40489.22 29609.92 40246.48 37390.23 33430.38 109569.12 55707.56 72548.17 36953.4 17882.27 32808.26 29232.43 73872.63 13394.07 14528.25 38526.2 44847.02 47912.53 24100.24 28668.86 37115.21 34687.25 23354.25 100013.94 35159.93 1224.69 29488.39 24637.72 30885.13 18243.67 30723.12 22941.01 37198.13 13478.56 54599.63 92427.97 9315.36 17189.42 18267.52 26253.69 27974.33 15130.36 16516.53 25188.4 28224.37 18718.39 31238.48 13674.01 17110.53 28132.01 49769.28 25203.41 40797.67 30676.24 22245.41 51029.11 47864.87 42579.53 31937.17 25226.46 6142.85 15453.46 18034.43 29344.77 28884.79 29299.84 26713.3 29322 28529.49 29225.55 29303.48 29351.42 Dioncophylline A 7973.32 3707.69 283.36 4472.73 2458.2 3847.47 3125.33 2603.62 5063.8 4304.69 732.2 4882.57 8318.95 7434.62 4161.45 1390.42 3045.71 9422.67 17289.48 6458.15 527.62 293.03 339.76 296.65 766.17 485.13 493.83 812.11 5804.9 503.49 2008.07 5141.84 390.23 704.57 887.25 643.69 752.15 356.7 339.43 633.35 7452.42 5055.38 567.94 702.79 12989.44 5972.45 3351.37 2199.59 497.38 7003.68 2338.15 3735.09 531.99 1336.1 1312.62 995.39 904.61 284.86 563.96 944.53 266.55 1003.02 890.83 352.89 293.07 3226.81 8706.85 916.03 278.08 909.84 2079.56 749.41 554.52 993.51 725.73 2393.65 2550.37 2618.55 2622.04 2619.8 2547.81 2575.78 2871.64 2575.8 Fenpropimorph 8631.99 4447.99 572.66 626.06 7164.81 3569.39 9807.01 10698.05 20653.89 5198.12 4178.81 13519.44 8357.48 4690.95 5955.23 6751.79 2937.79 9033.7 9287.35 14409.81 8850.82 2208.71 3128.64 1575.43 7400.06 6171.59 4056.67 3375 9143.95 6857.11 7284.14 6107.61 2057.17 1322.33 1396.66 7446.52 7488.04 1055.8 3215.27 1915.75 11031.97 22851.9 2980.39 5856.51 22019.27 8178.18 11366.21 5254.52 2675.11 5645.31 5781.06 7104.25 2748.46 5375.36 10031.02 3416.95 1843.28 1859.35 8004.29 4455.64 4799.36 3798.71 8999.13 2825.52 1612.49 14711.14 12625.98 6970.46 6519.95 9784.42 4949.21 11543.27 3729.45 3068.03 6453.27 8188.97 8275.03 8220.84 8134.77 8080.07 8080.59 8172.48 7834.95 8073.74 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline 7144.04 7647.81 1394.76 2724.96 19269.07 8871.34 3958.95 8389.1 8813.96 5255.95 6580.99 10101.94 6899.85 6033.7 9876.68 4222.8 3175.38 11242.3 7592.97 22826.05 7725.94 4308.71 3134.32 1734.67 4200.54 5598.62 823.89 3387.44 6137.11 4669.8 8054.07 6028.18 3377.23 2453.17 3649.7 6527.08 4641.6 1543.31 4119.24 1276.05 19955.36 13290.95 2236.76 3862.41 20070.42 5297 11123.56 4624.8 4722.09 7738.02 5177.71 10976.95 5630.1 4427.39 6366.14 6697.52 2157.19 2951.09 5848.14 5600.86 2288.54 3853.33 4160.65 3149.87 2440.17 3292.48 15943.02 4354.61 5878.47 11707.86 11809.78 7110.49 3856.93 1635.25 2968.95 7677.68 6045.23 7664.62 7547.21 7642.43 7204.35 7921.59 7754.84 7352.16 LPE(20:4/0:0) 31848.15 42353.79 55835.62 42939.63 49814.34 37647.07 59319.86 43685.49 43794.91 57873.82 38113.22 51939.49 40358.65 30669.62 39212.12 49609.23 54372.61 27125.09 81744.35 33752.26 48118.59 24179.73 19540.44 34329.09 24557.16 16832.76 22283.59 21609.81 29186.94 22247.89 31189.14 16808.04 20975.9 42575.38 32275.69 20855.54 18115.51 29564.95 15474.75 36252.14 31276.36 43030.79 33465.82 38246.93 57098.52 46747.08 54560.5 43434.76 36876.23 39961.7 51798.7 29564.36 41884.55 34989.46 24228.66 29074.41 41088.03 59535.96 48960.3 50929.15 52612.95 49821.35 63655.14 38430.6 50217.46 37701.91 27525.23 47617.81 36393.16 37432.79 47367.87 62150.14 48415.72 42809.26 43559.66 40839.14 43228.24 30506.04 35452.98 36980.81 39502.0 42493.64 64267.67 48169.95 43189.04 44469.61 60464.5 64810.89 56159.45 30681.99 79036.34 37096.29 38898.26 51798.02 46384.32 31557.65 41337.38 70826.97 41043.98 33062.4 42956.91 43398.45 42868.79 42848.43 43735.66 40312.33 43549.81 42442.22 44746.93 (3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one 331718.5 308075.8 12973.11 39580.89 29506.13 151481.11 10290.31 7325.1 170917.25 26029.37 24974.56 201721.36 66305.61 115610.38 61778.03 51453.22 37882.46 197743.71 142265.68 229856.22 8559.5 233796.44 23556.04 10623.5 13007.46 15434.63 4192.65 13749.68 77616.9 50417.45 100681.64 163626.85 32729.96 9971.06 4595.31 64410.7 9241.26 7082.02 19673.76 8967.63 171240.66 30570.49 30290.33 45018.12 196628.02 111049.37 47746.74 257068.51 58172.08 209028.01 66013.62 34763.23 26561 66681.86 56222.25 10399.97 2624.97 18354.13 6216.05 13602.71 22877.86 9081.07 50396.96 26082.74 40950.38 76750.66 178068.84 48478.35 51421.55 14584.54 51927.01 29441.49 22952.3 55608.76 50321.51 79739.02 79912.19 78032.22 80033.99 81548.47 77138.26 78388.4 78212.69 80097.44 [(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate 14053.67 6401.15 325.67 5669.66 47940.56 32260.83 2077.95 65164.77 37328.55 1625.5 4518.48 52594.3 5311.9 4930.36 12002.18 14322.28 784.94 2599.55 888.03 18419 18691.21 4463.56 3572.61 2706.91 15498.98 15451.96 3476.53 3958.44 12567.88 5004.06 4477.45 5458.4 11211.42 3482.06 1799.86 7640.35 16130.29 3252.19 380.18 1248.81 9283.63 33163.6 554.61 5298.44 60094.09 3719.32 12447.48 16855.38 9889.83 557.01 22135.53 11393.94 5196.88 3721.34 28888.19 27185.37 629.59 1810.48 37629.51 40521.36 5061.85 5467.68 12908.9 1021.56 2640.08 46132.94 35821.81 1244.07 4844.87 48095.43 20420.25 1303.65 11842.53 6078.01 3297.08 15448.85 16803.39 16698.5 17130.27 16568.26 18300.31 17150.44 17121.11 16661.44 Columbianetin 1569.34 1848.76 2115.54 620.84 1639.54 471.74 1792.02 2659.88 1949.61 3399.11 3540.22 1289.38 3094.73 4115.45 3250.61 1890.57 2265.16 1599.15 4221.04 2649.3 3464.68 1042.74 523.31 2128.46 2434.57 2522.59 3244.56 2463.88 2344.17 1282.22 2290.75 578.62 2786.25 1672.23 2164.91 2128.42 1958.3 2861.34 2851.89 1422.68 1337.08 1872.19 3149.97 900.16 3644.01 3105.89 4349.74 4331.81 1978.04 969.4 1020.98 2160.94 616.48 2421.76 1513.04 2002.38 2723 1617.17 3932.03 3479.5 2771.86 3488.49 3601.65 3415.17 3830.94 1966.83 2152.31 3791.64 2414.65 3338.21 3549.66 2344.83 4271.89 2637.91 976.82 3520.84 3391.44 3308.26 3440.53 3661.43 3687.23 3512.72 3584.82 3640.39 Biperiden 485.92 277.13 305.39 4293.58 17483.11 10128.35 6721.86 566.17 227.02 318.49 434.48 323.95 7155.3 554.84 304.85 3020.75 738.28 229.24 485.44 130.74 124.38 326.42 233.76 296.25 388.9 232.04 297.92 92.34 178.02 201.86 91.64 722.09 390.81 184.2 250.47 179.33 648.9 438.57 194.51 225.44 4863.9 422.39 383.17 605.72 240.81 4451.96 373.3 560.81 120.51 564.83 2124.79 283.93 332.87 1104.91 2306.24 540.95 879.15 364.28 218.7 942.23 680.43 874.7 613.02 899.69 260.55 612.07 302.69 401.58 257.81 153.39 290.1 355.96 769.6 789.19 998.78 2981.9 2314.29 2160.65 2282.52 2439.43 2442.24 2312.73 2367.19 2310.05 Vignatic acid A 1664.45 864.2 476.97 632.74 353.89 27282.46 5077.11 735.3 1151.27 272.95 483.35 2167.13 1787.68 490 236.64 844.85 1266.76 560.23 726.4 2315.29 671.41 17801 2662.73 164.16 663.19 1143.08 173.4 395.53 332.72 115.37 271.73 3119.79 215.99 27438.1 134.28 688.88 242.41 9347.95 147.42 116.19 692.28 505.55 360 709.77 579.16 1633.59 258.09 296.21 258.47 1969.9 771.9 335.52 425.55 137.98 1879.65 567.13 1026.24 445.17 720.99 41930.55 542.82 825.66 107.7 659.62 372.28 698.15 863.2 497.23 3008.53 408.01 430.76 3738.69 1600.23 2981.23 492.02 3560.76 3734.09 3621.48 3423.3 3610.13 4435.85 3729.49 1900.47 3499.48 Icacine 228.41 365.37 559.59 4219.55 11226.48 4424.46 6057.19 542.16 280.33 498.46 501.63 418.82 1352.3 537.5 99.12 1902.21 924.71 548.75 189.08 446.05 230.18 1093.61 465.78 332.16 299.99 165.02 126.69 143.74 93 316.09 232.18 136.34 248.44 998.69 537.29 106.53 212.77 542.47 374.14 396.5 4853.42 826.95 272.49 115.72 134.96 1625.39 375.48 367.43 818.33 149.71 502.64 195 107.37 229.79 867.25 176.27 561.6 446.9 473.2 2813.49 400.05 785.66 105.36 670.76 424.05 112.24 493.91 223.38 546.14 383.62 119.7 181.73 372.34 212.21 192.83 2530.26 2163.39 2492.18 2506.7 2605.43 2592.64 2497.1 2497.56 2590.1 Savinin 17342.67 65492.77 49683.04 48762.39 13743.82 21387.33 65999.8 39504.06 28658.64 58108.44 57347.06 28863.05 38685.91 54194.37 18881.49 43836.25 82131.22 57655.73 30876.14 23591.66 52606.86 57355.18 66698.88 76708.5 57551.3 77843.07 105865.48 76437.11 75394.07 75721.02 18805.41 42737 75800.83 72158.58 72199.06 69767.25 94783.24 81534.5 78279.05 111796.85 14767.39 64641.55 72897.32 68811.9 29718.86 46605.93 12458.67 59736.24 63655.36 5248.6 45018.06 53317.63 57136.4 65817.67 41849.36 61029.63 50502.27 56643.82 7611.06 66033.32 68414.57 62077.28 64476.29 63414.51 67234.68 17166.33 19139.57 60348.6 63394.91 18635.63 7939.42 69762.04 55648.49 49345.72 53831.37 36967.59 30358.61 32905.03 33036.02 32963.67 28939.92 22327.75 34827.65 29072.75 Acronycidine 9300.83 7026.79 2209.79 3014.3 3551.42 15951.82 5185.92 12225.32 11776.8 5514.67 4471.06 5400.81 5514.51 5157.61 10902.36 3601.08 3248.72 8872.4 11036.72 12559.91 7161.66 7140.95 2429.57 1460.67 7151.41 5046.15 1389.18 1728.44 5337.27 4250.85 4574.46 5792.01 4008.91 2750.87 2663.73 4115.93 5068.17 2465.27 2910.12 1786.49 7608.73 13483.45 1767.23 3584.66 9541.83 7134.76 7347.05 3414.62 2841.6 5497.21 8875.04 8628.23 4335.31 3234.08 9660.96 4543.18 1159.69 1319.35 9928.83 5247.14 3353.52 3211.95 8257.2 4829.83 4525.28 13003.83 13636.41 3629.28 2655.55 10159.83 5918.48 7158.39 1551.13 3287.02 3049 8248.35 8357.31 8103.52 8355.58 8601.56 7911.98 8322.91 8070.2 8228.76 Basic red 2 7593.14 17177.29 6023.61 6099.29 11811.87 6149.34 3015.19 16536.78 13671.34 6872.62 11757.8 7598.34 8524.14 3259.36 14860.07 12287.5 11331.42 14969.29 22731.63 21201.12 9621.59 1371.58 2020.89 5662.86 11300.1 5064.73 2241.6 5936.65 17401.5 7137.97 11116.55 5780.64 14313.89 4004.6 8800.56 9995.8 11976.7 3409.92 3109.24 6468.16 9923.4 11526.35 10834.95 6343.74 15964.99 8129.01 17552.92 9765.71 4574.56 13069.98 3471.76 11522.83 8151.76 8393.26 11632.32 14519.55 3835.93 5219.84 22023.14 9308.96 3643.88 2247.24 11137.1 10202.56 11843.62 11323.5 17869.86 5374.89 9229.07 12029.57 17878.43 3734.64 11510.52 12260.43 5768.8 11590.6 11615.81 11637.35 11260.51 11259.19 11300.44 12023.47 11277.21 10172.59 Estrogens, Conjugated 4578.14 6261.96 6077.01 6021.28 10607.59 6085.87 6028.49 8703 11090.29 14222.85 13749.7 6234.22 7233.58 4558.53 9859.67 11936.28 9991.37 16217.52 8899.53 14636.42 13122.8 12465.91 6598.06 6123.53 8856.6 5495.37 5233.46 3774.63 19329.73 2922.8 7858.77 7262.65 12119.2 4770.77 7972.05 9911.03 11359.98 2424.25 4978.43 6810.28 11706.83 7204.91 8228.17 7397.58 8683.38 6378.74 14141.71 11276.15 2268.05 7381.2 2333.75 10797.53 8443.89 8559.02 4659.18 9623.94 5049.68 8774.11 15046.37 14727.88 7372.36 5123.68 11121.54 4971.52 5329.78 11982.42 14405.56 7018.97 9160.48 9710.42 10371.8 15550.94 13329.6 14808.1 7357.24 9627.57 9156.92 9137.26 10068.65 9071.2 6055.68 9387.86 10825.07 9163.05 Zygadenine 801.79 25656.26 19237.52 25671.58 6514.02 34056.73 785.23 7429.98 745.21 1353.04 2118.04 1791.27 2313.66 2574.35 7708.55 7535.22 4885.59 1485.98 18045.67 12834.36 2766.1 24866.62 27695.76 684.67 412.04 2448.14 349.09 610.36 5840.81 686.51 1256.77 1634.52 8468.64 5102.34 9316.63 2272.31 1495.7 10494.57 351.98 5332.35 7163.95 7081.3 37622.85 5070.07 3807.42 11059.54 9988 2746.36 8429.1 34029.86 1361.6 6407.56 4403.22 2007.04 1529.08 26983.38 8032.19 19949.86 8630.88 37951.5 4803.59 27098.7 15068.27 38609.5 34063.12 3711.59 11211.43 500.5 3580.23 2854.78 6040.1 40460.62 2918.64 35725.83 34626.42 10875.01 11214.95 8367.34 15505.99 12053.95 11232.25 12899.64 12597.44 10911.53 Psychotridine 2084.55 1685.2 1096.87 1398.57 6881.83 6654.69 3713.15 7672.58 4018.63 6481.76 3238.35 6772.33 7982.92 5331.91 4932.56 5536.59 1664.6 6470.69 7157.95 550.7 1992 2473.44 3407.21 1365.94 2845.27 2594.13 582.63 825.6 1409.75 1965.8 338.66 4193.01 1547.52 2146.05 855.63 2179.08 2275.62 994.89 1090.38 1087.54 376.68 4267.7 1927.38 2186 7574.42 3239.04 2545.9 1236.4 2626.21 4054.21 2765.22 4546.29 4155.49 3940.9 7419.57 3596.46 695.65 1366.76 6160.95 2237.25 3727.01 4846.39 6502.75 5294.77 2329.19 12011.43 1983.54 4356.17 3013.16 4937.63 344.45 5037.41 1333.49 3051.45 3454.69 5590.41 5592.7 5640.43 5664.53 5412.04 5753.37 5657.97 5589.49 5664.37 [(1R,3S,4R,8R,9Z,13R,15S)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-methylprop-2-enoate 7305.35 2311.13 2449.78 6369.55 16712.67 684.01 23129.1 12709.58 16939.3 14384.8 27439.99 32783.26 25375.86 36804.46 14810.29 29900.58 17383.23 18783.34 39759 26019.02 13810.97 7658.57 8750.24 16753.87 12262.33 13145.34 20107.73 24241.78 20636.99 23477.73 28504.03 20651.31 7016.7 11137.83 14233.76 15462.56 16420.22 3190.08 16880.89 6758.71 18660.05 18281.57 21701.76 21076.89 19755.87 26460.95 21411.43 52540.77 17813.21 58978.07 10364.47 20835.75 21333.2 21134.19 7157.31 10789.98 5365.51 6501.26 16491.05 876.39 18085.63 8812.31 10434.16 9435.56 15715.81 12408.41 18758.43 24611.55 28184.21 9023.22 8030.02 14433.47 20506.75 6095.43 17735.56 18730.38 18427.52 18433.21 18728.18 19655.06 18722.99 18442.25 18115.72 18536.92 Estradiol-17-phenylpropionate 2934.45 13516.01 22448.43 21298.25 28145.63 51477.42 2196.11 31340.88 91598.38 31074.3 37856.27 34094.8 42831.32 26579.8 50654.16 63279.1 89165.98 53385.41 53043.77 14019.15 28791.77 9557.56 17056.96 6405.61 12840.71 8096.8 5657 4013.34 3083.57 8789.76 19602.73 6934.88 22487.11 10464.36 15939.08 27934.96 4394.95 10946.01 439.91 18520.18 13104.89 36852.64 31106.31 21056.55 30242.27 42182.58 17867.32 52772.5 26996.92 130643.17 33438.82 22411.79 66770.72 25513.46 18467.14 25385.95 35155.96 50750.92 14788.51 45272.14 134573.06 35534.35 20417.59 28008.51 40856.29 68102.98 40577.22 32222.37 50480.86 117337.07 112635.97 41026.86 43067.85 45691.3 37686.69 5269.01 11098.94 2679.98 5598.81 4917.02 9351.03 6306.04 7882.76 4953.68 5320.75 5085.48 5198.13 6744.95 6188.47 5232.95 11881.33 12644.39 6991.31 6728.73 2666.71 12391.64 7285.41 8434.01 9298.78 10387.31 74004.22 70859.43 76815.26 75298.55 72405.73 73646.98 55971.14 75263.72 68340.16 Decaline 6858.34 7540 1147.96 4561.16 13881.4 40746.63 953.39 8758.81 17506.57 9125.83 3611.22 7622.59 7210.32 3551.85 12100.16 3339.19 7805.29 9460.08 6654.09 13487.73 7324.91 17570.46 3968.7 1480.7 5538.35 8400.6 972.5 465.8 5980.98 2200.71 3208.87 3177.5 4814.15 2087.43 1494.98 4921.35 8616.63 2261.64 3504.3 1332.04 11002.7 24075.72 5916.16 6221.04 5752.79 4046.02 5563.87 3874.59 1361.33 5668.22 8175.98 12249.36 1478.12 1855.89 11760.01 7724.44 2378.9 2199.7 15016.08 10991.62 5260.09 4044.28 9885.98 3905.03 2309.12 10165.63 24575.57 2628.02 2279.44 6598.98 16183.41 7605.87 3437.98 3176.79 7207.35 11053.65 11002.19 10976.57 11315.48 10794.6 11635.95 10918.28 8518.98 12443.01 (E,E,E)-Sylvatine 5131.38 13382.46 3548.4 5741.08 12926.96 5319.01 5081.3 8849.65 8913.21 13400.95 8211.05 10703.77 5697.81 6713.42 22062.58 3672.38 12913.25 14113.88 15104.78 9662.22 2395.81 1399.17 537.15 1210.93 968.31 716.2 473.39 239.18 1253.47 1230.73 2450.28 3631.63 1342.01 1705.38 1740.34 893.39 993.73 2311.94 523.02 1382.95 9653.52 7336.04 2640.23 3080.95 29158.85 7968.1 6359.04 4444.66 3488.79 12932.13 5600.61 4487.23 4702.25 4350.97 3615.12 5832.89 2309.63 3625.3 2097.28 5046.69 4073.15 2852.84 10377.26 9823.52 5448.17 4970.86 10186.01 7967.67 4468.91 4531.6 7002.96 6869.62 5136.58 6545.57 5402.53 11288.99 12974.3 11346.87 12000.67 13258.92 12662.43 11353.09 12699.05 11317.29 Dauricine 10320.52 7325.84 2958.9 8415.36 14169.36 24021.51 5909.54 2269.51 2951.58 4595.1 5608.8 1822.76 8636.45 5064.4 21682.2 2637.76 2583.96 27336.91 6482.07 6782.52 5081.2 14116.45 862.66 1295.33 6347.3 5261.63 362.04 3385.71 5209.59 2829.51 2755.83 6645.58 1469.55 2188.01 3116.72 2866.66 4913.22 2011.68 1604.78 1615.94 4209.27 7213.38 6563.28 1711.38 7825.57 1187.39 4779.66 4744.37 4378.2 11751.8 2678.83 14228.46 6549.89 3177.86 10760.02 20283.88 3583.19 6091.03 12407.45 7107.4 4912.97 1649.29 14461.78 7434.42 2524.68 4080.31 3845.13 1151.59 775.11 8808.62 2501.19 5450.17 3439.34 8958.44 836.42 7925.08 7408.1 8119.71 7409.59 7514.15 7893.72 7511.1 7935.35 6906.6 Isolobinine 8147.24 5669.64 7242.6 14293.58 5688.51 15489.46 13609.29 11732.02 12797.14 16453.22 16363.84 13810.41 14783.18 12229.07 9463.49 17069.62 13514.83 12385 25398.14 12547.77 8903.36 7460.88 10381.34 6735.75 5266.51 3939.13 4398.7 5116.93 8446.17 7043.4 4801.72 13854.74 4910.8 16483.69 7027.75 5552.17 7009.48 2762.73 10646.89 4648.45 7400.95 9212 14748.09 12724.37 7723.23 11628.69 11180.49 15317.06 9734.88 15123.44 6280.69 8286.92 13852.46 12989.93 7484.54 8158.83 4852.48 4440.22 12570.81 4358.47 7618.6 12648.13 7104.67 17024.25 15306.88 10271.57 9819 13574.18 11060.61 12022.22 9746.79 15845.13 8476.63 15903.27 10170.11 13158.01 13195.2 12394.31 13710.05 13475.37 13496.28 13016.9 13498.47 13262.62 Pyriminobac [ISO] 65676.77 20515.34 5476.54 14562.98 65052.11 26656.26 24020.86 95390.85 97379.54 40062.75 29079.84 33864.77 19458.86 31284.88 84892.6 49903.9 9586.87 62694.49 71746.97 180607.89 34946.42 8079.88 5052.37 10433.68 21828.01 26959.96 13110.6 87221.64 65250.82 34811.82 56282.16 94016.32 31420.75 12595.52 10361.08 39111.21 47858.62 3153.68 22376.38 11918.77 92519.27 98077.56 14851.56 20636.88 103931.28 30976.85 101331.94 23928.78 42378.91 287561.89 165993.98 19228.59 10755.8 27473.1 49910.3 15171.12 2797.87 4122.45 68212.37 16243.88 14525.13 11290.75 34706.41 16955.31 26278.76 49309.72 42789.44 36822.93 46037.44 81583.71 93638.52 44190.78 39034.18 21039.79 25910.68 42452.39 39493.67 22370.64 41703.28 39945.27 39423.03 42216.81 39955 42233.79 cis-Caffeic acid 7573.8 3320.05 8653.89 20281.27 1873.86 2500.35 1813.47 4362.36 2113.49 6172.72 16789.33 1112.86 3909.47 12617.22 4042.57 2388.88 5286.03 2335.4 577.15 2181.79 5321.09 4893.38 6046.95 10753.47 1285.8 1479.81 1069.11 3855.54 707.61 982.88 1559.65 1428.64 585.39 3986.69 1270.97 799.15 7983.88 1033.87 7521.43 4009.74 3516.39 2118.38 3481.26 17384.97 2365.46 44690.56 3635.04 4180.95 2391.41 1598.23 4720.06 4700.75 8526.98 5720.21 11700.37 1611.94 7096.43 9500.68 2374.1 935.15 14240.91 30111.09 19454.08 7564 2312.86 6066.62 3520.14 3045.11 1661.99 10827.6 2672.36 1027.63 28220.87 8097.01 10452.67 5456.48 5457.56 4865.96 5800.47 6124.97 5478.94 5490.3 6593.01 5792.76 6alpha-Fluoro-17-hydroxy progesterone acetate 3041.51 5559.52 1544.91 4845.46 14255.24 7684.74 4166.29 1764.87 11170.97 411.7 428.53 5584.94 11283.12 5458.12 6146.29 2860 2695.6 7406.38 10700.17 9852.78 394.97 2007.74 1314.82 278.35 1919.89 1233.28 958.53 1560.83 657.54 257.74 9232.31 3407.29 1964.87 1313.49 969.55 482.98 1242.54 620.21 1882 891.12 5815.4 2091.86 1140.21 525.65 26286.5 1610.21 5006.34 4163.08 3325.84 3406.66 3962.52 576.86 466.09 1451.08 7807.67 2958.58 1168.72 384.97 324.74 437.95 381.64 2629.2 4469.17 1820.28 1253.31 22753.76 4218.06 1152.85 1926.66 1867.53 4273.82 1273.25 425.4 3216.3 1900.08 3731.57 4392.29 3833.95 4394.3 3826.5 5241.39 4373.02 3463.36 4253.34 N-Acetyl-L-tyrosine 3478.32 4163.43 3168.38 10595.37 15323.95 4063.22 8062.71 4431.59 3983.8 3347.96 3442.7 5573.05 21441.06 2950.61 10465.86 2343.34 3050.32 5788.24 10323.77 1006.75 1358.81 837.49 2493.39 2309.03 3213.89 1639.39 1605.46 1961.21 6062.29 1098.66 671.24 1825.19 4413.11 2746.08 2925.14 2283.91 1763.32 391.84 4255.78 3089.82 3256.43 3102.69 3850.05 4874.93 3143.89 12812.95 4400.95 8321.67 2889.67 4524.03 3053.77 2752.78 4362.97 12391.44 4322.59 2377.95 4860.58 4384.11 2078.13 1548.33 1342.29 3464.12 4716.48 6227.63 3564.21 3784.78 2783.22 4872.84 1086.94 2804.77 3555.62 3600.07 5847.65 13285.2 13924.47 45069.52 40013.5 83480.95 63138.27 71465.36 64809.33 151178.05 60583.71 28926.05 35711.14 75818.53 37312.39 108800.54 53117.22 42222.75 43732.59 51564.65 48576.26 65301.89 68208.55 130739.94 43767.01 80497.84 59248.18 126842.06 4838.16 4895 4702.1 4884.28 4695.87 4724.4 4612.17 5261.14 5040.26 Hippomane factor M1 20626.57 20211.29 10867.13 13366.49 25504.09 9953.79 1865.74 37387.98 19279.1 2250.16 16168.24 30472.53 29818.94 26053.89 26185.1 12787.03 20644.03 31439.53 61010.16 12238.58 9865.07 1317.57 9817.46 6951.51 9344.57 9156.82 6521.77 3498.72 2866.71 1941.22 3636.05 14833.03 7999.96 5937.28 2560.24 24164.61 10483.96 3053.98 11135.54 2071.32 3362.86 16976.94 14352.87 13640.68 40683.87 14999.11 23831.85 23634.77 21486.32 5541 26093.83 26031.36 46293.36 16389.85 31181.72 19786.47 12566.16 596.78 36046.43 11459.75 58780.77 41053.73 29351.26 27909.94 20572.9 28154.36 4242.24 12406.07 17173.82 55785.51 21315 13470.97 16059.87 2393.32 21096.29 1943.95 507.94 1350.93 1794.78 2421.64 1703.61 1685.47 536.09 2117.79 1632.85 2057.68 2774.55 1997.17 1208.38 1747.73 579.69 3174.13 1592.69 1075.53 1080.56 1722.0 1420.24 505.34 738.82 17955.84 16960.03 17891.82 17935.34 17808.44 17521.03 16970.71 16964.02 7328.17 Chlorophorin 6077.16 6352.19 6406.37 6790.5 3456.11 2090.95 3500.5 3876.62 2277.41 4498.95 5502.43 3275.05 3292.56 7037.68 2213.54 3436.54 8146.97 2192.42 4154.7 4401.14 4419.14 2560.97 6040.01 5243.89 5520.08 2136.98 5276.56 6134.28 1469.87 8460.65 1380.36 3635.17 4096.12 3561.28 5094.74 4668.7 2649.6 1619.25 6921.68 8738.41 4774.22 2572.16 5463.71 10294.97 2027.09 778.6 3005.7 6568.02 4465.66 1356.91 1441.66 5584.87 5779.65 2552.45 6709.75 4536.52 11772.22 9719.16 4704.92 4528.26 9502.1 8977.1 5891.25 5917.74 7447.2 6237.02 3413.88 4644.77 9996.93 4185.99 6474.83 5966.48 4767.22 3952.87 3855.53 3705.21 3564.84 2315.36 3344.65 3204.02 3570.54 3474.06 3433.22 3666.63 5,7-Dihydroxy-8-prenylflavone 1877.29 4215.94 1163.42 5338.06 2944.4 1308.31 3531.18 1875 3633.23 1698.44 2668.7 2837.46 4446.97 4917.13 4272.11 5582.14 4921.86 5675.69 8313.37 4935.26 3435.99 832.68 1674.11 2972.91 1921.59 709.24 1343.73 626.12 4348.81 3493.79 4060.26 3166.37 1883.03 4152.55 1179.43 2181.73 1021.35 1167.81 2450.54 1396.76 6433.13 2009.97 1415.32 2986.69 5743.47 969.53 6541.56 2625.64 546.1 2288.73 1098.78 1252.33 2729.6 3456.16 4710.41 1770.32 833.67 3503.93 1019.97 12226.23 3367.59 2178.01 2244.07 1582.77 3332.88 6052.67 4478.43 2217.2 4891.02 4347.28 2363.54 4922.85 1525.88 5365.88 4320.71 2414.38 2917.24 2936.36 2929.18 3060.14 3067.92 2944.78 3022.66 3059.99 6alpha-Hydroxycortisol 28275.06 152976.35 5954.76 74362.52 20003.33 95779.85 41362.27 3111.3 18249.59 9717.89 10101.81 55481.1 126283.09 265658.87 62864.32 25242.23 89886.31 110512.18 150597.48 69356.81 2435.79 4100.99 1990.28 2991.64 631.24 3325.82 579.81 1605.6 25050.98 9177.82 24163.64 123628.06 2236.45 4040.88 2306.66 2968.6 724.76 363.44 2122.3 1136.34 52243.31 35232.87 9354.55 12448.37 93891.29 84637.99 8507.91 16407.17 17321.71 246056.03 9850.14 68030.13 14841.6 27530.38 7320.79 23873.62 4369.58 4178.79 1390.34 3040.07 974.18 804.6 10957.66 7684.95 30060.84 34750.54 116661.73 2707.35 7093.03 2692.89 6818.96 25454.62 513.09 38665.64 46206.15 34023.54 30178.9 29754.67 28606.98 29542.63 30076.68 25893.81 24816.61 30709.73 1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol 1800.13 5238.28 3029.93 2056.88 6345.74 1555.74 5813.94 8133.95 4295.28 4246.72 3745.9 2277.31 1341.5 1203.85 8386.57 2295.13 16648.42 9406.7 14114.05 17957.52 4515.93 741.32 1373.38 1710.96 4535.2 4628.55 3680.44 4117.81 8992.1 3603.32 9159.74 3964.47 9621.15 1822.85 6001.38 5007.92 11731.09 8520.4 3720.01 2919.35 5700.07 2522.8 3363.06 1327.9 5620.86 977.78 7797.92 3049.11 745.43 11079.8 762.43 1829.55 1383.06 1697.31 5199.74 11601.32 3440.79 3496.76 10305.68 6887.89 3733.4 2230.42 4216.66 8482.11 11989.24 2762.25 3939.08 4643.55 5375.67 9044.5 9249.15 1030.11 7088.11 4377.44 2619.21 7298.86 7519.67 8051.15 9336.78 7059.67 7621.85 7534.27 7912.77 7861.67 Digitogenin 17476.85 15086.73 17045.9 18779.61 46439.65 37723.94 12505.44 54632.8 11052.52 10815.12 16878.15 34209.41 25829.49 24874.05 25718.6 40499.6 16240.9 25385.38 40622.63 15463.51 35942.02 28156.62 14433.37 6850.74 20236.77 10665.1 5548.37 26776.06 13378.87 26018.72 15460 24390.7 13589.64 18815.86 7804.52 30347.57 24738.41 8852.32 17346.84 12188.94 16279.76 38633.59 16584.9 20051.38 33636.23 14440.64 44197.8 19056.9 32351.54 46036.82 20255.48 17243.81 20381.51 12925.62 42212.92 18370.8 13471.24 7828.53 25796.18 20075.32 49131.73 35252.17 31628.39 13779.38 11978.3 30719.43 22262.84 16678.92 22763.75 37472.61 17587.59 25536.51 18857.48 18733.18 17859.96 24463.35 26606.02 21339.76 24486.27 24463.27 24503.56 24493.18 25281.09 25731.34 Tricrozarin A 8782.27 7941.73 8989.2 5919.94 5382.56 7524.46 8136.57 5380.89 7985.6 8519.55 12313.87 5960.86 6758.88 6703.88 9413.59 9495.84 10856.69 9510.65 11678.39 6276.67 8936.61 7450.01 6137.02 9357.57 10532.28 12352.97 5851.68 8534.03 7629.75 8176.22 10018.35 6544.92 10347.7 4769.69 8349.21 10512.51 14676.91 9139.45 6352.35 8226.77 8975.01 9334.52 9400.1 10136.27 5685.19 10098.54 8376.27 11856.3 8696.82 9328.54 6530.43 10379.94 7337.94 6898.53 7716.58 8871.83 13670.49 12695.76 9130.74 12007 7457.3 8208.77 11290.26 11731.45 10305.58 8928.01 8370.55 10078.45 9986.61 9736.66 10284.18 9606.58 12489.87 12074.3 11623.93 10073.84 9869.24 10120.75 9665.81 10366.56 10119.92 10111.04 9711.31 8669.92 Talaromycin A 364.46 558.64 1113.78 695.77 791.57 328.07 891.19 1015.18 1025.77 1257.65 2053.58 268.24 1260.92 935.38 1024.49 671.52 611.61 340.11 427.88 867.75 463.49 725.89 376.91 563.11 269.36 442.43 486.5 274.83 560.18 713.97 335.4 377.97 348.15 384.16 423.62 261.83 443.21 4089 1532.85 539.15 507.84 316.34 746.57 474.57 292.71 1386.28 809.85 421.04 621.6 428.02 423.25 1261.14 1215.36 2420.69 706.96 1126.38 757.69 1562.58 626.42 547.02 709.18 761.08 642.79 867.17 1749.43 446.57 267.33 642.81 1294.1 280.4 273.56 1005.06 829.68 2058.02 623.6 1200.91 1622.45 1350.14 935.53 1281.06 1199.23 1342.77 1671.55 1194.82 Isatidine 11330.29 4272.55 1270.14 2317.38 14774.61 5383.44 8173.06 21049.3 21043.01 6908.16 6982.79 5940.29 4166.05 793.87 22612.6 4073.47 1152.48 13413.75 3507.24 24876.78 10193.81 1124.08 669.74 661.83 9031.4 8644.55 3264.57 1173.48 1272.99 3348.57 654.42 5222.71 6859.67 2769.59 1264.94 6775.55 11370.42 1476.59 3469.2 2349.88 7545.2 13221.02 3226.09 918.99 15158.64 6856.23 6652.57 3887.21 451.99 7436.04 4218.84 11767.84 4597.57 5296.04 11056.78 5660.26 1742.62 673.67 17617.53 1220.06 3692.62 1325.96 7655.37 1309.73 2344.07 15755.86 22573.56 3724.05 2842.51 19133.93 17611.86 11268.24 6685.59 809 2248.44 8609.96 8565.07 8570.09 8096.19 5344.37 8562.56 8058.67 8260.47 8188.82 4',6-Dihydroxy-5,7-dimethoxyflavanone 52686.87 2640.25 3474.72 5421.29 72547.48 10843.55 10143.5 103272.11 3318.5 1469.16 1619.3 77794.85 4983.27 17524.16 1268.56 8714.68 2627.92 77374.73 13287.45 2421.3 37314.72 5302.32 4927.07 4080.93 97012.05 1968.65 3079.24 38530.2 81562.27 93025.6 130409.07 19760.59 14524.27 3896.11 285.57 107335.07 27216.27 1471.84 1966.62 6177.92 171188.26 94143.49 412.12 4310.35 89228.54 6876.22 61057.79 5600.03 30658.56 30902.7 51436.67 1184.75 600.25 2595.31 56277.02 10134.31 3523.6 3384.09 18561.81 5880.17 1405.58 5655.32 2857.14 8915.88 16741.53 40757.26 3015.46 55966.63 44952.8 44731.52 1361.62 7505.07 35884.65 1273.98 2098.02 27402.42 27750.48 28597.79 27700.87 28842.11 28843.67 28192.57 27334.73 27588.31 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one 5235.86 5709.65 4290.33 7152.63 6723.37 1583.38 6038.19 14949.11 17392.47 14118.35 2481.48 7944.1 5305.9 3013.97 18501.89 4959.03 4640.64 15526.61 8850.09 13628.91 1636.21 1967.18 585.94 3606.07 11094.85 5769.43 2899.96 2243.1 4701.8 895.05 2192.21 2077.86 4908.83 1720.54 2877.81 5812.94 5399.26 1107.65 1566.74 4541.12 2110.88 3333.36 9523.55 2526.91 5753.82 4546.11 3169.06 3709.54 3237.72 3699.95 5216.53 8736.55 6034.95 9806.79 8339.22 4149.46 3150.08 5549.51 7658.51 3350.43 8111.97 1889.25 13349.99 13405.43 11991.14 18806.45 1952.37 2972.27 3639.33 13269.74 9890.7 3228.64 4089.52 15464.06 7183.68 6583.84 6224.25 6412.51 6223.7 6350.46 6411.11 6357.74 6290.27 6427.11 Cercosporin 3888.84 6586.08 1739.25 969.71 4483.46 773.22 1736.35 4218.06 15416.17 5568.55 3388.95 1515.81 592.63 5810.89 3229.31 7230.18 1299.25 3209.21 1956.86 2244.69 2279.93 7020.73 1034.65 1098.91 3955.16 5080.53 2955.84 1273.15 734.07 467.79 2134.58 1674.85 3197.51 568.04 686.03 3124.19 4236.68 1333.91 1891.89 6393.86 1849.06 4335.62 1399.84 2599.37 6457.13 1070.51 3586.81 1234.83 1724.2 6348.71 2580.27 4581.84 1392.65 2898.11 7147.17 5391.41 1955.85 4960.07 1282.71 2388.29 2619.62 1428.49 7665.58 6593.04 9137.42 3148.34 9656.46 6415.14 5936.82 11405.07 6080.55 8314.96 7359.63 6142.72 5802.78 43568.34 37799.7 45880.28 52873.14 28654.78 32867.81 45433.81 36054.47 41131.64 53196.44 36984.09 40632.53 36255.01 34972.73 41687.26 32400.85 37135.23 40010.7 40783.0 38447.15 40632.1 45238.63 44655.73 48407.87 51835.32 3885.33 4119.11 3790.72 3414.21 3439.52 3577.75 3854.03 3438.21 3814.67 Farnesyl acetate 19333.15 32989.27 41907.44 16196.58 4687.42 10661.43 7045.13 21939.38 20011.63 29285.12 25495.36 27259.23 15403.32 27723.55 20791.78 15920.59 20933.88 21958.04 5747.79 18694.33 33691.35 49438.53 50829.33 55697.26 46259.27 53927.65 53480.99 52449.27 27189.95 46304.73 42588.72 25919.9 45559.93 54091.87 76537.69 40466.03 48383.51 76613.23 61041.09 67102.72 18483.41 26970.88 45303.25 37242.51 21072.05 20342.31 22481.5 30710.96 38355.14 16756.49 30261.24 33242.16 40781.79 34666.07 23531.62 37474.23 44802.99 82372.16 32991.9 30283.68 37409.3 32177.86 31310.95 31782.01 32030.83 21656.43 22773.75 31190.48 33648.32 21680.24 23468.28 24286.43 25027.89 23767.48 23200.51 20931.91 20895.91 20210.92 20895.16 20872.92 20542.36 20569.99 21105.46 20785.93 Euglobal VII 25767.98 76173.8 48973.97 20466.01 30148.43 54440.12 92258.76 38574.88 59234.31 54853.47 48049.35 62907.31 71825.61 96399.99 44278.93 66345.22 62557.51 35520.34 110056.99 33018.79 31061.23 19963.51 7895.76 20702.52 17192.66 20829.68 20834.6 12426.32 23850.75 20488.89 39036.19 25584.38 9922.41 13152.99 18870.83 13687.03 21180.3 42991.38 11361.84 27709.11 44439.28 42330.02 56701.2 42762.41 64158.9 99192.53 60042.85 69367.38 15709.12 67967.99 83416.92 41850.85 30372.22 50467.17 33272.15 50453.25 40034.6 25534.69 23938.4 49047.36 28527.56 46884.93 33475.25 50508.87 38910.46 35502.63 85758.6 53565.97 71676.73 51077.43 67386.93 36472.69 34683.5 51714.77 46384.32 51432.6 48855.79 49710.98 50202.59 51254.23 52193.41 51005.23 50239.89 50686.64 3,6-Dimethylmangostin 5835.99 11024.85 625.8 8345.9 9714.4 5166.29 722.14 6549.3 8065.82 4272.36 1945.08 7639.45 2819.68 8056.72 4877.29 2497.32 4142.08 2854.86 31447.91 4235.72 3057.33 565.27 3029.43 3643.63 1088.66 980.66 1819.07 1485.61 7297.15 914.61 1547.46 1792.5 4623.8 1340.24 665.36 1329.07 1344.72 2079.35 2835.98 1374.01 9195.02 6475.41 813.19 2583.16 8055.53 2096.75 5167.71 2978.26 678.03 2064.7 1927.42 2809.33 1099.03 1921.32 3851.4 4222.41 2043.11 3300.54 1758.11 3048.33 905.37 3171.28 9928.63 741.97 1284.07 3897.38 2425.55 1347.89 2940.46 4542.64 2987.32 4778.74 964.47 2441.47 1956.61 3125.96 3233.81 2800.16 3133.3 3243.98 3140.23 3609.54 3198.22 3169.39 Thiothixene 7299.57 3565.73 2105.77 2032.15 836.66 8709.75 3314.78 21823.85 5321.79 854.04 496.04 5108.27 4612.07 4933.73 17600.6 3300.76 2795.63 5705.41 7252.09 8012.34 14612.24 607.31 2189.07 1236.72 16132.91 597.61 1507.4 1396.06 65716.26 33002.09 4561.71 1021.54 4716.83 746.38 2151.02 3904.71 12662.34 416.93 1904.03 1069.14 3422.32 1848.9 1969.13 2002.51 8863.34 3219.99 9033.44 5460.34 1344.29 5476.55 2121.83 2503.39 2799.87 1947.48 4302.21 5809.14 3030.45 3538.31 11531.21 4879.2 419.2 1776.34 4616.49 3181 579.13 4799.48 7615.88 2600.52 1906.03 5638.64 17599.35 987.8 8203.27 4275.24 2337.95 4808.31 5091.33 5300.92 4825.09 4430.75 5093.37 4743.34 5228.73 4564.4 D-Ribitol-5-phosphate 3985.89 9627.46 3323.96 2580.02 4511.56 2106.33 4816.61 6093.35 16281.74 3918.07 21309.94 4882.77 6999.19 3714.46 9490.09 7191.02 27431.28 15405.93 2884.1 12379.76 56477.77 4155.66 5094.65 7383.46 12800.14 57102.52 17436.1 7333.4 4845.38 7513.86 30058.79 3801.39 35531.32 3686.07 27154.54 7830.57 43046.99 37256.42 3279.21 56946.24 1039.31 573.02 13398.03 5968.26 3873.65 12337.16 14419.32 9124.43 10216.35 4676.47 2698.52 6693.35 14032.84 2168.67 7512.96 2830.83 7163.32 65690.46 17971.56 24990.99 3904.7 4357.94 13593.29 48476.26 84758.93 4986.81 27552.89 2733.99 5157.53 19791.09 21926.12 4796.95 69213.84 31210.95 4366.89 6811.28 6940.71 7083.63 6201.4 7090.2 6956.61 7087.82 8147.22 6961.57 Citraconic Acid 5526.86 7646.63 12138.84 39879.92 822.19 5817.37 19933.13 1905.91 7288.18 2132.64 8468.56 10753.77 15914.82 14580.71 6982.52 15399.63 18466.05 1693.67 1206.36 1426.6 4089.05 3319.58 3867.16 8435.96 545.15 949.5 2278.38 4301.67 422.47 3597.47 744.82 805.23 407.5 6945.41 3462.12 516.43 2157.9 1504.95 11223.85 889.22 1278.27 3329.56 7075.18 33844.7 3146.64 19199.8 1325.58 820.53 1064.47 6103.22 1343.25 10727.09 1599.6 6297.49 12721.24 13941.25 36605.44 10507.72 1867.91 4614.74 28690.24 12235.14 15601.89 6844.04 2940.04 13844.02 13780.17 13398.38 15140.04 6077.04 8496.81 7007.74 6983.39 10929.92 31900.19 25538.93 25361.65 38087.98 39413.9 16702.95 19692.68 41199.73 19888.83 60948.21 28548.58 18209.1 21965.08 19148.91 16445.44 17801.59 53185.06 18151.51 31811.59 30725.66 30261.91 45793.03 31734.76 65222.24 24433.7 49264.3 10271.39 10439.69 10281.05 10347.18 10438.55 10507.73 10281.85 9811.35 10532.26 (3S,8S,9R,10R,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one 1155.92 817.68 2423.77 1323.74 2052.66 2010.01 636.9 2592.2 3270.72 5776.75 2233.5 2720.21 2375 5469.63 5207.82 2394.04 845.2 2459.28 1653.97 2573.09 773.7 4669.88 2628.55 5866.54 3466.91 5500.73 2452.91 1977.67 4145.47 4505.02 4288.13 3974.29 4991.5 1391.5 5332.59 2648.53 3030.2 5285.8 5905.66 4973.29 1052.05 3355.81 5564.6 2805.84 5333.89 5451.76 2843 3644.47 4793.74 1654.35 656.13 1011.96 4642.72 2808.54 3748.65 3579.73 3543.4 1734.21 4326.66 3569.36 3597.45 663.7 2678.1 2875 1488.57 2245.24 4448.9 702.4 2648.74 922.17 1614.69 4521.77 4471.48 1310.96 1514.51 3184.51 3380.92 2027.4 3161.48 3188.74 3249.26 3468.42 3155.05 3707.39 ganoderic acid S 35363.55 30119.87 28659.34 58459.29 2031.95 19496.29 18072.88 7509.86 14188.29 19173.35 37505.78 24889.31 19417.43 33781.52 16839.45 16781.4 24426.49 17658.62 51698.37 9810.1 23585.28 15831.98 28220.51 33712.9 44164.35 21411.09 24423.77 57035.28 24141.67 33605.55 17165.11 29896.94 13875.02 43837.1 27570 23440.63 23808.62 7044.04 34853.32 29650.22 10355.15 12316.79 35979.65 28609.26 18260.65 26694.41 6155.09 36060.28 48953.73 30889.16 17395.6 18613.65 36613.5 32025.56 17076.34 15761.44 17775.26 22822.21 14601.54 11538.26 34525.57 28878.88 12515.26 39734.86 23175.46 20857.4 23429.83 35292.55 21559.97 20561.92 14635.93 41245.96 23737.96 21162.66 25652.33 20185.24 16505.65 16548.47 17503.75 16458.79 15136.96 17449.7 17391.26 16142.02 N-Methyl-4-dimethylallyltryptophan 29153.74 47193.57 63131.16 93250.59 54116.38 60991.03 59541.88 39983.38 17768.21 56209.41 57601.35 19242.23 87760.7 47039.43 52242.1 105992.18 87585.55 48045.49 151582.81 46179.06 34530.32 8521.4 64995.26 12498.23 11875.54 29348.37 21775.02 11637.3 41629.93 33574.19 29075.57 51030.96 12035.73 36421.07 45303.37 9606.83 17014.67 11483.46 37493.63 8035.67 21902.34 9186.96 64543.98 55461.28 44272.58 76749.45 36381.8 85935.34 42960.73 71786.45 12871.61 42568.91 88508.52 85208.03 33954.18 47858.49 44593.87 73642.98 53954.36 90195.43 56799.81 59757.34 49661.25 102086.52 89486.53 28869.34 46191.09 52741.87 42449.42 41659.83 28679.96 49144.6 46283.12 112905.2 52863.95 62746.99 62963.04 59840.29 63032.36 62957.59 62954.59 62347.81 62331.99 62353.39 16alpha-Bromo-17beta-estradiol 32455.89 25177.7 44049.9 34498.14 13813.26 8766.06 17278.89 10699.65 10206.31 21745.62 21271.77 13758.58 14828.71 39169.17 10502.19 21480.59 22625.78 13034.27 13306.2 6873.92 26159.9 18659.34 39408.65 29034.17 31532.88 11415.91 27080.78 19452.32 20395.66 15840.27 33649.22 5469.35 29049.63 35961.53 39703.82 25038.73 36985.34 9429.26 34844.91 40029.2 12693.02 2108.62 25897.21 29668.85 16032.55 25111.97 23845.65 23779.39 17347.47 7622.84 18937.67 28545.86 27540.22 24401.01 39691.03 22171.44 38977.24 41269.61 13142.63 3172.37 30101.32 44648.07 22732.68 28317.92 13909.94 28753.65 9654.54 20399.78 31461.03 14449.4 13193.31 19021.99 25926.65 31938.98 36320.33 14529.94 14686.23 15337.57 14536.62 15381.73 15486.6 15291.49 16029.83 15349.09 Calafatimine 213498.62 211973.34 359578.1 6025.23 87111.31 222491.62 61296.04 318896.27 274260.5 440677.57 749781.52 668869.03 254142.38 523028.59 322271.49 424593.71 258920.71 299043.79 1036264.37 374073.12 256339.74 204576.36 533480.61 469579.38 198626.71 183930.84 176603.34 452616.86 238893.38 449041.89 201110.39 581991.62 171707.05 357862.55 321742.1 168020.78 240479.94 70506.76 548402.91 239085.79 199071.38 287068.98 692687.74 530772.92 328332.52 219172.79 317841.87 665329.13 425906.93 596628.72 179082.38 257870.6 609940.3 207279.63 176207.89 238176.12 227533.2 374670.38 296703.67 48879.94 570544.54 509304.48 256975.91 791681.56 642948.92 206383.53 336667.4 581187.13 568800.4 268892.26 232569.88 603564.3 692694.86 455530.62 352936.05 390292.92 389667.52 392445.98 392429.54 390520.74 392415.3 394426.18 382371.33 391684.28 Oxidized-adrenal-ferredoxin 2545.63 5517.47 1219.16 2461.49 8993.87 6998.98 5454.77 7772.65 8978.87 4279.04 5096.84 8607.07 1733.2 2251.84 4324.96 4024.34 1922.64 10176.73 4128.28 1904 935.13 1471.67 1365.08 944.16 3832.85 2294.93 1131.28 693.25 3895.96 1588.49 545.39 3826.13 1889.6 1609.94 750.12 4189.08 2583.99 421.54 2657.8 974.39 1279.17 6498.77 1706.72 1891.76 5644.78 5330.34 5599.72 5363.32 2264.51 5144.79 3879.21 3899.38 2778.62 2463.58 2070.86 2782.9 695.76 1836.56 6777.29 2698.73 2652.53 3567.8 3368.25 2302.72 2766.91 5478.01 2465.12 1665.76 3215.62 7550.27 388.07 3581.41 1849.64 3052.26 3167.64 5296.73 5401.01 5912.69 5462.83 5524.73 4374.06 5262.08 5487 5490.02 Mahanimbinine 1538.84 788.14 819.68 10199.11 9470.04 4045.53 6819.31 1268.25 1726.56 1700.68 2616.37 3004.15 7468.6 3091.92 884.97 3876.34 2833.32 851.89 2884.32 1120.16 428.29 1266.77 1241.23 1015.89 839.91 1197.47 1343.06 1780.74 2215.49 1440.13 675.22 2010.89 455.17 2226.31 884.19 754.42 1966.79 940.44 2113.46 1053.03 6375.11 907.18 2115 1970.58 1419.75 10974.91 1360.32 944.17 1588.07 1967.95 2732.32 2013.4 1662.15 3360.79 6362.58 1351.53 787.67 831.96 1355.61 2433.11 1032.05 3227.59 1374.78 2628.83 2426.78 1795.21 1172.21 2736.08 2440.09 1117.09 663.23 1798.11 2427.68 3729.71 4258.96 4047.47 4288 3804.88 3829.18 4071.21 2486.16 3780.23 4095.12 3781.63 b-Citraurinene 250184.04 288480.89 475509.79 169562.73 107923.52 115725.1 386133.11 301703.29 254794.42 521362.6 368999.94 322346.91 180786.95 193724.07 188629.3 257339.57 285746.24 504891.75 164661.52 215229.02 331021.72 445758.5 194081.83 204413.95 224108.68 215344.85 409824.5 240743.56 171382.14 179592.69 495628.65 242208.82 222339.29 481388.51 281816.94 235840.74 265259.5 696306.01 182150.54 608394.41 316867.05 872103.3 153117.17 293096.61 196168.37 190636.57 164566.7 238954.92 388468 293033.45 385738.11 122065.36 381559.22 248235.58 134537.26 241428.49 304855.34 317628.2 290557.11 449325.64 488115.29 416554.38 386672.85 243596.91 347386.55 392343.66 212638.01 573998.46 296216.02 336136.67 324441.18 579886.3 317849.06 323127.24 288538.62 818269.15 774531.47 628523.09 687675.94 639651.69 630603.83 603389.68 513887.1 595333.54 641323.42 714887.46 640709.83 645277.88 709964.74 812588.7 71487.77 219580.67 765718.48 730041.23 693034.7 707342.21 581270.74 596867.02 576479.85 451998.78 347425.79 339323.65 341965.34 339980.97 338451.3 343161.67 340755.62 341430.14 339321.08 Citranaxanthin 67959.25 68838.05 47619.03 73949.15 24882.15 30828.8 30077.57 56487.02 57895.87 82243.05 79850.74 54880.77 14540.48 88439.44 59654.19 35867.96 55436.94 61931.52 53172.07 60270.75 75935.34 77604.54 80925.14 83308.86 7686.48 70739.6 5622.57 7483.56 54946.51 79153.47 54653.59 54500.33 14363.48 61333.17 76778.82 67160.61 80486.63 40559.77 119049.87 75023.91 59465.52 50085.56 96995.1 99193.56 77254.99 69229.66 64848.05 67671.2 58153.9 46514.56 65383.76 91437.7 91829.67 63580.74 72944.05 77794.64 66446.75 100679.62 85694.24 91941.14 96518.54 101224.23 67243.4 71321.75 80418.57 11225.76 71386.11 78333.7 92922.66 63503.55 71109.06 70436.06 75527.77 58135.26 64518.84 2429.88 2680.95 2224.66 2592.33 1957.91 3082.92 1996.13 1844.11 1930.77 1711.87 1187.35 1894.69 1773.74 1371.0 1260.52 1380.13 1459.25 1436.57 2435.41 1744.66 2065.59 1636.85 1533.31 2181.51 1363.12 63146.76 63000.39 63146.97 63022.08 62735.66 62744.08 63158.07 61770.81 62744.1 Dihydropteroate 5574.19 8236.06 518.48 5517.3 6324.69 6798.85 1636.32 3843.76 7540.43 11064.05 11830.06 12362.45 7519.79 11688.01 15050.52 11516.87 7574.98 33542.73 17232.29 52580.65 3213.21 1750.18 2102.62 1533 2156.81 3573.74 5413.67 1569.45 11603.74 3702.51 13872.77 30914.51 2378.37 2453.82 286.97 17934.1 2046.6 1749.9 6786.68 1209.92 3516.71 17518.27 1615.72 1297.8 26218.32 12017.88 5213.76 1479.38 4354.76 46841.42 5954.61 7040 4269.59 4892.96 8648.45 5741.33 455.82 2483.71 3965.06 2751.04 1867.8 1836.47 2474.98 3587.53 5531.36 4302.64 27773.15 4501.23 5257.02 3583.14 2913.96 3352.44 2775.38 8789.17 7090.07 11003.19 12207.99 11638.01 11591.15 11516.56 11123.41 11036.53 11020.87 11261.44 Gancaonin Q 28127.04 25715.18 2642.07 22852.14 31997.62 26312.06 8448.98 11330.26 8799.49 16924.02 6063.98 11916.58 6178.92 47708.2 14226.57 18667.31 15118.51 51836.79 21038.06 55794.09 8629.8 3795.54 2859.94 17977.08 6521.47 2604.79 3544.04 5367.13 19428.48 5303.41 21511.86 24224.88 6383.04 6446.63 4177.45 5919.39 6289.6 4094.26 2604.12 3697.63 3658.73 14590.07 3870.69 4167.79 104612.92 10585.42 25091.73 10596.21 5832.68 36646.36 9183.23 5354.83 970.62 4409.7 19103.26 14309.11 2350.93 6020.04 6784.63 2628.11 4522.44 3683.7 20577.69 3855.42 6388.76 14027.53 28009.81 3149.71 17976.14 10456.92 4066.19 21802.46 2234.53 11075.64 5275.13 6727.58 7025.92 5996.3 7314.3 9191.73 6397.96 6861.76 7395.4 6896.37 Rubrophen 1271.73 5603.99 3464.35 4871.52 6226.57 14152.3 4029.23 2520.51 6053.46 5162.98 6150.76 1008.77 4369.17 5825.07 14410.55 6413.59 6288.43 11171.75 1758.97 8163.85 2903.72 5428.54 1604.29 577.17 4123.78 1646.6 1636.2 544.1 4449.17 2444.04 1372.54 3918.33 1112.79 873.92 3897.89 1728.29 1180.4 1501.25 5402.58 3393.49 5151.17 4524.52 2534.71 5117.79 4647.09 9490.1 6686.06 4808.23 1464.48 7750.42 1123.78 7682.59 3020.01 5837.55 2930.98 3813.05 2179.12 5988.3 8709.6 4359.26 1960.26 4121.25 6237.72 8181.1 7365.13 3594.4 13085.52 1422.66 3825.92 7277.5 7297.3 1146.03 6086.08 6766.49 5783.87 2454.09 5952.83 5888.77 5525.31 5891.22 5480.96 5915.72 5895.49 5960.45 Toremifene 49520.88 6322.33 4710.37 429.85 33347.36 2435.98 25877.7 31122.58 63821.18 6245.69 9164.53 52568 28740.87 14707.82 52130.41 34967.2 6676.25 34800.79 27532.45 18649.36 23006.69 12809.23 14658.82 966.64 51880.64 23737.7 5977.24 4103.19 43527.74 23713.06 30334.92 33132.66 7427.91 13959.85 7471.88 16633.27 24475.25 997.24 5010.98 13234.76 85034.56 75699.16 3058.88 9700.25 26686.81 21625.46 9366.8 24948.84 11136.64 47262.48 65903.83 9523.59 2887.06 19455.65 57905.14 1035.61 4292.44 5707.75 40083.73 519.73 16451.87 404.19 9397.56 15401.57 9756.49 54228.25 19280.16 10829.5 8628.42 42551.02 35858.22 29450.7 12320.52 3769.79 11135.78 26253.88 26235.62 26019.19 25822.7 27296.59 25951.52 25784.96 24491.15 26041.16 Protriptyline 14003.39 8887.9 1657.39 5540.45 18881.73 3813.42 4333.06 11342.09 9958.6 10808.06 10940.01 9285.67 9066.16 13006.57 9439.53 4811.72 4613.87 6481.42 8502.24 9501.72 3044.74 8180.54 4562.37 5876.85 11522.5 9863.6 6506.47 7556.79 9167.5 1342.36 4847 6809.43 6052.01 4691.34 5920.27 13919.44 8700.16 3406.99 5599.22 2655.94 4102.06 16723.2 4490.41 17986.9 6077.61 22180.18 11820.33 7971.48 8950.7 3772.74 12066.09 3279.6 1753.42 5103.58 8640.46 7720.91 1545.47 1959.82 9500.95 4975.08 2179.82 8238.07 6639.39 2752.03 2623.63 8671.71 4290.94 7874.41 6379.84 9652.25 9378.51 7693.23 4723.29 4854.32 8433.82 7046.42 6839.23 6831.09 6645.68 7709.37 6297.62 6838.53 7088.34 7087.98 Polyethylene, oxidized 9181.96 4815.65 5157.5 9763.67 5131.05 17793.9 3676.65 8398.18 8564.09 8980.55 25990.2 32064.36 21354.41 19014.5 10904.98 23823.1 12040.57 9834.49 7264.71 10320.76 9540.18 902.1 11834.86 10046.09 4821.68 3704.82 7717.32 10159.52 6984.58 9725.98 5968.45 20908.21 4909.4 11649.45 9697.36 8306.19 4193.52 1214.65 16214.18 6035.51 15449.42 16460.58 8349.94 16267.83 14915.16 10137.91 4086.15 18368.33 14473.45 27617.26 3919.45 10401.97 15630.92 17485.17 7024.23 6023.58 3546.59 5069.91 7427.59 3280.3 14141.3 16871.83 2906.66 14132.23 14190.77 4274.41 7208.84 18324.25 20474.26 4928.55 7480.2 20764.15 17972.27 5617.12 10392.79 12795.46 12793.73 12353.66 12633.87 12684.72 12295.58 12791.74 12821.82 10997.74 Ridaforolimus 2130.74 2143.18 2215.01 1699.42 7884.22 1430.46 2700.78 8430.63 13465.99 3430.91 2345.1 4922.06 984.14 3402.14 11125.71 3522.66 2772.15 28349.47 6888.67 38130.15 6183.01 1258.81 315.94 831.61 1604.76 2762.65 1237.55 569.86 5992.49 3982.08 8725.32 4876.61 693.25 3478.03 2073.2 2851.39 2450.62 699.65 641.09 1537.84 31840.87 13193.5 2757.15 3664.61 22750.68 1868.32 10818.09 1426.68 363.51 10572.81 376.93 2639.09 997.39 2048.99 4851.57 2898.66 377.14 3140.81 5256.16 1958.29 1149.39 240.61 3611.04 3311.85 4593.8 6286.51 9713.22 2516.83 9523.53 4037.79 2968.05 11784.3 4121.38 4824.04 2725.58 18539.71 31912.65 12925.12 23182.5 19428.69 26303.97 18882.21 19146.1 11762.4 17723.14 32155.57 27358.18 24399.32 27722.39 30352.63 14385.27 20549.27 25008.85 19263.82 24805.23 20305.94 20853.77 20513.97 20496.11 15704.57 7137.41 7141.66 7149.52 7105.19 6963.58 7128.42 6959.35 7136.98 6943.95 Nevskin 2487.38 5409.26 2768.15 6931.43 68317.53 77320.17 18371.46 15074.13 95705.39 11021.98 8440.86 25041.77 9246.66 8755 129797.9 394.5 413.01 39413.57 819.97 49879.2 21251.41 2319.46 3900.85 5698.47 4174.94 22858.03 3540.79 2957.71 17954.67 464.74 9679.18 1909.96 9325.33 3733.02 3849.85 4772.94 2472.6 1660.67 3500.85 3794.64 23003.52 20627.25 5805.87 9635.77 13780.18 12640.32 7336.12 28127.34 7544.59 13611.07 3145.44 6842.32 5767.43 6709.72 4087.97 4606.5 4136.1 5485.63 7031.98 1599.76 5461.04 4659.67 12097.51 8297.01 9573.46 17616.05 68481.59 7492.33 12312.23 16721.93 26123.04 15563.83 9712.67 9492.81 388.99 11744.68 12414.88 10453.18 12416.75 12387.83 12381.05 11780.09 11641.91 11888.31 10-Formyltetrahydrofolic acid 719.33 5484.96 3431.98 4092.58 1469.04 973.44 4261.6 1515.82 577.1 1331.48 2187.12 552.56 2285.78 2255.43 797.07 613.02 3420.91 489.64 614.38 636.56 1837.26 913.97 1435.74 510.49 1077.75 744.58 401.01 487.08 565.22 1231.28 590.92 1994.08 964.48 1457.11 1446.7 658.74 3651.4 749.11 4048.83 2356.06 911.5 881.61 4476.18 1728.57 1550.1 8761.13 2153.57 1723.62 615.36 816.83 1283.12 2104.1 2732.19 3707.01 3274.15 1969.7 4058.86 3292.62 2651.91 1339.37 1097.48 2931.29 5618.82 7082.47 495.63 4134.33 1574.53 676.93 1601.53 1756.48 1667.92 2168.22 9280.36 3056.69 6230.94 2253.67 2211.69 1857.59 2610.71 2020.9 1882.62 2134.85 1816.39 2242.49 Aralionine A 828.73 1818.62 903.18 1384.69 998.54 803.43 707.74 381.68 1372.43 1608.22 362.28 1214.46 1718.34 1597.14 1185.02 1539.18 1977.41 809.1 1171.25 587.45 3669.22 1183.96 9181.73 2863.5 1906.09 847.7 3822.86 1277.57 1855.59 1993.62 541.82 1228.39 918.86 2092.21 3355.64 3512.17 952.76 1294.31 5559.98 898.89 1994.68 1242.07 951.59 436.97 1120.17 591.07 849.74 1614.76 3768.79 686.71 3840.94 1596.85 2037.33 1587.69 2674.4 1550.22 1233.67 2914.02 1185.63 1971.68 3740 5482.34 1738.26 808.57 1110.43 1071.6 818.53 743.74 509.83 910.58 1183.15 735.41 979.95 1397.58 794.24 1864.45 2099.84 1992.58 1110.55 1658.47 1948.67 1580.28 1924.85 1919.28 Methylisoeugenol 2229.58 893.3 1237.88 1055.23 605.04 1432.05 845.68 2867.51 2768.63 1637.98 2899.73 621.44 1510.1 874.06 4348.55 1160.2 1165.25 2092.37 1710.02 3955.85 2828.36 1479.13 1123.85 616.92 1094.54 439.47 1453.72 545.8 4103.6 7070.49 2346.76 894.12 1658.14 1099.32 557.54 3115.14 874.89 2457.72 628.93 1237.74 466.78 1336.07 1742.49 454.1 1576.21 1343.86 5835.11 3509.21 3179.86 4536.69 2360.95 2090.97 715.28 516.85 1330.78 1933.3 1114.81 1060.74 1646.75 6324.85 978.75 3549.33 2315.07 2778.28 5424.48 1124.16 1747.76 3863.88 2725.54 2089.61 3232.09 556.83 6445.57 2924.1 2595.46 1684.49 1926.2 1968.21 1941.81 1935.27 2046.62 2035.89 1953.11 2162.86 Neodunol 25902.66 17474.02 2593.03 5136.03 3077.44 1233.67 892.57 16886.32 17185.95 4130.45 8649.66 9832.85 1895.04 8242.03 21492.04 12031.65 5132.18 18100.6 10900.4 3107.56 23944.44 5644.56 4950.15 8117.7 23302.8 14680.68 5122.66 6084.62 25779.58 20975.84 20603.41 12763.7 14475.64 711.16 5748.14 26215.16 30406.65 1120.93 2983.64 13731.8 12677.13 17799.57 11434.29 12430.06 5771.89 7951.78 26039.17 12429.61 17579.47 8875.38 12173.4 1759.24 5003.74 10382.38 21824.3 14410.35 842.06 3194.92 7765.21 6923.52 5195.04 4472.74 19436.97 12620.75 24984.14 17813.79 3708.82 12236.54 27617.56 17189.74 19329.25 11469.1 20691.3 8661.36 6010.14 12110.54 11263.45 10542.48 10541.6 11274.8 11331.33 7847.43 11424.23 10683.09 Staphidine 7169.18 3990.11 7698.99 6840.87 1398.09 2520.02 3224.01 5819.37 4994.04 5994.91 6588.24 5195.12 10846.49 7103.59 4591.05 3567.62 3698.26 4228.01 3254.47 2162.58 6302.17 5058.71 7861.18 6328.34 8627.83 3103.54 3601.29 6006.63 3394.95 1637.22 2400.49 2971.88 1908.59 8043.63 7335.98 2714.96 4987.11 709.9 5721.03 3929.96 3815.02 3319.28 7148.23 7769.66 3834.26 5865.89 4939.87 3049.54 5321.9 3949.65 6343.09 7847.51 4859.85 4628.16 8995.82 4650.29 3649.29 2950.38 4415.18 3305.3 4526.09 8576.95 3116.88 3927.82 1854.45 7123.14 3412.5 13154.91 4864.57 4060.95 5380.35 7589.82 4338.21 4892.42 7242.11 5998.22 4951.98 5696.83 6003.8 5684.83 5974.09 5670.98 5954.96 6024.26 Pronetalol 19934 35812.58 18560.81 32413.97 38707.18 33812.6 52450.36 27368.91 23048.1 30585.65 36136.51 33356.04 28727.29 23945.94 33428.12 35539.19 26617 26345.94 59069.33 17651.26 16553.3 20241.73 32487.62 23264.16 33241.69 17345.29 17353.45 21724.09 36198.16 7236.88 13738.16 25198.63 28314.31 24122.82 27983.23 17935.88 36139.38 8808.8 31385.07 17156.23 22147.94 24212.92 29061.39 23126.4 29163.42 28142.35 25338.08 28264.17 17621.42 48982.29 15284.81 23778.12 30389.09 46127.76 24182.44 27509.54 19212.5 20293.64 26872.45 20004.11 25348.34 20905.21 24759.05 48499.92 40382.95 26905.5 20337.01 40306.2 22638.34 36523.57 24039.01 36756.3 33382.13 47664.24 33841.83 34700.68 34040.89 36094.39 36188.27 35760.73 36080.86 40034.72 32915.29 34845.09 Thalidasine 899.81 562.45 500.85 7002.48 9982.37 7974.66 10569.61 2206.32 335.98 1531.94 1295.45 1257.95 6044.48 495.25 387.35 448.87 870.08 252.73 3401.53 765.6 860.07 2128.9 648.22 729.5 378.32 204.96 352.25 877.8 444.42 679.27 348.75 2008.47 530.59 495.5 199.14 1449.92 1222.62 466.75 317.28 316.9 4006.97 1671.88 896 1122.97 1366.32 13812.61 622.81 2070.1 539.1 828.84 959.31 859.07 962.33 769.06 4618.67 1246.34 295.04 855.29 675.21 1008.81 857.22 530.62 670.6 1472.99 1044.21 564.04 179.29 1780.96 2173.89 393.23 276.58 709.54 822.77 2469.95 2345.43 2890.45 2872.35 1843.44 3212.55 2772.47 3301.84 2698.48 2597.94 3141 6-Deoxohomodolichosterone 35745.75 29486.01 33716.5 57718.55 1107.66 15538.28 3265.08 27731.23 41874.74 62116.44 48683.28 43486.98 32720.49 44416.46 16974.79 41862.14 15670.24 24975.14 63765.92 55103.75 32705.43 16659.07 47294.77 48460.95 32108.65 41929.08 17524.95 46545.23 27090.62 51502.49 32727.65 25964.6 41428.6 41108.83 37872.1 24235.29 30794.34 19279.5 78118.98 55026.86 22954.22 26447.08 57370.66 44846.05 21274.03 23946.58 29198.45 52522.81 44474.04 36354.93 12646.37 28003.72 58307.43 45059.96 27567.18 28724.13 17497.33 28818.04 29904.22 5650.16 30082.92 20990.63 10868.7 50849.46 36221.31 24690.55 29711.92 49058.1 31638.85 21469.63 46084.2 45252.22 43416.3 34873.9 43518.89 27843.78 27901.73 28769.55 30159.88 27909.66 24562.31 28562.15 29021.89 27883.37 Crinamidine 24594.05 79533.34 26719.35 46025.3 31011.44 84594.14 16718.04 7905.17 21095.01 8297.59 3109.77 7241.13 10954.52 4423.46 68953.43 13725.13 27671.64 39186.21 110081.59 87682.98 14814.3 56357.17 45179.32 5341.55 8944.56 8127.91 2303.31 4532.64 32286.64 4826.28 5928.67 2139.42 33529.63 31269.58 28560.61 2290.03 15251.58 4494.07 1478.3 13795.46 23976.55 7318.05 81965.53 6177.58 15959.78 9260.8 135063.68 102223.86 25696.21 16890.59 1941.59 93062.76 68407.86 25102.13 23765.49 66816.41 23091.19 27044.17 38231.29 27384.67 3755.55 69083.59 54737.81 69175.51 74597.84 18946.66 91151.37 7884.88 8230.78 23065.59 54133.95 7926.01 31071.93 58846.14 15778.52 37912.54 37908.15 37565.55 37569.25 37897.07 38198.38 37720.61 35669.75 37826.03 Secoisotetrandrine 10410.2 10847.83 16048.77 132170.09 29292.65 20549.96 82152.85 10674.83 27351.21 35902.41 57861.4 61242.91 71878.2 35746.69 4788.13 91481.58 82341.39 21925.79 59837.86 13045.66 22896.71 15931.22 36770.27 29302.95 19736.37 4469.01 27264.86 30276.31 20707.05 44341.93 13103.9 39658.78 2918.96 32213.67 46156.77 13044.2 15950.39 4991.47 98711.06 22176.19 13862.57 19392.39 107658.53 36836.77 18424.1 79513.76 10347.64 44515.92 37749.96 153995.92 20817.42 13077.66 112382.59 183527.34 18575.79 2892.78 28551.62 13634.85 17561.65 9382.38 35137.2 53213.33 15437.69 44601.95 31913.42 35459.67 31852.68 118742.31 38112.73 21137.78 7851.5 35550.13 44131.71 49898.07 82887.6 46762.45 47025.85 46775.7 50801.42 46908.07 46824.34 46813.8 42770.39 47810.71 Nonaprenyl-4-hydroxybenzoate 10238.23 2939.71 2073.24 2949.29 2352.26 3894.27 4648.86 15661.97 18204.74 5565.67 2292.38 3937.46 8049.46 4430.44 7656.02 8340.95 2342.13 2178.24 10022.08 6499.21 9692.57 5506.54 5542.19 4586.44 3867.8 3752.01 2566.97 847.28 15048.98 1758.96 1384.03 3408 3108.41 2274.24 649.43 5419.79 3356.41 657.16 3746.09 2100.85 3224.78 16063.63 3522.3 3072.72 19207.38 5878.19 6169.36 5456.73 2659.48 5483.67 10447.58 4527.18 3584.92 2383.96 9745.68 3392.66 2545.9 2542.83 6627.51 719.03 2865.05 4099.87 8926.22 10404.32 6261.86 14817.34 14725.89 7275.94 3172.85 10300.77 8385.94 1772.3 2050.12 3408.85 3307.69 3483.91 1875.81 3817.49 3196.47 3341.42 3393.55 3501.42 3009.48 3487.19 Fentanyl 1165.22 836.77 1171.36 1993.61 601.24 2816.68 3492.91 1377.04 2057.42 2206.71 3063.28 695.46 954.07 479.79 2450.83 7106.25 3799.98 843.28 4805.87 2267.92 1025.39 817.42 1841.63 1387.23 972.38 845.06 1204.07 1247.86 1413.64 1424.09 459.99 1943.24 1037.79 1203.12 1895.18 888.26 416.14 378.49 2081.73 1272.25 430.62 2085.18 1925.75 1591.38 2733.03 1610.7 935.43 2161.05 1557.59 4915.82 937.69 1251.18 2354.61 1875.77 474.38 1365.27 1211.15 1112.16 1671.72 955.72 3780.82 3700.84 997.97 2583.38 2708.3 1578.72 892.23 835.31 924.92 1620.11 1390.57 1889.71 3860.31 4923.31 3478.47 2437.42 2084.48 2437.83 2407.67 2213.84 2391.83 2426.86 2449.09 2852.93 Win VI 1533.35 1733.07 1007.13 1417.34 1790.37 1607.28 3068.37 2777.74 3487.81 2665.24 2280.68 3103.61 1731.25 2747.5 2804.59 2541.92 1646.01 2537.08 2766.35 2459.77 1366.73 2987.75 1147.82 1655.14 2622.31 3198.73 756.34 1743.09 3208.7 2221.46 3449.04 1905.89 3264.89 602.95 556.53 902.35 2094.75 831.44 1377.91 802.49 3158.78 3445.25 1626.15 792.57 1846.97 1030.07 3541.22 810.79 1359.19 2872.27 1744.23 2350.09 1614.93 2010.3 936.12 2657.14 773.11 928.61 2043.08 2678.62 1359.04 1399.98 2042.6 1453.9 2955.1 2273.42 5658.36 1503.19 906.15 3175.86 1947.31 950.35 2292.94 1822.39 1809.52 1849.24 1895.06 1273.98 2036.05 2156.64 1924.51 2003.54 2006.12 2178.97 Sodium cyclamate 69853.84 65716.22 56826.55 65265.83 67434.56 66731.89 62903.45 68852.73 69029.08 64334.91 64429.43 88114.93 62913.99 71834.17 90974.14 68763.83 71173.31 71921.83 81708.03 93380.85 65249.48 64270.17 57084.95 60184.92 62799.45 63964.28 57610.38 58460.55 77248.87 60185.59 67703.48 68123.85 62929.03 60388.32 77356.76 63938.54 74491.34 53708.03 61082.22 58327.65 70974.88 68909.23 59998.23 61290.24 79545.04 64702.5 76718.45 62489.63 65370.99 69873.04 64830.48 66470.54 57451.55 59848.91 56224.3 67003.32 57162.88 80703.56 63139.07 65198.83 61231.13 63802.38 64385.88 63393.33 67818.54 66802.06 68158.67 59786.42 61076.41 63873.45 67848.91 69329.09 65789.99 62814.43 61408.87 62852.26 64526.85 64529.09 64542.75 64036.81 64536.1 65260.8 64296.88 64048.24 Nigakilactone I 186759.2 49597.2 147066.22 238384.09 444854.6 338801.85 451412.18 273976.66 207558.17 226674 406784.22 474802.3 74325.22 333608.02 226803.33 366451.94 156236.2 348569.13 452291.03 97616.26 106495.01 140573.16 101005.99 67194.79 35962.04 124976.01 47455.8 110307.1 160612.28 84518.99 19180.27 525802.76 98610.35 200746.67 71334.76 103361.93 73987.48 35457.44 121993.36 44414.73 394975.34 279096.25 168611.3 174502.33 509853.72 378986.86 296423.71 239635.84 202848.04 629574.57 247377.07 379515.26 146632.6 278164.02 239914.26 39764.16 64755.75 109002.37 158221.99 106616.41 6731.06 233597.51 140532.6 455136.71 207607.81 503571.58 430896.51 469677.47 196758.89 174762.85 224814.41 210864.93 163319.05 348310.35 680347.03 327919.52 326356.59 327327.02 359949.02 328584.42 325320.67 312690.3 298263.59 317194.37 heliocide H4 960.63 14456.47 1332.3 3889.72 6948.7 7309.16 1263.1 1988.04 1709.34 2079.19 2025.39 7412.41 4835.19 21485.48 25301.4 6369.67 6019.87 27630.07 16197.69 22893.34 1067.96 460.15 1726.51 1494.02 1912.76 722.04 1144.17 1629.8 5876.49 2580.34 11084.37 21396.89 1272.98 934.13 756.07 969.16 646.36 605.15 625 1177.73 56228.53 12524.74 403.12 490.83 3273.17 6047.79 4590.86 1086.05 1858.54 13939.82 620.64 5215.53 1681.94 803.33 4721.49 7723.2 386.62 479.71 695.56 3280.54 293.89 1582.79 2237.94 360.9 877.55 1627.68 56107.38 2649.17 1899.89 1220.18 1693.7 2317.67 1143.13 3878.84 2252.94 3885.94 3521.45 3176.73 3609.71 1681.47 3535.41 3200.78 3280.47 3228.26 HMBOA-Glc 8798.81 11879.21 5954.28 8799.9 8990.18 8361.34 11588.86 3600.5 8053.62 2881.18 11710.47 14092.55 11251.64 4642.6 16396.53 15564.73 10719.57 12060.15 3838.56 4560.54 3932.37 3892.03 2463.35 7656.79 822.01 991.87 1233.29 2802.38 5102.51 4402.06 1900.59 3282.5 2468.93 2390.71 6085.63 734.94 9758.17 798.34 7482.57 6336.63 16077.81 2356.47 9601.03 12900.44 8491.59 4926.33 14007 4366.51 1076.62 11768.38 2493.81 11135.78 6945.11 10580.16 8389.2 13826.24 14531.08 9601.4 4548.65 3100.85 16369.36 9337.06 19012.51 17639.32 10936.74 9463.73 13913.04 8993.85 14421.51 13553.98 3520.12 2349.63 6491.49 14976.79 17079.2 10145.35 10114.75 9862.02 10632.48 10142.88 9903.98 8224.2 9850.07 10140 2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole 41299.18 7257.85 1705.33 4451.83 14745.9 10483.79 6589.85 21571.73 36974.18 22396.35 9796.69 14955.84 9577.11 18447.65 19391.59 10938.6 6361.67 23172.96 16124.14 18367.37 21703.62 532.66 3472.01 7886.39 31604.01 16763.95 8524.78 7911.89 13298.27 7251.87 17871.04 18316.46 11932.11 6795 5021.05 19715.79 20961.11 1109.07 8471.91 2995.73 27087.28 41379.98 6019.47 6437.06 22346.02 9611.25 20769.72 12768.52 10339.29 10147.41 22870.71 23382.01 10283.99 8616.18 17163.78 1519.44 1863.77 5948.78 25038.93 2077.06 7314.46 715.04 13877.25 7498.69 2091.99 25378.5 30299.81 11677.89 9863.97 20971.97 18170.32 3725.28 12754.79 7831.19 723 16273.99 16326.91 16331.32 16344.31 16221.09 16327.91 15817.68 16026.1 14105.67 Severin 9110.46 26254.89 6950.3 21430.21 73158.71 4883.39 1054.8 54514.7 22760.65 10242.4 10858.26 82067.43 65695.41 72630.12 13277.58 46153.52 35371.92 118116.33 63949.32 125040.25 27098.95 12752.05 1682.57 8107.27 19052.53 11164.2 3808.72 4581.66 23783.33 37184.68 98904.86 67682.19 2985.37 2321.58 9993.96 16618.42 19934.27 382.99 1417.87 21312.25 323817.7 66224.32 27577.22 35884.24 65195.94 27570.16 102844.2 33290.48 5410.49 93531.98 4554.88 12929.06 26235.97 32948.7 81143.46 64293.04 17443.48 19648.19 38770.76 35308.5 22023.48 4498.42 33385.52 28316.82 34188.71 66821.89 81398.56 42630.94 133986.77 23244.86 4764.8 21292.13 7988.83 33089.37 54138.73 53894.88 55810.65 55818.42 52697.24 56566.97 55164.9 52885.07 48071.25 54412.55 Spiredine 2435.9 4085.53 13128.36 11846.27 2682.42 7800 6147.1 5972.75 4244.06 8859.86 27830.58 8172.33 20552.03 10604.08 1492.48 14219.3 11184.42 4682.23 14361.71 1889.82 3126.1 4006.58 15318.1 12874.22 3093.92 1790.48 8833.34 9162.9 1660.88 1668.17 1214.1 7369.38 1991.38 14288.17 12960.61 5066.51 1912.7 2035.97 9273.13 6061.38 4798.16 1013.4 19260.12 15768.35 2084.78 13158.88 1044.99 9189.38 6046.26 5390.5 2570.83 4722.76 19862.67 18716.18 2062.42 4293.91 12036.88 19780.82 620.9 5561.3 23325.5 17601 2758.98 13507.09 11317.04 3445.59 1870.76 7967.71 7297.41 1412.75 1603.01 9513.55 5676.53 13817.12 17118.87 5807.13 3776.71 5812.34 5943.8 5954.38 5853.44 5777.31 6162.75 6159.22 Piperochromenoic acid 1239 20667.58 5085.24 2285.92 17702.26 26171.02 86051.55 13725.43 17175.2 32346.45 22782.55 9254.4 53424.71 93916.94 80300.35 26488.07 38316.49 57974.64 47216.99 46084.68 1678.54 681.99 270.32 686.54 5966.02 468.09 4512.34 4056.75 846.14 585.17 6017.66 2078.27 245.16 1422.56 215.45 304.18 5723.84 921.7 6509.5 313.52 4224.8 25513.88 6263.24 1922.79 26360.95 20516.98 7802.43 13327.83 6030.94 51738.22 21760.11 7563.86 14240.37 2755.24 2409.33 7607.13 3375.58 2144.67 1359.6 1190.29 7436.66 3004.75 6452.94 16117.36 7545.12 20629.2 46677.75 12281.54 12575.05 3280.18 14874.27 15935.89 13594.24 29909.43 20574.75 22331.59 22513.8 28797.21 21284.75 33543.88 24867 26119.37 18264.27 25446.25 Rugosal 181705.35 169085.16 27598.58 912043.08 121132.49 224782.9 1193604.74 57024.13 167337.64 180360.49 51659.74 325643.02 1997479.79 137597.98 262767.46 523607.02 224815.08 217525.82 180182.86 186689.57 60290.15 32496.95 28570.73 70207.06 41076.69 36581.06 25158.71 33365.14 130383.28 93749.35 37104.67 117535.85 24111.68 288628.05 68895.91 30293.73 11351.48 14282.28 25342.05 33581.72 173420.99 261573.35 43068.13 108774.68 304189.93 835652.27 105854.58 70828.97 53788.81 166447.89 253206.18 151690.07 94610.66 94434.15 84683.88 125556.67 38654.41 110246.55 101981.88 172553.72 81010.94 42074.13 221671.48 84512.64 146422.26 185975.67 182389.82 57522.53 107408.98 65605.99 55390.69 184801.97 32156.64 278538.2 249461.11 124967.4 141111.85 148349.05 123574.27 102598.89 141011.41 140041.53 145221.87 127229.19 Citrusin E 16799.19 19222.71 7626.65 17265.09 33867.55 39910.64 30372.3 41297.45 34854.05 24668.76 16778.57 35289.79 34607.55 13669.27 21850.2 23845.34 18266.85 25649.39 34888.62 10612.46 15210.03 16310.91 11717.39 8980.45 14700.55 9212.52 5161.96 9643.11 21754.26 9402.81 18900.89 12530.81 9517.26 7262.48 7206.75 11648.25 19394.65 4483.55 12443.22 6384.38 27512.91 23630.79 15323.59 14719.83 26486.28 20015.91 15936.81 10872.77 12175.7 27302.68 17773.81 4043.28 9563.77 14643.17 11610.76 15326.48 4684.05 8573.01 25448.53 19052.43 9832.72 15486.53 12592.76 21966.66 18737.39 34784.83 38100.34 15341 16119.34 20207.48 22816.8 28637.19 24371.35 16807.59 19852.31 40569.94 34288.84 32816.42 39387.82 37818.1 38287.27 33472.38 32230.26 45077.31 9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione 20737.05 26470.51 27836.45 38272.18 15146.26 18889.09 45488.85 4822.37 25095.88 3839.44 33490.18 22112.04 29734.84 22003.02 20707.93 31824.51 31691.66 7968.36 6160.88 6600.33 16562.14 3085.01 9818.9 20896.54 4496.46 4737.22 5711.56 2073.51 3726.03 1595.02 1127.02 7705.79 1895.23 3387.45 9012.66 1870.42 7634.81 2305.87 26720.21 3716.42 14861.11 9317.38 26806.98 58399.43 17266.94 22451.02 8487.93 2885.95 7238.69 13878.64 11814.64 27570.25 4966.87 14337.86 36506.02 32367.81 33974.92 21972.13 11289.32 37004.45 41350.82 18618.8 37698.48 14256.14 10797.22 33640.03 37666.7 24807.45 26399.84 15026.87 32353.92 23690.4 18163.4 11041.75 48054.1 28850.89 35278.61 28615.01 29306.9 29186.92 30696.86 30338.02 28877.17 29198.13 Tetrahymanol 6801.85 8975.54 498.21 7883.19 7052.6 9054.92 4970.94 2760.11 5044.89 23980.51 9415.54 16060.3 37498.13 15722.92 15955.04 11000.36 9881.42 11513.14 28780.7 67241.55 6727.38 5782.02 1526.23 1054.49 852.05 831.14 1860.23 819.94 3565.83 1375.07 839.98 9185.29 3051.14 4530.28 4002.45 4027.58 1869.62 2535.96 1767.92 966.48 9238.99 13459.8 1390.3 2216.3 35061.69 17029.71 1816.02 4958.31 7654.51 57739.66 6996.22 2111.22 2204.93 6403.73 4750.36 5005.08 2015.15 4613.81 2767.35 2269.04 3422.4 3302.44 3731.21 3376.18 4661.25 12634.79 35526.29 4001.81 5379.09 4257.09 5896.42 5453.41 1973.72 7595.04 8501.49 9833.29 9693.65 6693.11 8699.92 8973.55 9569.34 9740.42 9179.66 9645.11 Prilocaine 2992.02 1593.17 1847.78 2838.63 10666.3 4399.04 2782.88 5304.91 3050.09 3697.27 3353.79 6958.49 9303.21 4555.17 3694.23 5421.42 2156.05 5437.92 5374.09 2666.84 5868.13 2304.16 2375.25 1950.14 2994.21 1010.13 2547.21 1550.41 3522.01 4189.41 3224.75 7094.37 3171.63 3120.4 2545.86 2267.07 3656.76 783.88 2112.98 918.79 3970.71 5929.57 2762.03 2405.42 6206.62 4306.97 1512.53 2902.42 5071.49 5412.14 4936.01 3302.05 3382.11 2808.34 6003.31 1799.52 1238.89 1497.65 6044.22 2230.03 4877.24 3909.33 4621.33 3430.17 2697.35 6502.21 3532.14 3134.12 2493.77 3735.68 2751.68 3313.42 3347.9 2655.94 887.12 4679.83 5987.01 5252.28 5251.88 5682.66 5263.91 5033.09 5547.65 5811.32 FFA(11:0) 10837.32 6489.16 4546.44 29761.54 5012.4 9966.54 16722.38 8186.87 13635.28 10652.12 17771.09 15037.01 21064.48 8048.98 6612.41 7471.8 6539.73 7656.56 6477.43 4693.87 8767.82 8674.9 8624.26 15233.11 9101.62 7206.72 6197.82 13399.47 20907 12406.47 4689.68 8600.18 7328.09 13241.49 8146.92 10512.6 9054.04 4351.09 13086.74 7838.02 10414.7 12272.9 10394.4 11192.4 10303.93 21667.55 10220.56 8317.93 9496.36 19967 12378.04 11128.99 11758.61 32189.21 7228.82 6222.49 4379.07 6044.27 6953.6 7250.91 10187.97 9703.35 7009.22 6036.24 5152.14 13053.16 12722.91 15044.18 14233.63 6862.63 10177.31 7756.28 7971.04 13564.1 59909.84 10379.01 10178.41 10122.67 10116.99 10102.33 10170.76 10071.99 10042.18 10121.12 Myrsinone 36391.54 53212.44 34971.75 98765.36 9144.45 18506.49 15282.78 11117.27 22201.23 22127.25 23687.84 21019.54 23820.59 28795.71 30436.45 26254.05 39399.54 24547.72 49118.77 10432.28 13617.4 8496.95 9804.3 5859.21 6075.04 3724.32 1404.67 1809.99 16838.88 53778.29 5832.46 19331.19 4604.46 60314.87 27986.64 3014.69 5004.51 3395.77 11740.27 2410.85 27219.02 26590.73 8419.49 9548.23 55127.37 49698.72 3988.17 11861.54 12845.11 26757.38 60626.96 13861.65 7944.49 22003.93 16082.83 12549.96 16905.17 52003.11 10805.38 16175.84 12754.94 6285.4 35059.22 9203.37 10238.74 49288.87 22822.98 10546.84 8068.22 18339.07 11534.78 35591.87 5058.63 11245.14 17594.93 28860.8 27438.36 15549.7 30009.29 25548.6 31301.95 27709.69 25497.36 23732.29 3-(Hexadecyloxy)-2-hydroxypropyl dihydrogen phosphate 14988.42 4200.87 7582.55 12916.51 5443.55 26229.42 942.18 9821.76 6942.26 37932.98 2068.34 5483.76 1050.41 50182.02 2788.45 14270.31 48437.55 10889.03 50782.87 19803.26 20752.55 2181.83 1997.05 1622.45 931.58 3540.35 2033.94 6437.26 754.14 2671.79 3933.67 3890.63 14299.61 10606.6 16580.22 3927.87 2834.07 1730.88 3957.92 3307.7 6467.12 15967.28 4701.2 5704 2498.4 18127.35 5148.09 3670.64 5848.66 15493.15 28623.33 19058.78 9130.59 6437.26 2480.25 2714.06 25983.4 3569.13 6248.46 472.34 3124.55 2375.96 5003.54 7747 4490.1 8683.2 17891.3 5065.66 47543.32 8276.21 4684.21 2123.07 6426.97 22872.92 16570.6 5774.61 7369.3 3317.89 7842.35 6764.54 8371.57 7877.97 6979.11 8990.73 Antibiotic SB 202742 7365.98 2981.84 3496.09 34726.93 11578.3 10173.63 29949.04 7859.42 5117.9 8284.12 8588.71 16683.14 25732.08 15350.67 7217.27 2765.85 7959.49 6202.45 18663.14 7194.72 6733.47 4184.43 17739.6 5259.93 4108.79 3286.33 3673.14 10587.63 6463.79 7808.22 3075.79 13325.82 3591.51 5289.7 2620.4 10170.14 4999.98 1950.39 6619.24 2762.03 15483.89 8665.36 8216.07 4703.58 11534.68 62244.01 7862.24 6246.54 8022.21 12865.22 7589.49 4093.9 6030.45 8865.14 8501.41 4612.99 3192.7 3654.5 3958.97 11030 4950.45 7781.92 7277.84 4727.15 7370.64 18945.99 4712.78 8632.11 6333.13 5702.72 2934.09 8612.47 10927.12 8259.23 10566.94 9022.32 10459.22 9320.52 7174.72 11794.7 10229 8850.09 6209.4 11988.24 Sarcoaldesterol A 7028.07 28475.9 46524.23 62214.44 9090.54 34315.71 41423.44 15435.81 24904.04 37822.4 73320.17 51224.69 47938.13 44275.33 26340.3 65088.76 64563.63 24343.02 69207.39 27463.53 19463.39 34615.33 102494.19 54964.11 10447.93 21432.27 35814.86 41345.79 17791.79 107698.13 18803.52 48313.92 19834.15 57246.01 61912.76 12093.62 13703.08 12724.53 50685.58 49949.44 19712.13 15528.68 72369.53 63547.02 22652.64 49874.59 19897.32 53062.15 30914 47032.5 8531.04 21465.55 61612.1 76468.46 19729.69 36466.11 50068.76 82030.64 17843.98 32522.24 61235.52 62135.29 20942.62 93072.68 83999.59 19503.84 27712.31 64515.14 80457.71 21093.31 15309.28 53244.66 30803.48 82747.95 75099.29 40720.74 39524.22 39589.37 39584.88 38747.13 38859.71 39272.78 39601.26 39579.98 5,6-Dimethoxysterigmatocystin 2370.86 974.63 1300.62 1282.89 1546.46 874.47 4697.33 5645.38 5580 2801.72 1105.69 2793.5 1565.22 1068.92 4681.43 3551.31 1838.64 5142.01 2923.46 8980.31 2885.56 452.12 509.65 843.89 965.3 2063.22 1034.26 1166.2 2023.62 402 2710.23 2331.91 2483.11 962.52 943.49 2347.47 2108.19 771.35 796.27 679.22 4444.84 3045.11 1257.7 2308.61 6247.32 2926.39 2963.17 843.49 617.63 2330.67 2378.56 1869.63 953.84 1558.52 4613.7 1109.51 1274.14 473.81 5859.31 789.98 1477.51 1112.15 2002.74 2959.85 1097.73 2988.45 4058.46 1378.95 2321.14 3245.77 4396.83 4521.81 3211.98 1025.5 1245.17 3094.8 3071.16 2925.16 2926.53 1438.82 2886.75 3051.1 2900.63 2866.53 Megaphone 10331.86 11813.06 728.33 2734.67 5479.52 453.41 2711.16 6216.08 7577.74 2672.1 536.25 10946.89 2869.02 9022.22 5579.28 1363.57 1747.79 8303.53 22361.52 9164.46 2171.35 3070.98 1071.36 1783.49 2658.82 1875.48 825.35 1184.92 12956.25 2592.39 3619.18 2747.17 2175.15 2298.83 1101.41 3501.16 550.07 2732.17 967.39 1340.07 11857.1 5809.64 1289.08 1202.11 17322 5793.91 10101.83 10010.91 1235.69 1340.82 4861.74 2527.35 612.92 1212.84 4819.99 2018.49 326.05 2081.08 1928.75 543.61 668.13 1408.9 8279.36 1515.63 1038.19 3347.23 4512.26 1453.75 2367.03 3523.82 1966.41 1711.76 608.44 1258.51 1131.41 4600.75 3838.16 3417.72 3414.35 3384.48 3701.07 3765.1 3549.49 3489.43 Hispaglabridin A 8776.67 17138.25 20365.77 20320.84 15037.45 20426.77 5408.06 10963.04 15271.13 11844.95 22754.99 23278.71 53341.48 46629.03 42864.55 28011.26 39629 26592.62 34563.84 47757.8 8004.11 9921.71 10381.89 35819.5 4984.42 8287.14 6567.23 7943.2 10634.82 3687.34 9765.09 15378.39 7319.62 14012.07 15801.67 10079.41 7504.38 3008.13 13454.57 12305.05 18812.85 19922.49 28849.4 33771.65 29520.03 32021.16 17494.76 14910.92 17033.92 56562.28 14331.75 27820.37 23624.89 17167.49 13436.92 11781.37 18571.31 39322.95 13797.04 16179.85 26445.17 13444.04 17078.72 17650.03 29736.33 20756.99 28760.18 17649.11 29688.72 11621.46 13154.99 13872.9 17217.86 40091.98 36460.74 23322.88 24253.26 22955.58 23211.7 23322.97 24172.68 26368.82 23773.1 24154.65 Spirostane-3,6-dione 10533.87 1715.17 6422.39 10138.82 18654.46 2426.94 1985.8 2479.81 1884.94 2593.5 1929.33 5926.28 6293.48 3378.7 1723.41 7165.9 7494.8 4842.26 8282.97 2648.4 704 1355.51 942.58 1355.26 3927.5 2378.08 2797.65 1444.76 6956.72 1845.44 2666.17 7608.77 2368.4 873.68 1253.12 2040.74 3793.39 1156.65 669.43 1704.19 7283.28 2085.56 3248.29 7204.56 1858.3 5332.11 612.84 1166.08 2612.67 8632.06 2684.34 8298.81 2453.49 3949.67 3088.39 5787.99 11868.73 1250.27 916.54 323.44 3083.56 1348.62 915.47 2731.4 4748.1 8280.14 8227.78 3837.9 8210.17 2230.32 366.68 1310.51 2787.89 10431.08 3738.37 4409.95 2908.25 4020 4404.87 3898.12 3918.06 4543.18 4375.53 4424.3 9-Fluoro-11-oxotestololactone 7992.75 11068.61 10579.47 21220.26 9472.68 13852.71 11657.93 12858.1 10371.33 15982.03 16282.94 17327.02 19792.78 15679.26 16828.84 22561.92 16074.67 23163.83 22438.97 21955.48 16219.06 16508.59 14143.48 15103.56 15622.39 12665.91 12228.69 11744.29 11718.25 16066.48 10097.4 5590.48 11154.41 8745.39 11514.38 11024.47 10885.21 7453.41 13654.82 9410.91 10827.55 9924.28 14201.06 19559.9 19774.8 10948.65 11494.44 15344.89 16127.45 2148.53 12529.07 15648.56 17018.7 10266.87 12459.04 11592.99 15204.5 14877.14 18036.12 20682.08 20026.42 17396.78 17517.48 20283.29 14299.81 10567.87 17910.63 16171.3 20508.16 19368.39 17841.31 22442.36 19412.49 17880.55 16516.76 16174.14 16733.4 16967.65 16732.5 17939.2 17119.41 17171.07 16970.83 16687.47 N-(octadecanoyl)-sphing-4-enine-1-phosphocholine 3458.87 3762.71 1211.25 700.42 1993.53 1613.27 3074.47 6182.83 5993.69 3931.28 2125.66 3648.71 4148.55 2192 2121.12 1926.06 2800.79 3085.85 3883.11 3160.56 4556.55 5099.93 3540.1 1977.62 7177.66 2429.81 4067.7 2866.94 3578.46 3516.8 3228.39 2771.17 3192.22 1403.76 1735.51 4107.4 2047.39 2748.99 3204.17 1714.73 1178 8518.51 2954.02 2180.29 3330.06 2111.44 3563.45 3191.32 5521.08 2397.73 5335.2 1283.66 1461.22 2187.93 2545.3 2644.68 1686.15 1162.15 3319.39 1278.06 3195.85 4657.01 3624.91 2004.94 1753.25 1630.26 3310.79 6484.77 2589.73 4375.18 3730.38 4202.34 1369.87 1568.19 3636.52 509.33 63717.73 34736.78 38497.44 21627.2 70294.22 59614.92 63965.04 62386.72 182571.33 191890.98 70786.52 89911.42 91644.14 61602.64 58730.73 72272.36 148484.37 27112.09 3198 3543.77 3521.35 3363.71 3557.55 3447.79 3039.78 3523.02 3938.23 Deazaflavin 674.81 1776.11 3274.84 2891.15 549.77 1590.27 1871.39 3210.42 5226.6 10209.45 5635.73 3070.71 3617.82 2970.96 7984.13 4644.31 3598.28 13777.68 8275.93 1317.73 3195.42 4791.8 3862.88 2333.18 2866.25 10021.92 2582.53 5553.77 12529.63 2686.58 1993.37 2520.22 4548.63 3394.52 2035.24 3249.83 1412.43 1867.2 4402.77 2787 44004.65 1028.44 1889.69 2154.35 11291.01 890.99 11280.27 3681.45 2088.31 13073.95 1060.28 1520.43 615.56 1142.71 3289.35 2403.82 2200.62 3083.65 3551.82 3013.39 2764.72 1593.86 3685.03 3295.76 6052.77 5258.33 7191.68 2847.41 717.66 5793.31 8653.11 12095.68 27509.29 1209.42 3862.46 5753.99 5669.49 5841.55 5793.65 5836.32 5830.24 5758.5 5837.4 5836.54 Miroestrol 17899.93 6525.09 11753.47 18355.92 11236.85 7606.06 6386.75 15998.69 9538.56 2258.87 9920.71 12745.63 5742 8334.56 9555.22 5599.52 8295.32 8894.84 9231.19 3629.95 9671.98 18793.88 2114.22 3773.52 5602.42 4687.28 1488.64 5458.47 4992.92 644.86 1695.25 3662.75 3300.96 9654.64 2807.24 6084.69 5287.31 1314.02 21617.57 5943.83 10500.55 6198.69 6629.71 11307.41 14539.91 43632.97 11085.16 9555.07 1084.73 4125.67 18756.99 12303.86 8619.46 20240.35 15634.49 3263.21 8289.89 5559.75 755.23 8366.05 6162.61 16339.05 13291.44 8685.66 3817.6 15562.18 7666.68 8169.66 7520.56 11382.75 9832.93 3273.26 22746.31 9356.93 22015.28 7702.26 8011.67 8235.56 7710.64 8004.36 7832.79 8004.05 7002.72 7754.96 Magellanine 4909.78 4644.54 4016.92 8875.98 12733.08 14835.94 18399.75 3839.37 6840.46 7546.54 8663.51 9677.26 14019.22 8841.59 4296.17 10375.49 7739.9 7044.05 11276.06 4383.17 2970.83 7150.18 5462.8 3604 2103.23 2265.12 2829.1 3930.22 6013.15 3555.74 3604.92 6004.35 3620.78 9507.22 3647.99 2896.1 3776.19 2472.27 6589.59 3235.58 7998.97 7569.17 7318.55 6399.21 7851.7 12153.81 7373.98 6953.93 4222.41 10281.64 4947.32 6306.87 6637.09 7317.39 6548.76 7628.76 6195.36 5093.32 7114.81 6300.92 7021.97 8746.64 6515.56 14574.54 8375.68 8246.07 6107.79 12226.81 6870.93 5564 6301.1 8602.89 7693.98 11087.07 9905.01 11100.44 11111.02 11165.63 11072.82 12077.18 10415.23 10892.71 10105.04 10719.82 Cashmiradelphine 898.37 289.18 287.92 1584.16 304.02 18762.59 2723.81 547.1 110.83 393.48 285.22 269.14 234.9 166.71 263.77 352.26 139.88 576.65 607.24 206.79 140.75 2188.37 307.8 100.98 274.34 2779.31 114.77 231.57 244.09 220.1 244.86 218.9 2279.74 743.91 191.5 184.99 160.61 1042.26 196.11 113.42 1598.53 1445.84 338.9 226.89 572.42 441.72 239.69 331.43 252.49 185.78 2022.94 103.29 285.15 525.73 2000.15 301.29 185.54 506.85 360.83 7408.74 421.02 641.65 608.63 110.39 397.59 1305.36 159.14 171.48 393.25 110.16 371.92 774.6 145.77 110.82 456.56 1705.15 1787.89 1999.94 1785.81 1596.59 1732.47 1797.33 1791.24 1714.45 Bisbenzimide 1021.79 694.66 808.06 430.12 2845.25 1824.62 1921.19 2315.66 2582.17 896.26 1613.57 2755.16 4492.64 2565.05 1299.32 1819.25 954.96 2807.52 2771.16 780.36 699.43 819 538.9 776.07 829.03 613.61 583.5 439.97 688.92 621.62 1286.54 735.98 518.14 823.83 588.32 307.31 1924.08 369.74 1295.9 408.34 2844.05 662.46 454.17 1884.73 3504.17 2661.4 1143.51 1754.99 707.24 3600.44 968.72 3261.12 1718.39 2006.16 1846.55 2141.78 608.66 958.14 1191.34 763.92 1297.84 1357.35 1907.9 937.66 1072.15 2759.19 2835.72 1858.65 1922.58 1701.37 635.12 1436.64 1028.05 550.43 2088.51 2380.59 2516.95 2532.38 1569.14 2525.87 2393.49 2418.38 2984.04 2386.18 5-Hydroxy saxagliptin 3179.95 5637.86 4217.85 7175.26 7304.93 3307.62 4045.18 10064.91 10035.8 4429.88 2817.39 15037.16 2417.57 2140.18 14085 4931.82 4918.31 22373.73 8122.23 10889.87 2558.04 4566.87 1032.43 6296.9 5563.5 7788.31 1454.94 1761.57 6318.67 1613.64 3160.1 4538.35 6737.67 1098.6 1452.23 5565.67 11257.95 487.99 1620.7 2324.12 2315.92 4761.39 8360.37 1382.39 7200.35 4144.15 10634.7 5183.46 2738.72 5253.63 1363.46 4368.18 4281.95 7557.5 7727.42 6866.79 3446.49 6751.22 6022.46 8998.95 3202.27 2128.75 11253.74 6427.82 9801.36 5672.86 2087.45 2698.5 2521.66 9910.41 15392.79 3478.01 4018.37 11549.04 1943.71 6458.06 6338.23 6496.54 5419.35 6492.3 6463.65 6493.67 6333.67 6478.45 5-Heptadecyl-1,3-benzenediol 6856.85 6307.77 4563.12 8974.33 4044.34 4048.81 5852.82 7726.86 8769.63 7302.35 9510.39 10270.76 8198.44 11243.15 8852.7 7843.31 9010.34 7911.46 8710.89 7793.58 5234.87 4095.07 5272.32 5155.12 4383.44 4331.63 4120.51 5112.39 4096.43 4613.17 3722.12 4779.28 6183.51 5232.54 4676 3382.3 5325.56 2474.29 8836.2 4894.21 8363.8 5961.36 7450.85 10991.25 7943.41 8327.43 7129.93 7718.58 4864.84 8356.69 7077.05 8124.62 7152 7496.09 6638.61 7030.34 6685.6 7229.62 8061 10996.72 9820.1 10995.52 8907.07 9041.15 11251.69 7751.21 9980.27 9610.75 10174.46 8335.94 10660.51 9429.22 11575.95 10823.17 11540.08 8906.17 9031.74 8905.26 8986.98 9046.06 9032.58 8964.01 8277.6 9328.02 Crinecerfont 993.45 906.08 683.3 859.69 2837.62 2378.06 1317.61 1695.12 3243.21 1016.62 1677.19 1252.95 1307.43 1398.54 5428.37 2878.44 1151.02 3487.67 764.58 4609.65 1134.49 694.6 819.23 790.97 1265.74 1094.85 844.97 2782.38 2570.2 1392.13 2039.94 970.57 877.82 661.8 831.87 4372.67 1714.7 483.23 656.28 746.58 4003.06 3303.2 1283.58 953.6 4830.52 1970.64 5787.77 1833.56 548.53 1866.88 666.94 1927.18 1293.64 1036.51 1674.53 1956.22 1139.96 1573.56 5257.52 1241.03 894.34 1137.66 1752.34 1857.75 2234.83 2251.23 3493.71 2632.96 972.05 1640.83 2635.18 4909.95 1289.6 11399.92 4336.13 4665.02 4468.88 4839.14 3394.32 4826.05 4413.32 4739.5 5396 4611.85 Decanoylcarnitine 200.04 81.09 706.51 5481.5 34768.76 28446.23 54216.37 479.94 119.12 87.47 358.52 629.9 2722.14 154.64 121.63 1369.4 1672.53 48.36 25.6 33.72 189.91 93.89 23.92 48.47 86.45 65.65 50.64 28.48 46.34 48.41 85.23 97.5 108.34 145.05 528.09 29.04 264.43 195.44 141.34 89.98 8472.73 423.15 71.28 142.76 60.24 1596.19 242.54 173.61 217.54 1075.93 270.42 59.57 312.83 712.19 1578.57 80.22 1056.05 632.12 247.99 955.2 839.09 1494.33 282.03 57.85 23.67 758.61 94.77 54.3 92.38 38.61 225.53 87.08 23.15 115.76 580.91 4715.28 4734.29 4691.97 4816.69 4724.15 4693.61 4692.77 4572.84 4694.19 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate 20762.57 39495.68 98171.81 111323.48 151815.18 180120.5 311157.83 6446.59 27631.46 21557.69 29951.08 55534.74 159432.34 208000.32 89271.68 90920.88 62139.37 30907.06 119055.26 86703.1 24563.16 40125.8 29395.13 36434.83 15259.17 21646.62 11169.18 32873.66 43275.89 14610.98 17575.26 129556.91 18375.98 34160.99 34945.11 32988.42 26167.56 12651.88 77797.64 35070 40458.58 28166.44 175433.26 59300.94 190120.64 123485.83 40071.23 12890.45 138997.73 57582.25 28490.64 30413.27 51123.81 51059.89 64717.24 26871.57 85966.65 23021.57 34721.96 34592.16 27626.27 45086.4 34109.78 51214.07 76202.18 39860.5 26768.55 56333.76 49193.04 37837.91 22898.72 63063.4 31970.42 168426.91 63041.82 61351.5 58658.39 57752.15 62144.01 61086.97 60837.51 58994.69 52480.67 61602.09 Cyclobenzaprine 9480.44 9461.81 6790.91 13307.45 14119.64 8348.49 15469.2 8241.5 8244.42 13859.43 13577.31 13769.48 12859.23 12805.14 11539.21 12701 10980.37 10119.54 13700.11 7278.16 6690.66 8883.52 7213.58 9515.2 7565.8 4778.76 5826.38 6551.65 7932.74 13543.95 4990.1 10912.89 8234.51 9085.26 8305.95 6244.9 7223.38 2397.08 11883.23 5455.63 9558.39 10447.35 12487.54 13933.73 10908.74 13850.98 9079.49 9923.98 9012.44 11675.42 6991.47 10663.94 10161.27 10686.96 9873.17 9061.93 11447.23 14035.45 9729.95 13251.14 12599.58 16869.47 11663.87 15451.52 10943.6 8959.02 7994.16 13147.83 13951.5 10642.04 10990.97 16920.81 10828.53 18607.67 12872.14 12133.28 12281.22 12134.48 12251.64 12202.46 12052.65 12205.26 11677.75 12292.03 Patellamide C 1360.59 9589.07 23438.57 9340.96 2522.42 8935.35 2453.43 7584.06 3687.87 3637.9 12712.06 9250.37 13848.8 12097.42 11123.29 58132.38 104370.23 54699.88 127871.4 5358.91 12679.86 3921.64 9355.67 4284.1 3597.02 14933 2033.59 1003.43 75823.18 4595.9 2635.9 7724.54 20935.89 22207.54 45342 14320.96 3664.26 4430.69 1830.53 2433.34 7948.95 5308.07 32310.01 54631.36 4525.37 30638.91 23588.84 54110.91 27186.66 22263.97 2534.43 9287.72 60387.27 41134.88 16925.22 3082.9 17545.34 25590.94 23270.28 4177.18 57837.41 39080.93 1099.85 49046.86 51311.62 7006.16 9679.55 20790.03 18790.35 10972.35 800.31 22622.49 2398.02 50015.58 19351.62 13594.11 11447.87 11856.63 11757.38 11775.97 14572.34 6927.22 12023.25 13736.16 4-Ethylphenyl sulfate 27224.22 18724.01 2273.65 7300.19 33996.95 19879.32 23198.99 29244.2 42836.22 32462.6 25632.47 29916.24 35397.88 32716.33 34550.48 41282.24 24683.27 51469.24 46068.65 69078.8 20409.46 1933.88 14856.01 16703.28 18136.19 794.24 11286.64 19381.1 32181.06 12787.56 32682.2 41194.17 12124.86 12876.94 13275.62 24278.43 17411.24 4396.98 19129.54 12030.01 63901.93 46897.68 23077.86 25339.93 82326.33 35571.36 51712.34 23096.29 65139.95 67227.94 30798.85 26013.03 26362.82 70500.1 23659.81 22130.32 6185.97 4845.43 27555.26 15810.71 9198.54 5938.22 20152.87 28051.3 31718.68 42999.41 25861.04 32536.16 33870.27 28468 32965.62 30001.72 61617.36 25993.11 30311.78 45510.15 37665.81 37481.41 37148.29 36797.81 37418.44 36732.76 34710.19 42783.16 Indolocarbazole nitrogen derivative 4344.23 3552.25 5812.2 8204.45 692.85 2565.93 1863.76 1343.26 3342.16 4540.03 3880.24 4674.47 18468.14 13697.29 1719.03 2471.57 7552.12 6273.79 5487.35 547.78 1710.62 7849.64 5283.03 5712.24 3981.24 831.2 1563.53 658.57 2146.81 555 3068.87 949.69 2227.23 5431.01 3859.79 2533.08 2960.82 1940.31 1134.69 2455.02 6689.2 3405.52 5440.05 12915.86 2989.68 6086.71 3294.43 14466.71 2000.14 6544.08 2247.87 8000.98 7914.48 7148.77 3148.93 5448.55 3365.28 4454.13 3026.24 7641.34 5906.43 5165.74 4578.37 4943.43 3984.43 913.79 7111.98 3671.82 3073.54 4624.71 1095.58 4655.66 2003.45 5272.11 5962.58 4276.91 3821.09 4843.41 4303.6 3911.92 4262.17 4336.52 4382.41 3837.21 Artonin K 546.68 3970.93 1575.74 3565.85 3046.89 4003.4 3377.7 3992.47 4077.67 2563.69 3633.48 5659.73 987.64 3906.11 563.21 3868.25 747.83 3615.59 2483.61 5340.26 2331.74 1405.13 1181.34 1296.85 1506.55 1756.83 431.53 2179.37 2270.11 3308.84 1875.92 5594.88 3760.16 1165.87 1399.8 1575.82 2156.19 612.76 1931.34 1792.68 5159.6 2427.9 2104.1 3574.31 3831.87 2736.58 4691.97 3954.65 1136.65 2652.91 2903.62 3384.82 1736.63 2446.79 3878.3 3954.24 2157.66 3629.3 5040.68 4094.85 3624.1 3120.01 4269.29 4064.92 4819.13 3468.16 4239.89 2183.7 3371.32 4219.05 6089.57 753.66 4651.67 4608.26 3232.61 4182.32 4241.3 4298.56 4038.71 4005.85 4338.79 4205.54 4180.39 4244.97 5b-Cholestane-3a,7a,12a,25-tetrol 117243.96 51372.07 18710.89 23728.48 37278.9 125353.33 31972.75 125047.24 35141 21852.05 34347.69 161178.98 14972.08 23071.55 66325.94 45871.05 44438.69 92381.79 9943.07 116164.07 153509.52 252839.33 32800.66 39410.85 39584.22 93386.59 8965.9 12417.42 106142.7 238987.86 111760.2 80492.95 128989.31 55918.06 39453.57 78143.23 36813.14 56475.2 19332.42 25198.45 97451.59 96451.62 28448.57 33417.72 141464.82 47696.74 58570.65 70901.07 26385.08 83906.24 75446.84 69762.11 40431.41 78949.82 45186.27 67312.55 34911.83 18026.19 102539.45 134767.32 35525.17 55593.17 83987.9 32000.26 46573.83 50093.59 117340.7 14043.24 72054.03 49166.47 42522.51 31408.49 31159.02 36209.65 26565.36 42798.55 42210.42 42826.28 42845.74 42854.15 42860.06 43772.62 42870.05 41016.77 Macrocarpal I 40811.39 41826.26 155530.98 52891.02 2310.13 13679.18 1218.53 50289.61 148518.83 29787.21 71252.21 27106.8 13350.58 36723.4 49477.84 66063.47 39109.53 14459.41 26319.73 78337.35 113838.82 117475.43 106415.15 93034.56 101253.77 62002.21 112244.15 67141.15 234760.3 88973.65 22817.01 49798.79 153766.02 111740.53 96081.35 136044.8 94448.87 12111.53 96802.19 51220.59 2120.3 17688.39 92088.22 26695.38 15335.39 31359.78 52257.41 104976.23 232302.38 30832.51 47378.03 58137.24 139729.9 89999.56 98287.21 38612.36 75985.37 68853.94 42484.9 11782.14 154449.74 59889.37 187201.76 105366.86 100025.98 39701.96 4453.53 39581.08 49571.6 95898.88 28286.86 46567.6 99066.47 38944 175648.7 33542.28 31483.91 32827.6 30873.69 29933.34 18157.71 30054.6 33537.95 29131.36 5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine 1368054.77 1451116.16 1549561.39 1095373.31 1642407.07 711455.38 1406694.58 2203841.26 2279053.66 1823637.57 733136.69 2588401.63 1971327.53 1673887.38 1544535.09 1446680.17 1467445.41 2235983.08 2293937.52 1564821.12 1395883.36 991603.54 1544805.28 1420324.8 1816064.47 1209735.22 1166774.9 1460431.41 1865872.57 1184622.62 879664.77 1441787.17 1433106.27 1401150.14 1410733.95 2138302.72 1391514.42 262421.43 1417581.12 1192120.94 1229069.62 1272030.51 1428300.98 1366089.33 1984541.86 1186280.46 2085591.87 2141021.16 920007.99 1299328.57 1221110.23 1406652.08 1440121.75 960528.79 1309881.52 1487881.55 1350839.82 1374890.69 1453835.87 735264.73 1481245.68 1858494.74 1777233.3 1400503.28 1594369.61 1781156.21 1384658.38 2324075.12 1986613.43 1943960.83 1369131.26 1342292.83 587609.35 947821.18 1211141.9 1433528.34 1482761.15 1451709.71 1439939.94 1460065.25 1440782.5 1457216.87 1137446.42 1438962.63 13-Deoxycarminomycin 367.91 4347.76 2552.32 3223.31 3622.08 962.09 3498.59 506.31 1877.79 1693.7 1287.79 1134.8 1556.16 925.24 1118.74 23037.67 20297.48 49330.46 44201.37 13391.8 4253.29 3750.55 815.29 975.86 558.9 7610.99 811.31 875.33 29638.08 6615.14 548.38 1840.63 2647.8 631.26 7747.61 1010.85 944.5 358.2 356.13 454.35 5369.03 2282.66 4352.04 11458.62 6533.63 1555.04 5979.44 17547.87 2561.52 2225.2 656.64 1974.7 4550.39 3665.94 732.92 6123.5 1608 11033.43 761.07 6250.85 11693.6 2836.13 6774.87 15584.19 24128.65 709.88 615.73 2973.41 6125.97 538.86 1563.56 2433.3 8125.4 16081.77 1487.22 4674.33 4050.7 5137.56 4663.62 4465.95 4827.25 4798.79 4999.67 4986.33 4-Chlorodehydromethyltestosterone 1103405.78 981582.59 161221.48 1483556.71 606433.32 716891.21 1221595.39 923403.81 477004.92 335721.16 133350.79 202135.11 88244.42 940900.19 692759.09 502672.25 1338907.64 1118922.31 1600406.71 1139320.11 66347.07 244473.64 172914.14 359715.44 231749.47 190562.95 66660.75 105644.61 485426.62 75868.62 245619.5 367709.26 20881.98 24828.22 256002.49 169245.62 256541.79 82495.35 162801.61 133108.86 803624.98 430001.44 234511.65 455888.59 1874056.91 260716.14 912633.14 247519.82 43378.9 111230.97 484614.73 390878.41 251573.85 177358.2 639293.22 481070.31 84138.12 589760.31 249945.09 365378.42 347654.25 30643.51 1419778.75 443234.73 444045.78 540625.43 381874.07 373414.75 240793.2 484055.49 468291.52 1220946.05 249538.02 127814.58 135610.4 378264.94 371914.61 367650.28 352496.35 375035.84 403213.66 398500.54 365702.46 400705.48 Virginiamycin m1 8650.34 23229.97 16879.33 25896.14 6274.25 25340 5382.52 4075.66 6095.19 3472.67 16863.37 23866.62 32319.12 30506.56 18607.55 13416.45 22525.92 8827.4 28654.71 15497.62 11211.14 24418.02 9981.82 14186.04 4744.05 9180.17 5957.06 6427.05 8988.44 1699.69 5122.65 19135.84 9170.16 16229.34 12101.17 2999.4 6799.7 5262.97 10174.32 9459.55 16497.22 11687.37 20344.47 28126.3 20484.42 20720.43 10186.7 20112.61 5426.4 39428.53 3410.9 28653.25 17436.23 30774.64 8592.9 30580.05 20171.49 23262.62 5409.51 25320.9 18533.03 10218.28 23700.76 18770.97 23261.9 10802.47 20384.56 18304.5 18557.82 20161.12 5372.35 7199.17 15929.06 25179.57 26635.25 13771.46 15107.21 15023.27 14132.82 13774.72 15044.39 8482.53 15063.52 14743.79 Testosterone phenylpropionate 1230.81 1031.24 837.22 2513.61 2466.28 2940.72 5621.25 737.37 3105.83 1868.49 4953.53 4394.27 4037.78 3314.52 4039.44 5956.27 2856 993.69 911.08 1964.07 913.18 1237.86 338.34 2570.29 1058.51 668.4 463.37 1146.31 917.57 1186.68 855.66 594.65 599.4 1142.98 390.31 986.5 953.53 1133.94 2509.27 832.74 477.9 452.6 2629.83 4020.77 2032.45 3223.33 572.64 1709.98 404.05 2648.17 934.26 941.53 1796.93 900.42 4461.61 2233.76 1910.65 2850.6 683.04 931.91 3333.62 855.12 1940.42 1489.43 1934.55 1507.86 4435.52 4126.77 3592.15 2288.1 3544.99 2528.57 3427.46 909.39 5167.83 2901.38 3242.73 3054.49 2993.84 3087.31 2965.76 3052.2 2955.24 2761.79 Rhodamine 6G 1315.7 1248.2 1200.22 289.66 1537.05 683.53 1331.99 1456.43 4126.46 1821.16 1573.89 1499.13 1307.26 2182.08 1677.1 1606.59 27922.64 1091.78 754.04 1089.04 482.02 1368.73 279.74 1254.9 1139.21 936.81 446.63 1446.16 1057.29 417.95 512.35 719.95 1909.71 1318.3 220.97 612 1001.47 823.67 1557.71 1311.86 1721.42 1203.92 828.39 289.57 1787.91 543.03 1541.91 1673.97 748.78 706.49 652.2 404.3 3392.2 1033.2 1192.54 1050.88 16082.83 1216.9 1245.26 658.36 1248.92 1903.59 537.71 1967.26 1091.45 1441.78 1155.59 3799.6 2204.29 1819.04 1319.36 2223.78 486.11 769.27 372.11 2888.29 2733.25 2414.99 2551.35 3021.18 2521.2 2734.81 2286.51 1167.56 Calycanthoside 49087.77 38047.72 39087.55 29498.67 117566.22 128276.61 123464.97 116662.95 80778.93 70443.74 70641.71 116011.21 109459.99 65620.17 104125.49 332682.21 87100.13 88395.96 86172.4 97222.83 55647.19 60257.27 28579.81 23742.29 43247.4 42168.33 20113.89 6637.11 92646.19 50466.54 48205.03 126603.29 78577.22 42842.99 31589.63 61366.76 110265.04 18659.84 46186.23 21121.84 82896.95 103937.71 48447.15 43974.09 87688.34 56593 22303.78 39126.32 85455.29 131482.1 63083.61 55126 53018.49 62328.87 65088.87 102560.18 47542.23 49972.05 78123.49 79775.11 70420.15 78134.98 98949.83 52581.19 78016.7 81051.32 96986.74 90892.45 86222.33 69901.63 76348.18 84747.5 146449.35 139917.09 105075.94 87309.95 87738.97 87735.86 88328.46 87680.78 87742.26 87572.22 87307.12 87311.48 8'-apo-beta-Carotenol 1669.09 2505.07 1504.43 625.89 3492.55 2836 1235.55 2846.76 2105.3 2089.76 1878.36 3601.27 1337.8 1950.12 3183.96 2819.23 2432.71 2445.26 1659.53 2020.77 3618.56 644.29 1556.26 1378.6 3310.88 1146.1 395.83 1429.37 3216.08 1140.26 743.91 3519.59 3443.65 1197.97 1097.21 3966.37 1362.13 624.87 1117.99 1060.84 2893.85 2807.33 2070.82 1553.87 3624.3 2761.33 2750.68 4414.15 3135.02 1982.68 1946.73 1936.15 2088.83 1994.77 4804.64 3764.32 645.27 1002.17 3364.31 2203.68 1547.04 1273.16 2502.22 2941.97 1477.62 3970.61 3634.81 1030.1 2620.16 5441.11 1885.83 1384.39 2654.68 2048.2 1538.05 36802.15 23580.8 26013.33 28566.72 24766.25 37108.15 19688.68 34956.05 22615.37 27724.95 32301.8 21774.62 30419.64 23543.73 25964.75 25087.9 50989.23 27804.28 37544.55 24236.33 23575.34 30444.8 27515.78 13323.67 25965.01 2938.31 2884.83 3034.11 2821.36 3027.7 2943.75 2995.55 2959.76 3333.49 N-Caffeoyltryptophan 1815.53 1279.21 532.92 2555.77 1069.95 5222.84 5405.35 1314.18 6460.34 2560.43 2718.01 2393.36 862.2 786.17 3824.83 2744.36 2376.12 6527.28 3858.46 3740.72 892.1 2935.84 2233.37 1023.61 3716.72 1738.26 1530.46 1874.77 3922.31 1455.47 4905.37 2917.01 7117.84 700.15 1251.05 5600.83 1243.32 944.06 780.99 792.07 5574.85 5564.42 1816.69 654.92 10139.71 3624.77 1571.71 1532.21 1178.22 6280.26 2294.8 5063.99 2877.36 1273.59 3888.42 6272.6 683.8 1256.52 2023.24 2688.34 2018.26 1697.17 905.62 1886.37 2058.36 1054.53 3763.59 3496.5 2467.01 2078.55 3660.83 1825.5 3056.06 2420.94 5656.62 3865.57 4394.01 4159.61 3674.05 3731.87 4061.13 2548.97 4265.75 2121.57 2'-Apo-beta-carotenal 11643.3 12195.41 4743.15 5358.46 1949.74 2227.63 2844.45 12779.34 13090.94 15658.99 13847.38 6812.76 8873.52 10404.65 12067.47 2292.52 3210.41 10051.58 13643.56 4025.38 7081.81 10770.45 15174.66 18471.52 10042.17 11941.06 15683.58 16618.21 10763.86 2411.36 4690.23 18451.3 9151.58 16782.09 7933.4 12940.65 14943.13 3205.09 16954.43 14103.85 12587.62 10289.83 16332.69 22085.93 15498.64 16754.43 8062.55 2328.99 16928.58 10099.63 12786.65 6780.58 12726.08 7104.64 6596.13 3062.84 3624.18 13189.29 5087.67 2864.69 6852.97 17488.52 17047.51 9221.73 5367.93 14514.8 10001.65 16646.66 17898.88 12134.52 11823.98 18503.88 11104.12 12305.14 16369.66 10001.51 9743.01 7138.45 10402.58 12263.87 9588.48 10134.43 9559.19 9814.48 Oxyhumulinic acid 10429.54 1430.48 1786.77 403.89 7923.45 2090.83 4694.03 15663.08 11706.42 2973.13 7731.35 8243.99 8032.73 3833.57 10584.78 15471.86 3284.96 11254.85 10103.99 28629.25 7477.86 1106.79 1818.06 1744.42 7602.12 5553.85 1613.88 2433.74 6456.41 12560.88 7802.4 30661.62 3124.53 2156.12 1256.46 3773.42 6612.06 1008.06 2378.9 864.23 14240.21 11577.89 4471.19 2697.53 17566.51 4924.01 12629.39 2829.97 9487.21 16539.82 8677.67 5198.7 2120.45 3922.37 7919.07 2342.91 825.57 1189.84 21860.52 1934.57 2781.95 2867.25 5290.11 4694 7911.17 10205.42 8914.75 2251.14 7236.82 15041.46 10817.56 6248.13 10376.64 3186.22 3929.04 8280.47 7915.56 7975.56 8204.68 8272.08 8626.39 7917.97 7960.76 8272.39 Colchicoside 3398.76 1246.42 795.73 2624.8 9914.67 5323.1 2375.57 4928.23 7132.56 5940.36 6499.22 6438.97 3193.8 2723.44 5238.95 6817.21 4318.02 6939 5888.06 8708.47 4349.11 1048.44 1299.63 1020.74 2251.14 2236.88 1892.53 1782.81 4632.24 695.33 5067.55 9073.49 1532.01 1785.39 230.06 1290.91 1683.07 692.14 1117.28 387.63 3809.63 6273.12 2151.66 1118.16 8776.12 3363.2 4023.09 3423.63 2728.74 8232.32 5903.48 3995.73 2138.07 4537.1 3625.1 884.11 816.25 468.59 4461.69 886.71 3124.76 1611.19 3555.68 2760.57 1197.61 9742.31 4748.13 4618.89 2486.67 6857.54 4685.08 2335.59 7698.54 3204.55 5365.65 9429.96 8730.24 8847.17 8842.55 9964.18 9620.83 9142.1 7896.33 9632.43 Caffeoyl tyrosine 653.58 2134.44 3218.14 1367.29 836.38 15247.36 4834.24 752.23 322.71 693.92 485.36 691.9 267.47 1481.53 654.74 752.21 304.07 1384.4 608.26 310.04 681.47 1722.33 771.54 512.69 487.93 704.44 472.67 445.86 846.42 154.71 1097.56 177.86 1109.16 704.9 615.76 190.99 247.81 2102.61 987.17 429.7 910.9 845.63 1379.71 1213.43 2335.2 762.49 934.79 1543.66 818.69 812.91 342.76 1652.42 1141.57 953.08 463.64 1443.1 2402.84 3791.31 969.01 5334.1 947.27 795.4 1587.44 1496.58 855.31 543.84 1348.17 1672.57 441.37 408.27 1059.44 640.09 218.77 538.38 1166.86 3843.68 3199.91 3681.59 4788.64 4047.66 4053.46 4091.74 3860.38 3652.84 Docusate 1158.51 118.64 178.2 6251.37 5831.95 4977.3 5158.18 845.72 300.99 270.1 199.31 374.54 6128.78 755.42 270.36 1572.75 362.37 218.69 216.46 139.54 76.92 192.58 176.48 248.04 76.97 218.76 684.98 607.11 262.38 159.19 149.91 382.64 461.48 131.35 376.36 410.98 403.11 286.07 434.94 1380 6140.96 2392.47 90.94 749.59 156.73 8033.74 309.34 170.28 853.56 771.44 922.75 293.25 525.15 1479.37 4449.69 429.62 522.25 184.51 374.09 1724.52 102.08 1012.8 280.06 326.07 932.67 1084.67 132.66 602.06 77.41 220.36 94.64 346.6 169.02 566.53 1565.43 2880.44 2772.84 2637.12 2717.44 2716.98 2770.47 2745.53 2770.13 2715.64 1D-myo-Inositol 3,4-bisphosphate 2381.69 674.21 481.43 2133.54 2144.75 3632.64 3621.64 1043.51 457.5 944.28 7576.38 2927.43 5233.25 3667.13 1760.83 3597.58 2780.35 3623.71 1635.91 4118.36 1592.37 597.32 1558.7 935.95 485.58 1004.74 674.11 1052.54 1159.85 611.49 863.32 949.36 462.2 1365.65 1116.44 936.59 902.19 7299.18 1158 809.39 1714.65 523.41 1869.44 5011.87 5278.09 4780.72 1787.76 668.53 1455.19 1952.44 563.84 2881.18 3817.84 5715.31 3507.65 1057.28 500.86 1885.9 2552.18 571.5 2954.69 2486.65 1213.23 565.11 1730.24 1100.56 2333.31 2053.27 4536.4 1080.29 1258.85 576.39 4806.95 1424.51 4663.47 1785.26 1811.97 1790.24 1955.82 2103.78 1745.34 1982.07 1757.77 1929.8 N-acetyl-D-glucosaminic acid 55051.3 88159.88 26725.23 56898.15 25550.11 41197.73 21262.68 17123.54 25213.57 22682.95 25398.37 45560.24 78546.06 92199.5 80054.56 49836.25 52463.84 143520.39 75572.91 83070.52 19696.2 18931.04 14284.2 14201.63 12007.56 17294.43 9192.19 12457.76 34468.76 30197 73915.82 110186.23 27076.35 14708.47 15461.74 29970.56 13465.17 10223.18 12400.01 10948.59 80154.18 84959.99 32577.11 37295.19 118248.62 76345.5 59900.55 34898.55 37247.12 166083.44 56714.89 110187.38 38848.65 45405.56 68103.21 113427.61 26169.28 25154.94 19911.06 27158.6 15108.25 15819.56 57566.82 34423.63 35738.23 67639.37 184794.54 38270.97 49460.19 27744.95 24277.24 20934.29 19729.56 46866.82 28770.15 56382.73 57098.02 56294.33 56285.74 58569.68 57090.46 56352.89 55200.69 57119.91 Marinobufagenin 4923.67 37487.29 2352.07 10912.47 31986.27 115279.33 26771.76 11015.94 33443.51 10418.35 7069.14 34140.65 418.23 442.38 64820.5 498.93 9850.4 9489.75 15226.51 33681.38 9924.3 2077.99 4756.87 3382.16 627.74 2657.79 2902.44 2450.53 14795.39 476.95 10839.89 8371.86 4159.4 5406.87 2694.77 2214.69 1297.54 1110.8 6935.02 2492.22 28685.57 56295.4 4604.06 5445.83 12772.35 13559.01 13203.15 35258.54 4515.49 13526.83 2084.38 19256.46 5695.65 5132.32 5539.89 5654.44 3330.6 3373.95 1156.09 1506.2 4126.37 4848.2 6081.29 5710.08 6851.07 13693.8 45549.94 5609.39 6833.73 3767.59 11903.53 7917.77 5184.71 9068.68 4860.8 6810.62 6901.17 6811.27 7102.95 7142.84 7145.87 7911.26 7095.58 6872.89 Erythronolide B 37453.27 28158 7364.21 14948.33 44690.23 68146.86 40764.3 26476.19 47117.72 11689.85 14690.28 12134.5 16049.53 6194.72 22046.41 37606.63 6891.36 7949.76 15641.71 10000.62 8907.3 6486.23 4095.95 4921.28 8097.55 6550.28 3935.78 4770.88 10531.29 4892.1 8174.72 10310.78 3259.5 3402.15 3415.12 4910.52 6215.95 2772.95 5775.49 4366.46 6929.5 12446.59 5564.57 4300.28 8456.85 13582.42 8389.86 5351.39 2687.56 16393.01 9621.43 13225.13 4287.11 5324.53 16878.5 23879.92 7053.86 4019.19 18091.61 17085.31 6853.3 8219.29 11614.36 12172.33 6724.38 18640.36 22684.39 8486.45 5686.5 22951.01 18939.02 55845.7 7731.1 5139.3 32089.21 25785.95 21693.83 18676.99 20614.6 20184.67 23850.85 17225.1 13310.19 21016.01 4-Hydroxystilbene 1364.98 2387.6 1575.61 5578.57 2646.65 941.57 6926.96 3216 1435.23 13732.29 2031.67 14842.97 5035.02 8529.02 4199.8 18118.73 8199.31 3161.35 20703.11 4942.01 702.29 533.52 666.46 1868.9 896 4559.81 1994.41 1724.36 3605.53 4043.84 1765.36 8147.19 1966.07 3740.7 305.81 2351.2 3008.85 887.96 2539.08 229.48 3850.79 698.77 4989.77 5211.9 1042.79 6893.06 718.02 2158.15 4677.46 6796.08 453.57 2304.72 756.11 2626.07 1893.66 6176.11 3111.49 1371.9 5864.92 4062.08 5912.13 2622.12 3711.91 1586.51 6885.72 1735.32 1527.5 7638.76 8903.84 1955.29 3375.72 9778.09 3996.54 9515.09 19085.83 7934.47 8057.55 8367.73 8344.22 9175.07 8010.88 8336.32 7924.52 8471.43 trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide 4000.38 3416.6 3730.39 2603.5 6343.8 426.03 7175.33 6915.68 12767.87 3485.53 10207.07 7141.86 4628.29 1647.32 4693.42 7780.1 3614.84 6003.34 3506.83 4972.59 13806.85 1172.12 2344.25 4272.04 5054.83 1889.56 2460.29 8095.48 5026.82 2540.5 8871.98 4708.97 1520.63 9590.02 16523.65 3783.78 6404.99 6549.54 3505.56 12469.29 1494.52 3816.53 8703.2 6052.5 2249.5 9133.22 9229.29 7568.59 4601.68 3800.63 7597.45 4940.45 10687.98 9519.68 4984.65 5174.82 2301.14 6284.89 2852.28 5554.45 2841.28 1722.23 7248.3 16271.5 8462.98 6121.15 20554.38 864.31 2582.42 6082.6 530.15 5502.33 5441.57 10966.63 6537.48 7836.08 7897.65 7837.33 7504.47 7822.3 7838.49 4759.42 7772.73 7448.73 [3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI 1054.88 5107.7 7444.73 7209.7 5890.78 572.26 1782.93 581.72 1141.15 13416.96 2310.53 527.29 6252.88 12915.04 1999.91 5575.84 6177.85 1811.28 10272.7 1143.05 3555.46 1945.88 2442.48 2138.89 943.85 1992.09 2275.15 1053.67 2403.44 2457.49 2489.83 9933.66 488.56 3509.23 2201.53 1459.17 1234.86 3226.93 1260.38 1397.87 5227.15 2130.03 61072.45 20733.8 6866.73 5673.94 8855.22 6897.68 7194.27 10866.87 4978.56 1093.43 24388.14 5601.7 557.27 1057.47 4092.74 3312.54 2184.39 2959.74 4922.23 4244.66 6359.92 5086.59 1474.63 674.54 2055.2 6120.5 3183.05 960.42 1464.46 6330.85 1781.26 14751.76 11463.26 3423.08 3150.37 3587.11 3054.6 3105.77 3204.34 3425.66 3236.61 3495.7 Anhydrocinnzeylanine 36174.37 22767.79 4936.5 17782.14 67555.39 99756.79 7561.16 56721.45 72287.35 29979.7 13909.13 62762.93 55787.8 12314.15 15935.44 10370.8 2772.2 64623.66 16345.93 77969.07 13264.81 6261.48 10286.51 1040.4 3184.24 30891.98 1470.62 3650.54 41046.75 8244.86 49343.35 10029.24 5553.96 5416.65 3213.22 13596.89 13075.96 4067.23 1482.36 5226.96 76711.21 52415.77 3590.51 6165.85 63817.1 11515.17 53315.09 6455.27 29658.78 46736.65 28279.85 35134.39 5472.28 28199.75 14062.54 50407.14 3322.47 2009.51 46057.93 35161.87 3790.6 3083.77 54032.88 3161.88 10609.11 5728.68 99013.26 6454.02 10952.04 21487.56 56194.6 16949.35 2941.64 5621.24 5917.48 34943.16 33442.97 39956.49 34058.11 35057.36 34664.39 35079.74 33775.83 33461.82 (12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione 3037.74 471.43 700.81 2071.58 2606.85 2542.49 4210.62 738.57 1619.16 1684.15 762.68 4269.63 7576.13 1276.65 707.94 2678.56 2137.16 1373.1 4451.24 1350.93 1523.16 891.55 1266.1 1117.71 989.69 966.94 347.54 1064.44 1651.25 1517.53 954.06 2131.28 464.75 617.36 394.86 335.65 1518.6 542.9 1846.79 651.11 1371.8 430.68 1207.87 339.7 2615.94 2766.94 872.37 2092 1988.45 1472.3 2602.28 3123.99 6274.6 1331.96 1198.09 1394.81 5730.84 351.75 980.37 490.11 1908.58 10339.63 1842.72 2312.45 1008.57 558.84 1659.06 2862.19 991.1 3530.74 1272.17 1527.46 1718.12 2587.91 3253.38 2373.63 2373.75 2516.68 2430.2 2382.89 2464.93 2377.92 2461.12 2584.91 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside 1122.47 25198.34 8564.52 15333.16 2109.08 7644.87 5473.05 1179.43 977.01 2091.46 3227.47 1011.04 2769.62 19174.2 15776.81 8786.56 18145.34 9183.63 9952.19 13276.39 4536.85 3716.87 6822.53 1325.44 331.28 2414.76 820.33 2807.32 9599.65 1003.82 6270.22 8128.56 5402.48 6589.88 4099.8 613.85 3977.35 996.21 491.01 4492.55 1656.98 4793.42 15090.38 2736.82 4188.96 5815.7 16790.03 9454.04 2956.03 33470.07 1178 28093.35 2206.14 1860.19 1233.1 35966.92 8046.28 10722.44 6599.62 4123.89 2929.86 11761.9 15055.83 18365.54 26628.45 1304.14 30552.9 2594.51 1654.04 2071.35 8855.92 15200.2 5304.13 23165.42 17596 9406.29 10391.85 9764.38 9398.88 9635.65 9446.06 9385.42 9752.41 9778.98 Tetracenomycin F1 3584.55 2905.9 4653 2582.71 1512.87 2639.57 2673.24 3007.89 5685.26 1113.73 1473.48 2989.79 1185.27 2100.54 5457.36 4431.77 4489.47 10300.51 3303.31 13258.83 1996.15 7119.54 4345.43 1046.58 782.64 2705.41 1265.18 505.38 6143.66 2370.17 3997.02 13715.77 2906.44 3364.14 1297.71 1572.5 2886.38 4971.49 2387.52 3082.63 5187.25 4375.49 3712.49 2300.01 6998.92 4981.11 4340.27 8961.62 1852.68 5528.54 2155.94 4335.93 3569.98 3189.1 2602.77 3136.08 4357 3394.14 6384.35 4056.17 3283.37 1656.66 5454.81 3127.04 3106.17 2126.94 8735.52 1046.58 2559.69 2139.25 3454.6 4799.6 5757.98 2201.8 4032.69 72017.18 62373.68 53608.3 59665.87 58211.08 57837.03 73275.57 52229.21 54917.16 79082.84 46071.33 52134.46 52122.6 54912.35 40170.76 38556.77 59391.29 70579.05 103799.63 34397.0 25058.54 22417.04 44727.84 57533.71 5012.34 5434.61 4715.65 4968.28 4585.09 5018.23 4760.35 4855.12 5075.52 Ruscopine 29107.14 17941.11 9901.44 15271.88 32459.74 44905.81 35722.35 34859.47 36916 33033.25 39090.97 43775.7 39992.71 29295.16 28208.73 31340.46 20641.33 23457.61 38060.46 21567.87 23304.08 26717.53 21985.63 22886.59 21915.62 16621.55 16213.93 25349.63 19751.07 22328.93 14824.74 29764.3 15018.9 20304.71 15192.72 21540.09 30520.78 7175.78 31962.95 14594.57 41114.57 45305.6 28313.36 23809.36 30208.18 26070.1 25213.95 28228.86 18750.69 36358.58 24861.53 18899.97 26441.38 28279.25 24330.48 21055.08 10026.31 14965.08 25051.85 4238.06 22945.16 19816.36 16061.54 26779.75 25755.89 40648.48 36657.42 33552.82 27955.02 30792.82 28747.86 40605.41 28083.9 25626.01 26377.12 36099.58 37005.63 36220.67 35457.05 37231.7 36918.08 38170.82 35177.78 35178.46 2-(Methylthio)-3H-phenoxazin-3-one 985.48 543.89 557.89 671.38 808.29 2830.31 716.53 1240.43 539.52 537.25 1170.4 1998.68 1445.27 977.81 1070.1 2152.05 1408.76 1123.37 1013.18 1198.23 789.11 875.08 719.57 480.25 819.33 949.96 1059.92 775.12 484.96 981.22 1665.1 692.76 545.89 1112 429.97 845.72 788.47 587.12 1219.71 454.83 1211.33 1154.75 439.68 902.28 438.32 1786.8 1088.82 1239.48 693.71 1102.87 453.18 912.37 1293.69 1431.57 1253.98 1564.61 1803.73 760.62 527.48 1711.79 936.53 703.7 1404.14 1509.78 446.3 529.36 1528.83 1180.76 924.57 1059.09 663.46 720.92 773.49 1743.27 2364.95 1113.44 1225.07 1183.28 1115.79 1219.55 837.46 1110.46 1108.85 1085.05 5b-Cholestane-3a,7a,12a,24,25-pentol 14618.95 26290.37 31194.31 23990.46 49658.43 19825.58 20409.6 84136.25 47213.06 17554.69 36884.12 60117.28 30088.56 15652.44 71771.68 52099.66 42296.58 20495.16 63793.65 44497.92 66597.94 45197.29 39755.32 20026.76 42415.22 11519.13 14570.28 10668.56 65847.92 31538.07 15220.72 71974.42 74370.59 40727.2 8137.48 44465.86 36232.09 1352.59 7571.68 14102.74 47400.03 42246.53 40993.04 9666.05 36636.08 61235.72 80564.17 50972.62 37567.2 36729.07 20401.07 45867.73 26757.05 39488.92 81770.74 50690.35 21274.78 11454.7 95144.49 42110.63 14108.52 20907.08 68149.13 62388.92 34567.21 17860.07 57966.96 22576.06 14229.21 59451.4 37115.36 40337.13 22896.1 36814.72 43304.1 37889.99 39476.76 40072.73 39730.35 39398.93 40073.97 40067.33 39452.63 40290.91 Pimelea factor P2 28400.99 18698.49 4675.62 3175.82 10955.52 14468.07 12239.05 22148.58 12719.76 2677.45 27852.75 29335.95 13532.42 29876.15 21830.97 2790.02 8813.94 16334.02 15868.8 3135.63 17843.76 2116.67 12010.6 22524.79 23499.04 4646.33 10712.93 27976.48 17021.42 29866.19 20119.97 21222.4 9402.82 11334.03 21048.69 2021.82 45090.69 7393.38 24928.68 26447.03 8512.83 36432.75 27688.34 39174.09 17169.26 7677.01 15802.25 28972.98 41861.67 24404.74 36686.57 34820.31 20367.32 39307.91 10624.64 17051.75 17885.75 4447.18 21228.8 22899.14 33677.33 25519.54 20579.95 18768.47 29174.16 23290.48 6973.82 12761.97 26566.04 27762.04 12377.61 12946.79 49314.49 3772.06 15972.77 9715.59 8799.53 9648.5 9016.24 8128.75 9451.53 8380.37 7914.46 8729.68 Nebivolol 371.63 1408.63 2281.01 4108.23 370.27 5018.16 2041.2 1012.01 1309.82 2526.47 700.28 1282.63 5230.65 921.57 1222.23 529.29 1097.81 290.19 903.16 1428.9 312 165.19 1347.52 433.03 459.04 594.08 484.49 582.49 756.58 659.48 533.09 261.09 518.99 4000.9 544.88 311.32 711.3 220.72 763.34 208.08 207.21 1471.55 985.92 654.48 721 1542.4 1405.82 460.38 887.97 1803.79 561.1 5399.64 822.19 1136.84 584.64 1445.01 1882.27 2095.39 1495.8 387.22 3565.77 10288.48 829.16 1258.88 404.8 795.19 1886.96 1153.07 752.93 772.47 727.89 7015.76 716.27 6095.02 2528.78 3384.18 3461.43 3352.12 3451.7 3463.27 3454.07 3450.82 3205.56 3335.83 Vanillic acid 5451.53 3903.16 4913.99 5987.11 6474.63 7485.81 12263.39 2791.33 5568.23 5147.14 5008.68 2120.07 10114.5 4064.63 7407.67 6320.86 11887.29 7033.57 7717.81 5049.48 1803.26 3747.3 3916.58 3008.51 2305.47 1930.31 3107.38 2965.17 5112.15 1933.35 1380.09 1681.78 4096.55 3067.45 3776.54 1665.5 2549.81 1096.02 3609.82 2868.53 3096.31 4210.05 3946.14 4665.47 3080.02 18107.33 3033 6519.3 5140.74 4948.67 4194.95 4129.69 3595.29 12002.7 5177.19 4831.52 6536 3490.48 3957.51 5165.76 5259.53 5287.64 6253.24 6402.41 3816.67 5258.98 4150.09 6709.66 4219.07 3496.44 2456.54 5311.56 4292.98 7139.82 7855 5625.9 5739.72 5417.43 5737.48 6144.7 5674.27 5628.29 5740.62 5694.21 Rugosinone 22410.24 37649.83 41647.7 33664.9 2674.88 8701.75 18061.2 11214.8 1820.17 15623.21 26596.52 11747.62 23368.08 40743.38 11440.3 10345.95 43517.71 19265.81 5439.92 114926.69 21023.84 50265.75 56222.04 66323.66 39075.32 121927.52 95335.96 56341.85 42176.39 39388.4 13376.64 12107.48 48802.52 60731.09 56758.35 87449.81 36270 94331.39 73968.43 97603.56 12301.83 13986.51 56204.77 55581.54 8099.49 11055.72 14041.09 69895.54 46277.72 7308.51 1476.37 19859.9 53482.59 49457.17 11840.87 11578.96 48565.68 51678.62 7010.45 51922.46 55614.17 52682.01 61445.82 16115.92 10411.19 8229.65 17197.74 18632.53 14006.57 11024.61 19288.91 21565.91 18836.59 21335.84 18584.95 11181.38 11173.03 10015.06 9901.93 11508.19 11273.73 11189.19 10482.84 10451.68 coproporphyrinogen III 6072.18 9113.78 15024.39 17170.07 3855.32 20158 19101.66 897.59 2526.64 16917.16 16270.8 2159.48 18823.18 13461.98 16968.56 37141.13 42511.73 22449.53 37492.08 18240.18 5951.16 14397.48 7939.85 4876.86 1089.7 10875.06 5170.37 1068.38 21611.82 11923.04 4905.65 9331.61 11196.64 13960.88 12730.95 1605.38 1782.84 5212.61 6156.55 2658.05 19793.64 9292.94 14304.9 14982.85 1422.74 20897.26 24712.46 13563.59 11396.66 22258.62 2686.81 19658.57 20450.42 32891.25 7612.28 18602.84 10701.25 11544.22 12878.25 19891.28 15584.99 15565.94 1099.24 23883.27 21043.63 8114.05 10521.89 14364.4 16637.17 3653.75 8552.98 13527.31 2325.17 27499.07 24497.95 19025.55 17916.71 17940.95 18938.77 20349.71 18997.74 18092.04 17998.89 18237.66 Alisol A 23320.81 27952.37 38140.51 24323.46 6483.02 15220.27 8049.26 17388.17 23147.8 33246 36773.38 28364.56 13023.38 27981.92 18413.66 23551.41 16957.05 10577.34 38298.73 28131.48 26995.12 31469.56 42775.01 36286.39 11805.44 38679.74 16085.05 36931.83 31553 37513.97 24459.76 20860 19978.8 37636.44 32071.78 21673.92 22616.5 12189.93 50284.15 27989.22 15728.63 28215.62 44884.19 35108.52 18477.54 21917.31 23376.94 38649.5 36915.17 25939.63 14987.12 26182.75 41340.76 33619.45 13117.99 29364.2 23908.83 25734.9 13530.57 20963.83 23841.24 29065.21 24453.89 33147.09 28616.8 5267.99 29192.6 32985.03 27699.42 25723.72 3037.91 41035.19 22205.66 20042.84 28421.82 20038.69 20032.09 19771.98 20038.44 20762.81 19151.92 19891.76 17796.87 19359.46 Scilliroside 96601.51 122744.69 182649.06 14537.91 28045.09 145489.06 56229.09 139398.7 149704.26 210785.12 368295.08 261027.94 189987.03 222786.03 185820.9 339291.1 149276.55 195754.34 515550.03 226666.75 133135.72 124810.24 269681.15 250631.67 94559.83 94280.52 95992.11 202395.81 121618.47 207770.42 91587.16 308636.38 106235.75 166670.97 180382.36 74830.22 111551.12 36656.85 215032.16 90927.73 125944.64 113630.65 363981.55 252827.64 167637.05 139386.65 196192.47 346440.16 220824.24 352564.05 87960.25 144653.46 301759.72 140484.74 104179.88 141290.7 104656.28 203108.18 160167.7 14096.82 308071.36 241191.13 148204.1 455133.27 364771.79 112287.74 176713.14 283622.62 281810.43 134885.54 123895.92 282054.58 337150.16 303566.98 217387.53 209241.67 209271.63 207358.82 212366.39 209245.4 207344.53 209257.8 199729.26 207365.47 Thalicarpine 9557.34 1890.75 353.59 1896.84 25435.65 20008.04 1718.81 19463.12 22210.12 4517.15 365.14 11347.32 757.43 1799.13 35816.47 1485.22 1544.03 9303.84 772.97 2582.17 19209.78 1946.69 988.89 198.34 8544.95 15834.67 279.17 1309.13 11998.05 3768.31 21052.46 18123.27 13155.03 981.39 1384.46 7524.56 8122.53 1610.87 402.4 1149.64 29512.81 32589.24 183.45 1600.1 31138.71 777.94 5485.67 13315.17 1078.87 569.44 15322.75 17251.29 2641.57 1963.8 25330.38 10851.2 732.92 627.13 43158.09 16381.54 1401.22 455.01 39055.42 804.38 502.69 18045.38 6067.75 579.04 712.17 7657.3 8479.09 375.19 410.42 514.93 246.86 13719.84 13870.72 14106.97 13818.62 13542.26 13634.37 13841.88 13626.91 13846.76 Urobilinogen 12734.35 8542.83 5072.78 4290.59 11830.25 4251.96 6108.31 7313.54 5307.84 7760.62 18140.54 11152.12 13752.53 18361.2 6573.52 15304.49 6014.53 3121.56 10675.13 2378.24 3430.94 5321.1 15647.34 14424.13 11605.53 3387.39 7490.71 10855.28 3394.41 7457.32 1459.98 1691.2 2411.87 8282.24 9186.9 3403.74 9159.64 2461.84 16181.81 6453.57 5837.23 16963.39 12838.84 4196.89 9462.83 16050.92 1582.35 7303.9 7097.71 4985.36 16648.61 24381.99 24211.4 20632.95 9031.49 10796.32 4353.11 2974.45 6798.8 4498.67 9089.41 22037.2 12455.27 14839.22 4173.47 17265.58 11010.64 27315.76 8688.21 9494.18 2792.88 13845.69 10234.58 8720.39 12059.89 10215.12 8959.4 9836.33 9849.46 10027.19 8702.63 9234.52 8865.61 9849.53 Benzamide, N-(4-(1-methyl-2-(((1-methylethyl)sulfonyl)amino)ethyl)phenyl)- 16507.22 17296.57 14929.18 13106.04 27329.71 3520.85 21777.13 28220.16 14512.17 10902.07 14655.71 12662.63 4126.97 9139.97 33975.74 15559.75 3700.74 21927.05 2546.23 3662.28 13691.86 5154.75 8153.93 6373.66 14913.85 8932.95 2574.32 7072.25 35086.75 3782.5 9796.78 11026.1 15302.1 13876.27 5197.65 12507.84 16009.81 740.98 17430.07 6135.04 547.61 3104.72 15495.43 6880.84 11783.35 26934.94 22469.44 18693.75 1973.11 5448.62 16720.49 21249.14 16822.74 27261.32 16709.08 12345.04 9357.05 15117.03 22560.45 5404.78 9910.45 20328.3 15473.74 21051.53 9453.31 27782.33 2638.7 11485.94 13936.66 22269.38 16026.23 9863.53 12629.18 21533.81 23491.5 14579.8 14289.24 14332.1 14236.83 14589.95 14274.07 14790.76 14235.8 14349.07 6alpha-Methyl-11beta,17alpha-dihydroxy-21-fluoropregna-1,4-diene-3,20-dione 1423.03 6149.24 8072.01 20948.27 9326.45 5343.67 17051.96 1169.39 6654.64 1379.06 10529.24 6954.27 8084.33 8154.95 4048.75 13149.15 12073.1 626.67 1117.84 4972.46 856.62 1053.09 1937.5 7320.27 537.59 1593.06 1345.5 664.19 4666.65 438.7 3557.38 2708.77 3333.27 1045.77 3147.17 4056.77 1664.79 1766.45 8434.15 3717.37 4148.64 866.46 9892.04 13896.53 5056.72 10204.38 548.71 472.14 2927.71 6177.08 5830.07 8688.98 5744.38 2860.71 10567.92 9555.02 10299.29 9088.64 2529.89 3861.69 14060.59 9477.01 9093.61 8423.95 4104.42 4516.19 7058.65 7189.97 8348.49 3861.34 10326.62 7292.23 5330.93 6320.14 24129.62 8042.87 7642.9 8152.89 7692.58 7976.6 7997.46 7669.21 6559.98 7998 27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol 1008.15 787.17 2931.29 12554.8 4706.77 13202.45 5300.71 8115.2 17788.3 25938.69 18227.71 820.42 100193.22 21944.1 13746.12 5649.33 24545.77 16127.42 18337.33 17438.97 19579.34 5232.2 7039.34 5100.34 4650.19 7067.44 4486.02 6119.71 4691.45 6646.98 7652.39 452.5 6047.72 2659.7 8529.12 4340.63 804.41 15940.24 5169.22 17459.48 13585.94 9913.87 5019.16 32835.32 22219.35 15485.47 7093.83 11229.21 59099.62 2149.95 1357.62 4943.3 19738.41 15336.71 8824.38 19871.5 7620.36 14026.51 6865.07 31776.93 3693.84 14142.96 12498.68 67325.56 23981.79 6631.5 194844.82 25960.43 32491.89 3745.61 4000.01 12309.56 13062.4 95465.85 19287.57 18861.98 18211.68 13298.88 18351.85 18832.41 17163.56 16756.3 17040.78 16961.01 11,13-Dihydrotaraxinic acid glucosyl ester 24455.25 49364.88 11522.98 47815.96 11358.76 39478.68 2844.38 24550.22 28852.46 17024.87 36674.57 28254.15 48720.7 80672.5 68021.65 32929.69 36332.98 163641.11 76908.27 127137.26 12410.64 15323.84 10351.08 11504.91 2901.8 19909.96 5841.3 7009.42 49732.25 17962.83 66851.85 122940.6 7227.34 15405.36 9342.66 13580.98 9488.3 3008.33 10783.52 5808.37 64572.13 42811.31 20316.84 27965.53 107373.26 73628 14242.55 5665.56 35644.41 133474.35 21919.91 45203.79 24946.05 59455.5 17827.65 56630.23 1560.3 14405.16 12889.49 13214.74 13882.41 13346.65 24462.33 22423.32 24453.37 66736.93 84889.78 19100.53 27971.03 13945.94 17038.8 25912.77 17829.11 45755.76 41670.04 49884.4 50072 52235.45 51806.26 50795.32 53102.96 48111.05 50753.32 49413.2 (R)-2-benzylsuccinic acid 2122.77 11688.33 4424.75 3819.9 1657.13 8703.49 1509 997.63 946.1 701.4 1487.16 3408.98 21843.65 23427.39 7938.78 5282.2 4372.63 40653.5 7818.53 4291.37 593.19 1612.67 284.39 516.23 835.57 988.99 1406.28 364.64 4201.84 1572.68 2605.15 5068.14 725.39 1732.04 1958.61 1760.12 770.32 966.05 998.21 2353.98 1947.04 3900.22 4123.42 4751.36 1648.49 3519.87 5165.79 970.59 2480.89 18740.42 3390.89 19634.78 2921.74 9934.18 3780.98 22969.08 2717.6 6588.17 2494.05 2490.15 2073.05 740.6 3859.42 3395.17 3415.3 19913.54 16100.09 4525.63 5589.87 2345.37 1331.58 1587.1 2305.43 10105.7 4285.85 29844.92 28767.85 28605.65 28330.69 29246.54 30599.77 28909.36 29531.58 28899.15 29261.01 28754.86 29605.59 30620.06 30017.42 29361.69 26199.55 28374.42 29465.31 29917.48 30058.86 29498.95 27968.37 27800.96 29796.23 28040.37 6566.63 7131.11 7804.97 7081.95 5530.58 7182.21 7053.75 7094.92 6573.47 L-xylo-3-hexulose 65639.77 47398.35 95705.52 38350.21 67471.99 24490.89 33730.14 30327.03 23157.23 98140.91 28840.4 130339.98 208244.63 58863.69 42574.48 26259.69 35573.79 18042.14 101666.4 27963.35 71964.9 39854.16 69652.18 66580.31 83478.7 254112.53 203416.39 58971.63 68859.95 60942.27 28816.98 46499.87 17995.04 75499.59 41378.33 138308.99 31232.81 164119.92 30674.03 44101.36 105014.38 56271.82 33637.58 46962.42 45949.64 61113.23 17352.48 71780.32 131537.53 40218.93 53807.68 58555.83 66134.65 51347.07 51695.09 151732.18 92439.04 64993.9 39500.75 39034.31 231957.54 125554.65 23182.75 23804.27 8049.91 87039.28 91760.18 128644.19 80000.22 33807.63 9377.83 36694.94 28184.18 35494.75 128765.33 48553.81 47656.62 49871.08 47340.7 41820.93 48533.1 48729.31 47399 48775.38 Schradan 19607.95 12721.61 20236.28 32263.08 47282.61 28428.77 42114.74 45927.3 38380.49 27647.78 64046.46 119443.33 73346.09 40304.71 43624.67 71765.33 52784.27 47404.24 62324.91 93336.04 29255.47 26462.28 23144.65 32360.98 13079.19 16990.01 11999.41 21597.16 49686.93 28850.11 32062.58 58728.15 18070.32 28557.34 22813.06 33633.16 30000.61 5244.09 28113.45 23277 64642.44 42740.77 45025.12 32872.49 58911.3 30684.57 58432.92 45155.15 37157.37 70618.43 22075.92 22643.1 37065.29 44707.43 28498.5 31569.91 18471.04 25452.82 36872.1 37308.48 37946.74 31238.54 18723.91 16994.47 42451.24 42707.58 48038.6 41805.94 45538.49 36680.26 32277.19 39570.3 35734.16 45577.58 53214.4 56188.52 56587.33 59982.73 57562.43 56346.57 55650.6 58328.67 63644.34 56176.5 4,5-Dihydrovomifoliol 26459.58 30669.71 26929.73 19120.77 11457.89 7725.62 10946.06 32335.7 13373.04 19682.52 38910.77 9742.55 9079.29 39663.27 23052.66 8957.96 34182.42 7884.64 13205.74 16938.84 19380.85 27817.61 45167.02 34224.3 30629.56 35783.31 69794.13 27734.2 17338.04 56663.73 8635.25 29519.62 36245.96 35553.08 48634.3 63956.7 46590.7 37512.98 55926.83 73588.62 18606.48 21809.52 30412.29 33904.67 16784.82 22286.75 18186.34 31084.8 43965.78 9104.51 44704.72 22393.81 36797.62 37918.51 27556.96 13353.09 47598.79 45138.87 12294.54 16789.08 26604.79 35396.77 42661.86 24396.34 15671.53 9889.01 21704.68 20024.38 23821.49 14134.56 11405.87 28116.3 24421.88 17257.12 14132.74 10183.14 7092.14 10903.05 5754.12 8125.16 6694.24 6924.53 4608.91 5666.06 4867.83 5816.33 5540.12 5018.2 8025.35 7327.98 9140.87 12465.28 15930.19 7633.4 8694.92 9948.78 9198.67 9855.43 8041.86 9016.37 14019.13 10166.15 15313.74 15636.62 14912.68 12037.67 15104.13 15171.36 13136.6 Bacteriopheophytin a 4367.11 24861.48 40979.37 8523.99 3745.44 645.69 778.74 20129.57 32151.08 27014.68 17207.46 17403.53 10291.35 4509.35 22401.33 16794.2 40807.85 10357.8 33797.29 6142.19 35956.58 20397.58 62328.57 34454.69 39772.63 8993.73 23550.47 17647.99 39918.18 29869.29 4819.37 17543.94 40652.94 44449.21 22703.52 43286.57 33404.36 998.68 21749.48 7800.26 12226.13 11672.94 54178.22 6308.89 2868.61 10415.24 24846.26 19004.23 43804.32 16334.76 9934.67 32277.53 31588.33 40915.71 25766.74 15904.18 34179.33 23255.1 19613.09 2342.09 26408.84 26241.81 25973.72 36597.8 34384.22 8027.26 17259.74 16323.07 7067.48 20732.28 28380.76 30471.48 21238.78 13482.78 23811.71 26947.56 23712.67 25244.23 25533.31 21070.08 19481.81 22156.06 23090.61 24203.53 23200.07 23801.34 29448.1 29332.26 30744.99 29622.46 43746.3 31009.65 37656.9 43568.83 35529.28 32003.4 32407.57 38734.14 37925.64 34600.96 17805.25 16781.78 14092.09 18012.71 16979.97 17839.13 18953.1 17870.56 17853.38 Aspidospermine 9476.34 1880.2 3653.93 5546.73 3236.08 1480.95 17106.32 13325.75 2613.23 11731.24 6350.7 13904.13 40190.31 8340.1 3372.56 14879.4 4961.25 2352.82 14760.23 1517.05 5089.94 1627.07 12314.99 4357.12 2860.42 701.81 4465.83 3725.9 4003.48 5214.41 1881.98 4616.78 2329.88 5536.89 2481.02 8348.43 4364.12 534.78 13750.02 1870.93 2955.6 4035.55 5428.53 6023.1 4393.6 8883.01 3535.54 4220.83 7870.87 9379.22 2416.07 2463.07 7294.91 4979.37 4133.75 2364.42 7614.38 3028.6 3702.88 1043.19 4862.32 26601.13 2427.77 4394.18 1023.06 3527.48 3501.31 21112.35 5134.19 4387.48 1704.23 10481.98 4290.6 3924.6 14836.88 7107.86 7345.59 5539.51 7264.02 7238.88 7241.43 7507.23 7302.38 7363.67 3-Hydroxynonyl acetate 4213.27 6928.67 7710.27 5501.96 2179.37 1912.49 8322.3 4315.52 5023.06 8589.27 3830.64 6928.31 3172.18 3773.88 4767.58 5102.26 3471.66 9264.17 778.04 4401.33 6076.36 9407.58 4704.3 3557.15 4740.51 4621.08 7234.98 5356.2 2192.71 4553.79 7219.93 4611.36 4989.33 7738.85 5444.45 4020.1 4961.57 10246.38 3460.2 9340.7 6296.33 13753.56 1576.76 8306.42 3640.44 2653.96 1011.17 1701.34 7004.35 5691.59 6537.03 1836.32 7053.12 5017.15 2341.34 5195.05 5907.15 6344.13 6599.42 8380.49 5049.06 7874.52 7164.81 4887.5 7480.49 7269.48 5494.13 9991.58 7235.93 7337.77 6878.4 5630.95 6255.31 4572.15 3347.09 5827.17 5935.78 5732.77 5742.21 5902.45 5963.91 6012.35 5987.35 4230.68 2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 45272.49 8966.7 868.16 1258.38 38020.92 1508.94 4116.08 46282.8 30261.51 12961.4 5470.9 46832.51 9635.07 16275.81 22041.8 21632.3 13133.07 45304.83 31723.08 23167.57 33334.37 987.06 3207.4 1055.43 42299.79 9162.93 3384.53 19600.55 32878.26 49898.1 47920.34 17838.29 5583.12 1109.18 1099.15 45133.17 29496.91 1078.84 7277.08 7103.3 94360.03 73761.83 4151.38 7324.99 66960.81 13014.86 41926.66 13012.84 25507.1 29463.28 40885.28 9873.65 4462.13 8423.23 35804.96 5911.68 1949.79 1674.37 28897.49 7843.57 4171.47 2746.72 11132.73 2515.42 1921.03 45298.02 16664.33 30561.64 28715.83 31493.38 20653.07 29227.77 30818.44 4505.39 8419.49 29572.32 31926.31 32186.33 31091.96 31928.34 31630.89 31848.43 31258.54 31259.44 Ureidopropionic acid 17608.3 17167.12 7225.24 13612.35 19767.09 19966.74 16258.43 22072.97 25556.53 17434.33 5242.6 17028.98 14658.2 16242.8 18765.42 19436.22 5414.77 27194.64 17677.99 23333.79 10799.44 9887.44 10248.73 4447.5 12073.25 10138.9 4162.11 9342.85 20472.84 6784.19 13023.17 20215.35 13382.83 9821.13 3041.49 15322.48 10668.86 2457.57 6281.23 8030.97 21397.72 44983.24 21556.75 15468.9 24135.44 13630.81 24435.16 19980.05 13017.69 23574.96 11900.87 18496.38 21358.33 18644.24 12548.56 18203.94 8224.26 8240.01 21428.85 10758.69 14315.23 13899.74 18850.57 23456.32 17879.75 19894.37 18190.24 14794.48 16453.37 16854.32 14049.31 16386.51 16148.39 25461.97 11384.27 6248.82 5960.11 6245.46 7008.64 4976.69 6724.82 5433.59 6583.42 6729.08 Prednisone acetate 6460.78 6739.56 3990.7 5453.95 1098.05 15359.24 912.37 2591.43 4589.47 3301.08 2182.82 4254.51 6642.17 1514.95 6982.24 1613.02 3197.81 606.72 1921.13 8598.92 6016.07 6134.43 1211.23 986.2 459.8 2212.39 1724.48 2465.92 5819.69 1610.97 3320.86 2827.79 6179.39 1123.63 2135.21 1123.09 1923.11 1377.25 1114.01 2098.14 855.93 2495.33 3237.54 1705.8 3742.28 1097.02 3692.68 2219.25 1191.36 4154.17 454.58 4025.41 848.01 2404.71 1839.17 7307.17 2052.53 2318.45 4419.36 4800.71 440.79 683.08 6378.32 5750.54 2599.72 7394.22 12090.64 4933.75 3957.17 2630.97 9109.54 2533.39 2039.01 4073.18 5981.83 3373.64 5149.02 4996.05 4706.28 5037.99 4209.3 5033.39 4746.6 4744.31 2,2',3,3',4,5',6-Heptabromodiphenyl ether 1096.65 493.81 449.61 3464.83 2344.39 1375.44 3317.64 1665.59 5025.96 1426.38 1735.03 2022.63 7360.56 3962.64 2704.6 1947.62 2792.27 3425.97 926.36 1855.55 384.9 506.54 358.74 785.14 1057.86 1480.3 919.67 872.78 365.47 875.15 344.77 432.96 823.37 311.78 615.41 392.05 395.92 223.27 202.54 200.5 383.87 3629.69 851.99 668.71 1326.55 5729.44 1341.26 1051.06 2164.57 1547.02 5791.08 336.65 1743.84 782.64 2664 2735.1 252.77 769.5 1873.65 1124.62 1308.05 634.83 1129.25 580.36 979.03 3018.76 2203.42 5293.28 1083.22 2173.33 3619.31 2816.33 1604 1561.23 5269.07 3714.25 4264.49 4229.87 4447.06 4170.29 4183.56 4132.2 4801.75 4374.03 Nemonapride 619.4 1249.09 514.06 5690.77 20310.08 1222.05 12326.04 2015.93 932.54 2122.89 805.04 5313.35 5052.44 1670.95 6233.8 2581.46 413.8 3851.27 706.91 3906.92 1469.23 1800.01 1079.96 754.94 1606.38 1004.36 421.48 1088.42 6510.54 875.2 2019.57 582.29 2601.82 1435.14 452.63 3581.16 571.49 616.56 2045.26 1551.63 2738.91 2093.44 921.19 641.69 1388.71 22760.16 4793.24 4633.45 3316.61 2624.16 3119.21 1276.19 995.12 6691.42 3030.26 984.88 899.58 1548.65 905 647.81 826.13 3664.74 1733.87 2702.95 1211.9 8356.52 2629.04 5472.9 1546.23 610.76 1690.32 1413.47 2579.99 4871.82 4554.26 3754.9 3587.94 3724.5 3553.98 3579.33 3750.77 3861.8 3583.94 3553.68 Anopterine 3387.12 2970.99 1613.93 3923.99 529.14 1001.36 1109.55 2355.65 3339.12 4225.86 4501.82 5989.73 4155.18 3772.59 5828.85 2588.39 7886.23 1851.36 5655.77 762.38 1435.03 596.45 2387.16 796.26 2137.67 647.47 1019.81 1449.73 2912.32 875.77 1373.36 746 3294.09 2571.33 3079.72 1204.16 352.25 502.54 3725.46 1387.47 2912.22 236.76 4305.03 6780.48 4805.41 4654.55 6852.59 3714.69 1668.88 3463.28 304.07 5451.3 2004.23 3039.36 2425.5 7231.14 1823.08 3336.15 928.14 4645.8 3387.2 3086.32 1170.24 4948.94 4080.98 2670.21 4566.19 4298.34 2068.99 1452.42 6653.95 7693.54 5109.28 7462.86 7617.13 7119.7 7231.05 7404.21 8214.96 7401.94 7397.78 7150.14 7403.41 7400.89 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside 6740.09 2058.04 1502.6 1258.72 10964.65 8456.39 3480.12 12271.53 3342.68 4105.38 8587.6 8807.74 10231.35 2405.84 8638.77 11643.78 7075.95 8000.52 3808.96 10356.23 5020.96 2749.19 2480.32 2245.67 5400.87 3673.81 2615.88 458.46 6609.85 5957.43 1461.3 15932.47 7742.11 3763.79 3869.06 6371.86 4530.18 1720.45 4669.56 1675.63 7464.17 10797.58 3671.19 1727.04 5345.87 4801.73 1818.18 4962.06 15911.97 12247.17 6759.26 4440.32 5155.1 8142.04 6234.46 5678.04 4519.88 2582.78 8576.51 7118.91 5261.42 4220.08 6152.66 3664.93 4957.98 3169.32 6831.31 5915.4 9996 5313.84 9310.53 7189.3 2868.77 3358.6 8180.49 8226.51 8183.17 8022.32 8220.33 6862.18 8227.48 8233.7 8020.93 7818 Lunacridine 60439.31 42791.65 33316.33 1639.7 18183.83 49343.98 1615.72 116163.95 67801.93 75390.11 81884.19 121283.02 23463.29 132428.4 84247.85 120574.12 42105.49 46782.1 132220.88 99769.26 98428.87 135759.54 51959.33 43195.74 67888.13 42211.02 54916.6 27292.23 138902.74 123242.92 67024.65 165751.64 74677.9 45150.72 36272.62 96194.64 70865.46 16374.17 49219.81 25432.46 39944.08 73226.98 68030.56 51514.77 68522.96 14904.41 63982.51 64071.92 92801.71 108887.13 53778.48 71295.6 71354.52 36813.52 48956.91 86776.28 26462.08 62668.46 93510.61 50669.35 90613.95 86473.78 49202.89 72492.56 83143 36424.44 89375.52 84218.31 81256.8 85894.71 55619.35 103629.98 79716.73 54985.66 61657.72 98124.79 105147.02 98017.62 100546.49 98157.63 108269.4 105029.09 102057.74 100135.42 Absintholide 24520.09 12577.03 31975.15 10756.4 3201.09 15831.38 62252.16 23927.42 23099.02 28095.71 12713.09 30800.19 74786.9 30883.74 19644.71 10178.68 21673.27 15234.01 43308.32 8473.7 13041.15 11959.84 46621.58 46483.44 23141.82 28509.56 33025.96 43558.14 19667.71 9483.96 6934.26 23666.82 10982.62 46786.82 58158.51 29161.16 40608.52 8380.1 42609.37 39564.31 131940.94 30557.82 17898.93 27981.2 17991.21 72976.59 30327.1 25059.58 25660.27 16164.6 27454.06 27658.21 33726.58 30028.86 19846.25 14886.26 21104.06 38046.42 5885.02 16451.14 36641.48 34105.28 28201 24785.41 17812.86 20353.15 9650.01 43049.1 28418.72 37037.09 30097.33 37885.92 31874.26 27661.94 29619.86 15751.64 15295.74 14783.92 16199.35 9338.39 15224.95 15884.52 16730.18 16347.56 2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol 15715.96 10385.04 699.82 4247.15 10996.74 11566.08 6326.78 18391.81 19297.1 15530.85 6083.16 11780.88 2655.72 3676.96 16232.22 10983.47 6432.7 26999.11 13982.73 20681.75 5262.3 1333.81 3223.23 3373.48 12819.25 9253.6 5399.07 8171.74 8825.3 4515.95 11946.31 14010.65 8937.24 1614.51 740.94 17228.5 11151.83 1620.55 5775.43 4379.65 16750.65 18231.1 2499.03 4885.12 25034.61 1517.92 21989.96 12333.47 12523.22 14889.02 10880.38 8537.07 7012.53 3449.69 14992.05 3918.01 2888.98 3140 19579.25 3283.07 5680.52 5211.71 7954.74 7127.8 8080.73 17370.32 8392.5 14553.36 15315.81 16982.4 19387.91 14218.86 9820.31 2553.44 2222.4 13514.83 14308.69 13878.55 13887.1 14306.46 14343.8 14489.93 13820.27 13867.88 Semilicoisoflavone B 2265.33 5713.94 4400.38 2169.9 1501 852.6 2372.56 2747.25 6252.36 2568.08 11022.3 2439.08 3253.94 16032.93 2928.28 2076.33 3977.32 2347.97 2846.14 2424.57 1233.47 2460.72 7305.43 9011.18 3374.93 1949.67 10748.79 12275.62 6121.47 6031.9 3621.83 3136.99 2401.25 6017.11 8352.27 1346.92 3446.06 2733.43 8125.93 9444.82 2152.52 2206.56 8547.51 5357.75 1713.19 2768.88 6353.47 2762.45 3901.63 1452.58 2375.74 3493.74 7872.01 8667.25 6139.87 4698.79 9644.83 5931.04 2239.73 5361.7 4924.57 9248.12 2354.03 8288.89 6592.67 6687.03 2005.06 955.64 5288.6 10271.92 2459.78 11291.99 4487.84 3038.94 2376.91 2916.61 2895.08 3054.1 2887.36 3115.93 3162.62 3078.48 3017.83 2992.93 N-{1-Benzyl-(2R,3S)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide 1175.93 9594.01 13726.42 21541.1 7572.28 21377.52 9656.9 2636.7 10202.23 12762.06 25487.7 4753.94 9547.42 7343.76 17413.67 21506.62 30276.28 11066.6 38887.22 26856.83 8175.18 19418.77 8027.93 7407.36 7404.21 17863.07 7352.62 4152.66 27700.46 19081.56 1379.42 5849.6 16560.68 15501.92 13856.87 3034.05 1624.99 6631.4 11727.5 4603.39 12244.88 5251.37 17157.43 22106.16 15983.91 17710.23 21114.11 13210.55 13111.88 15649.97 8554.93 16732.65 20365.77 23762.07 12724.19 19691.88 7107 8924.34 18829.16 27685.6 18600.03 14881.24 2231.33 21902.74 23067.1 9039.07 5624.23 19146.58 20806.33 5030.43 12949.69 23738.9 6947.12 27926.84 15307.1 15327.93 16251.02 14154.88 14565.71 15312.43 13563.9 14528.18 15664.42 15911.6 Nummularine F 70548.86 37737.83 44758.06 57680.46 25291.54 14473.54 8223.5 49510.59 67945.05 46215.04 45160.5 38777.6 48051.27 39684.1 73825.19 39949.53 55738.75 23559.1 98122.94 36144.4 40848.86 15956.29 54637.39 46690.27 55868.94 22967.57 50717.07 36655.65 74579.25 15613 6383.04 39713.12 31444.29 43795.42 40282.08 50688.53 39912.3 2001.78 46212.7 22550.08 32411.48 43899.92 54812.04 29995.02 45700.12 40425 55174.89 49947.7 70113.8 28342.46 44646.89 43383.43 46505.27 45040.74 45619.92 40400.08 32788.54 34717.95 35805.9 5941.78 49555.05 42166.37 55467.74 50818.09 41689.5 46739.63 57905.07 51288.72 29284.78 9322.88 61488.6 69776.24 43333.08 35602.85 51580.78 42864.49 43453.78 44115.22 43736.1 44183.45 43663.43 43892.94 44100.12 43426.7 Dihydrozeatin-O-glucoside 3933.73 2467.51 943.26 2006.19 2837.23 2937.95 1455.02 1869.51 3520.93 1567.51 5064.15 6984.37 4761.49 4027.01 3616.74 7259.6 1686.15 3859.78 2881.75 2670.89 3376.63 4260.95 1500.69 3504.44 2868.21 808.71 1490.15 5061.02 2196.31 3129.49 920.67 4725.55 1020.73 2571.87 1054.59 1421.35 2168.68 1338.59 4826.76 1082.02 2876.73 6999.73 2227.94 752.38 3289.78 4513.08 2500.21 4776.16 4248.33 3576.84 4497.13 1010.32 4019.07 3525.82 1482.63 738.04 1307.94 985.35 2223.62 2307.2 5552.39 1799.09 2697.51 1491.26 891.45 2243.43 4947.44 6627.53 3503.45 3582.94 1583.02 813.09 7497.8 737.79 923.47 2119.86 2595.66 2222.62 2307.3 2205.78 2085.64 1874.92 2388.9 1427.65 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole 1952.97 1789.23 2492.32 1034.76 2575.57 1713.44 937.86 3344.26 1085.2 2674.13 2299.97 6839.18 13727.88 5730.12 2789.92 2903.33 2063.59 6945.47 11853.69 2172.65 2683.8 2494.56 6494.31 2184.63 2417.44 1371.2 2300.56 1993.01 3292.39 2902.24 2148.32 27246.66 1801.61 3164.3 1910.83 1570.81 2013.52 754.4 1832.71 899.14 1142.79 3936.56 6036.53 2014.73 3700.76 2895.35 1547.14 2176.22 8018.92 3636.05 7237.43 2873.4 4099.07 2790.91 4224.09 1874.96 1310.37 1808.19 5550.97 2778.72 4580.76 6014.72 2703.73 3527.24 2270.1 3548.76 2016.42 1456.63 1826.44 2496.99 1762.64 2239.88 2632.06 1657.2 2458.42 3028.83 2923.12 3042.76 3149.92 3152.45 3122.47 3095.05 3140.26 3132.88 Gabunine 8062.24 3124.24 2012.81 573.58 10536.53 3607.2 2841.43 11274.37 4837.54 1332.97 4884.81 6392.54 22534.25 6515.88 27417.67 4757.19 6346.44 10725.46 16759.76 24367.13 7199.55 2748.29 1850.05 1438.4 2739.65 2505.95 1225.38 3102.38 6061.88 706.35 3975.59 4065.34 3548.16 1442.83 1462.89 5718.25 4125.63 1634.59 1813.68 2653.72 5530.62 8233.32 2365.54 4519.69 8663.56 4586.83 9932.99 6866.19 2312.52 9924.44 6930.35 9791.72 8605.79 6217.17 9618.56 18644.53 8702.93 1458.46 12551.99 2140.06 13659.23 17262.41 12544.57 4962.38 5035.43 7645.86 7661.03 2674.54 870.54 14021.14 7730.15 5493.82 5512.67 4880.75 13883.29 8384.61 8567.68 7482.65 8496.74 8516.92 8646.28 8391.9 8407.92 8459.23 6-Hydroxypentadecanedioic acid 3891.08 2454.78 2454.4 7402.7 9963.95 14764.89 13270.21 6853.39 4620.9 5822.4 3900.14 2136.41 9896.95 4699.16 4405.74 1933 1601.85 4643.37 2988.92 1999.54 3730.62 2426.71 2705.9 2166.92 2452.77 2523.5 1217.09 1990.03 6287.83 1507.04 3972.96 3484.54 1091.68 2811.04 1842.62 1204.14 3755.51 1988.3 1220.83 1920.4 4582.59 16044.87 4033.26 3651.84 7044.43 7188.04 3617.52 1522.77 2473.5 3793.82 6819.05 3166.56 2981.17 3509.26 6422.8 2994.64 1880.32 2050.25 4117.83 2798.35 1187.48 4001.04 4389.86 3921.32 3345.96 9322.2 2310.06 5469.24 1469.29 3665.38 2900.94 3827.35 4194.13 4594.14 5456.98 5482.91 4880.48 5125.69 5289.53 5320.27 5230.06 5233.94 5100.12 5305.65 Zizyphine F 472.07 1563.26 2953.6 3842.9 4964.94 2597.31 875.34 5502.06 3285.09 1641.26 2193.81 3608.95 5921.27 1281.14 4593.06 7393.74 4352.84 2998.87 8543.86 1388.35 2340.6 489.16 3387.08 1694.24 4231.01 722.02 1276.26 1189.82 1570.11 1530.17 984.28 2705.76 2189.55 1954.03 714.44 2354.28 803.09 909.53 2418.44 567.3 629.3 975.49 4180.94 2544.52 859.35 2118.41 2966.6 5629.77 2898.14 4871.68 2930.69 3532.71 5195.72 4668.97 3030.55 1596.29 2575.48 1957.41 7300.57 2122.59 4527.31 5600.25 2480.01 4255.27 5466.86 2850.42 2771.59 3477.55 2394.69 4925.75 686.55 1915.74 2333.67 5504.93 4490.81 4030.63 4024.11 4067.3 4171.33 4230.61 4207.92 4251.4 4218.72 4076.16 Pyronine Y 16477.88 18666.48 11378 26726.78 38350.46 39618.12 29631.86 6700.32 18525.75 49955.07 19006.26 29841.1 30406.34 15716.74 25233.75 39595.11 23804.62 17833.39 34250.94 41068.38 14332.56 17428.64 12958 9607.99 12515.3 11314.52 6837.89 7482.97 23349.3 13276.5 14693.49 19498.12 13601.35 11705.85 9585.51 2958.57 14733.08 5230.26 14712.53 7926.61 31161.9 17693.62 17709.22 10736.95 36640.19 29170.15 23858.91 21103.86 17440.57 35359.45 16372.59 19483.75 16533.3 20727.64 13971.84 19823.84 4243.04 10594.11 26731.07 24575.69 16073.02 17001.22 17422.46 18892.71 17495.76 27906.2 25210.04 17903.6 19956.44 11491.72 24270.96 26551.6 19773.56 25854.38 22288.09 22845.79 23967.02 23990.66 23919.02 23925.74 23621.44 23771.97 23210.78 24051.49 Demethylsuberosin 645.22 965.15 1129.51 877.46 2971.46 8194.32 2345.82 3194.62 2850.11 1174.28 291 437.59 1109.77 2676.35 840.9 718.79 2501.49 434.23 611.03 1341.04 567.63 1003.34 880.98 958.94 1190.85 398.32 520.63 1061.78 1211.39 412.56 497.4 3104.62 345.82 685.35 591.63 1021.6 253.35 392.78 718.52 519.12 466.66 1741.32 1458.68 2320.97 302.02 2334.19 998.24 1171.22 649.2 7352.6 324.67 391.94 737.28 1581.25 621.93 366.06 1303.15 1143.96 549.8 2068.74 662.5 733.05 1082.46 1132.39 415.93 293.05 1338.91 4664.2 1195.83 514.69 1776.75 251.23 975.01 1202.41 1332.27 1749.1 1566.84 1981.86 921.45 1228.04 2190.17 1809.88 2007.85 2466.19 Piceatannol 3,4'-diglucoside 4211.28 19231.18 339.64 1198.7 1214.15 16906.19 689.36 6747.17 10943.54 2441.39 551.35 3465.51 1007.2 576.29 2574.03 3730.6 4304.97 5825.68 1349.46 28408.03 2613.89 3816.15 673.18 294.85 1553.83 2702.36 1457.42 1523.49 1050.94 505.02 2213.63 3757.58 19723.72 786.36 981.34 1728.01 2869.51 3290.44 1928.54 718.3 1186.96 3617.7 2849.78 2344.63 1203.59 2945.13 8124.45 5995.32 587.39 5560.03 2632.16 2444.37 2956.33 840.68 3514.55 33396.65 577.74 2181.7 11266.25 6751.57 1163.91 641.81 13535.34 3765.97 2147.14 390.41 18379.3 2518.46 2758.04 12044.19 24362.06 1427.84 4262.84 1443.81 710.32 3056.31 5143.14 4537.18 5578.31 4668.71 5038.58 5076.19 5194.28 4935.38 Prifinium bromide 11014.09 1095.89 1307.99 7534.82 17767.73 5109.05 21374.77 32802.4 16951.98 7166.3 5639.84 7816.92 8111.28 3197.57 33345.18 14230.92 3270.26 15391.03 1099.44 8733.61 8277.48 3692.45 2632.51 2708.35 8008.12 4980.02 1983.35 3221.76 8553.12 4703.27 6375.98 307.99 4457.4 2407.67 1909.24 318.64 6557.01 1067.47 464.05 1612.77 12080.14 14955.71 1129.54 468.64 13421.73 18898.92 12641.03 727.88 3330.95 4268.7 8138.57 8128.81 5825.35 5651.78 10585.68 7673.44 2095.48 1684.78 19111.11 3602.26 3442 19048.37 10172.3 15912.46 3454.88 26839.13 757.6 7197.3 2094.24 15427.61 1312.89 2597.32 1517.32 1391.24 5538.49 10414.01 10652.47 10978.46 10972.49 10755.38 10536.14 10956.67 11115.67 10590.05 callytriol C 15155.97 14213.21 14823.97 43321.1 19884.29 22965.22 45107.84 22247.43 18399.85 26910.3 18757.68 23266.92 49251.22 19996.4 17684.64 34025.17 22307.75 37600.27 38024.11 35183.42 8235.41 7976.6 10411.74 11123.33 8608.47 6799.52 8325.86 8341.56 9065.92 18181.94 5954.52 6769.25 10695.04 15900.63 9693.81 7997.02 10522.54 5135.54 15197.16 11194.72 20548.46 17054.64 11548.66 28035.88 24467.73 11273.95 23719.94 15422.52 11498.09 54787.53 12979.77 14576.12 14615.39 12270.4 17592.49 13107.48 12395.22 16845.66 21112.25 20656.93 26818.33 22376.9 21432.6 22979.75 20074.56 19750.25 40954.34 19357.63 19723.51 21380.48 19002.1 27068.62 16795.58 33400.56 27586.96 23816.65 23831.5 24637.57 23890 23832.69 24357.79 24343.99 22125.69 24326.11 Dihydroxycitracridone I 3042.93 6291.39 3549.81 5718.28 20894.89 7446.92 11269.41 11957.04 2937.65 9543.27 2624.87 5183.3 11518.36 12536.08 8224.57 7645.79 5191.69 11988.38 2706.59 8362.1 2490.49 11260.45 1321.69 1120.95 4125.04 3870.14 790.52 4380.17 6478.08 249.9 3378.65 2589.9 4256.55 681.46 275.88 9068.95 3827.51 2324.35 1431.6 595.16 5758.89 4524.02 2806.57 7169.7 1481.95 16729.52 4115.79 4751.62 17264.93 3650.12 7112.53 4714.68 2479.04 2760.18 7628.14 8611.93 2614.3 310.64 7971.9 11627.98 2581.91 5576.84 7808.68 3011.95 3512.11 10207.49 7761.22 18775.27 3237.2 7772.36 7131.22 12267.46 2512.4 5274.68 6395.33 11897.89 11837.85 11861.99 12074.18 12366.45 11941.99 9532.38 11847.32 12303.7 2alpha-Hydroxypyracrenic acid 5800.93 3664.3 4102.54 1422.83 2952.26 1021.18 2261.32 2842.63 2872.81 2662.88 5664.5 5966.45 2918.67 3553.27 2740.42 4992.53 4539.81 4573.56 3519.47 4452.4 3607.06 937.32 652.09 1618.19 486.55 1186.18 1841.07 618.06 1931.71 2516.09 2651.42 2447.53 1473.46 1770.68 2341.84 1621.09 1363.44 1668.71 858.02 3357.17 1443.2 3297.9 1168.56 4106.58 5813.26 2248.76 1091.23 3427.46 1857.9 3690.75 626.19 1657.67 3083.28 1542.11 2567.67 2922.47 3219.5 2962.29 4870.3 7193.95 3746.42 5952.33 4187.69 3179.82 4152.29 6360.55 3150.19 1522.91 4869.12 7735.31 1842.12 5161.92 3356.44 3121.23 3537.61 4435.93 4333.9 4528.58 4362.31 3601.42 4068.59 4184.27 3803.05 3806.3 (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone 46415.72 54528.81 74513.37 13632.31 18248.73 71574.01 4699.11 69769.03 63718.3 87598.84 148396.45 107654.29 79247.85 95395.75 91721.05 107931.38 65261.2 106768.75 214502.48 100410.98 58071.72 52404.31 103194.99 101006.2 40111.61 46593.78 38842.54 81162.61 56326.4 83060.51 56068.16 131334.19 49010.62 75065.69 67637.63 41321.35 50151.85 16155.25 87035.14 37584.91 55339.44 27429.77 146264.85 102167.98 65923.87 64162.6 79184.33 138961.96 85287.81 174158.79 40989.54 60505.03 119459.28 75704.88 50726.76 62798.93 43490.68 81518.35 70418.06 7161.85 120996.61 106478.91 72038.8 208385.2 147349.58 57212.9 103158.24 115942.79 112362.06 66961.2 53320.52 115951.35 167741.47 125571.95 89741.08 93024.52 91655.27 94270.59 91668.69 89148.95 92267.87 91118.39 91057.17 91096.55 (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol 4718.51 7346.47 1940.89 4929.46 2035.77 3692.67 997 1445.54 2000.62 1653.24 1888.36 2832.88 6511.51 7104.43 6492.2 3071.93 3859.17 12231.02 5844.15 5860.57 1000.25 1774.8 789.93 1084.11 510.11 1209.25 508.49 465.3 2515.3 1466.87 5029.82 9014.87 2039.51 1396.78 1350.95 1628.98 848.12 1047.07 928.51 610.72 6603.63 5582.64 2268.23 2757.98 10500.36 4733.01 4288.09 1617.09 1949.34 10909.06 4079.09 9086.39 3468.51 4117.37 5144.23 8093.96 1712.57 1808.51 1247.69 2039.48 1236.88 1048.98 4536.6 2484.1 2585.35 5367.44 12554.1 2536.94 3427.41 2094.48 1409.82 1224.53 1438.56 4006.76 2300.02 4135.55 4073.89 4039.63 4041.5 4135.52 4306.45 4140.21 4037 3823.54 N6-Methyladenosine 11485.82 3169.12 13726.15 7640.66 9915.89 2153.06 8401.27 8768.71 9306.49 10201.79 11403.77 13521.11 7493.65 10749.17 11039.26 11340.04 8897.03 8671.09 7679.08 7493.51 3345.99 2747.76 6845.01 9552.12 5710.02 2650.44 5703.18 4985.22 3802.64 5793.73 2315.75 8094.09 2523.5 6296.71 11302.66 2215.21 8882.56 2714.23 9527.21 7962.7 9371.64 8694.24 8396.57 12964.68 6958.28 8661.75 4047.82 5064.57 5275.33 6495.2 5852.34 8914.95 11549.29 9413.99 11584.05 8315.91 21388.95 21282.51 3731.35 1071.36 21653.59 8723.4 11353.81 12475.38 9027.59 4781.31 7434.86 10845.62 13356.13 6775.12 8695.73 4947.36 11896.48 16835.87 10207.49 6786.92 6650.73 7030.35 7203.43 6993.24 6948.08 6994.41 6596.44 6558.7 4-tert-Butylphenyl salicylate 9367 9876.77 10337.48 12995.96 13960.14 16193.11 16605.29 17534.58 17062.16 25105.56 20125.38 16188.17 15621.98 18391.61 20894.4 20561.42 21484.25 17250.17 19630.46 17753.25 18028.95 14326.88 15114.88 15624.81 13596.6 15163.36 14222.33 13362.08 11700.43 12650.7 10402.07 13708.76 15649.2 12113.61 13795.67 13287.96 13518.03 12746.72 15325.43 11605.96 12453.15 13896.17 13646.06 17001.97 14003.46 17635.68 19558.65 18275.28 18536.2 14067.88 17436.59 14156.67 17026.98 14440.9 18073.52 17175.9 15868.55 17544.87 18745.31 20480.88 18205.38 18995.2 19922.84 20180.77 15887.76 15427.27 18738.99 19488.07 19176.86 21973.19 17554.83 18530.95 19014.53 16846.02 18763.55 20991.09 21472.83 19388.54 20922.23 22164.42 21095.99 20946.24 20966.71 22134.8 5-(Hydroxymethyl)-2,7-dimethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one 8786.2 8048.44 17238.28 28816.84 19700.74 7045.2 32474.21 13078.64 11741.62 21906.89 37773.1 53346.54 45647.62 32328.07 14449.33 45717.72 30607.05 14808.24 54793.86 13611.54 11511.8 8119.19 23664.09 20266.82 8958.39 4947.69 13131.03 23098.4 11690.55 27004.44 5004.64 35361.3 5669.89 19815.76 18103.01 7722.94 9640.69 2817.97 27237.48 13781.44 20787.59 17246.34 29693.27 27237.73 19829.47 35998.28 16327.94 31525.57 21553.87 43402.25 7617.14 11083.37 30060.92 32896.43 10291.8 7414 16546.26 15916.09 15002.18 10223.17 24471.74 29907.56 11332.09 33738.37 32587.51 18694.89 18713.26 34482.18 38439.06 12619.12 5477.82 31039.14 29612.29 32760.84 36074.52 25239.79 22719.25 24624.29 25190.12 25416.76 24587.73 25439.66 24566.7 24738.59 Kandelin A-1 18924.07 1027.46 13053.17 27613.6 285883.31 14118.09 45959.04 27449.14 11294.15 6231.24 842.21 16163.68 58046.03 871.88 17237.74 97283.66 24041.26 54716.17 12032.9 21085.27 30815.12 10308.04 16052.61 12645.82 13213.67 520.79 3875.23 6493.75 66570.56 13596.67 1534.56 8712.99 4454.36 5787.44 5618.2 4890.35 6450.47 906.57 7608.77 7288.27 66060.87 46893.11 16013.74 309.64 6190.58 91360.4 7211.29 19066.3 26716.44 74201.26 25528.49 1187.16 5921.03 30502.91 67411.26 277.5 11110.31 401.81 44537.08 5597.53 21318.53 7175.04 18445.2 8035.61 379.61 59783.37 12356.08 42185.91 13248.54 6921.36 13032.72 13181.45 5532.64 31741.89 73598.46 36570.4 36573.74 36493.97 36840.03 36833.19 36828.58 36732.09 36147.88 36486.43 Octyl gallate 2475.95 1977.4 2123.51 512.57 1877.41 433.19 1810.58 4852.87 4463.72 1100.53 1650.18 2347.29 1946.33 1829.3 3787.69 4415.92 612.23 587.88 685.3 6770.22 2216.11 1757.87 2427.61 790.05 1572.25 945.74 1393.94 1390.66 1241.3 1819.95 1356.81 12150 2361.83 682.79 2590.48 2379.03 2035.93 987.6 3231.15 1100.45 2556.97 2004.92 2729.09 2581.02 6184.23 1149.1 2134.45 900.91 1331.46 10053.09 6012.3 2378.07 746.68 1113.33 2627.87 1216.26 1165.98 609.08 6209.33 1167.32 674.4 3084.19 1228.21 3532.87 2242.31 4661.13 1291.73 1356.43 4372.44 6184.44 4170.58 4618.61 2737.56 538.99 2918.86 2296.94 2304.1 2143.41 2020.75 2300.49 2409.31 2320.48 2159.43 2244.92 Sophoramine 12020.15 10228.2 17627.46 16133.18 8619.12 7911.79 13731 7751.98 8599.38 12055.43 14985.42 19498.19 11882.69 16105.8 12197.47 9611.45 20445.21 10543.59 14479.83 3973.59 16255.07 16475.78 20102.09 20563.26 15249.6 15800.87 22938.02 20318.78 20884.19 23561.25 14723.6 11808.04 16924.25 20029.08 32492.71 19441 21806.34 25095.86 18226.94 23927.84 10289.48 18751.81 15194.6 21082.47 8591.81 11857.76 8559.45 20531.72 18254.33 6116.86 18246.66 10317.96 17762.32 15673.71 18482.98 13425.96 21400.06 35334.51 11089 16255.43 11277.15 13394.86 13524.07 15931.47 11824.07 7473.62 7501.57 15804.1 6385.67 11146.26 11053.44 14739 13110.71 11407.03 16342.4 10604.06 10430.31 9342.76 11159.28 10337.08 10184.07 10183.84 10222.71 10232.22 4-Hydroxy-3-methylbenzaldehyde 2636.24 4340.62 3338.81 2692.1 2349.43 1085.52 2960.13 5683.11 9599.45 3378.53 5897.63 5400.71 4486.43 3570.61 1827.82 6292.21 7078.85 11467.03 19622.97 4407.68 1685.63 1664 2609.96 2350.88 2614.76 6046.61 3536.3 4502.18 1420.99 2007.58 2612.84 1315.95 1214.58 762.05 1829.55 1760.56 3974.63 1260.22 2140.42 3679.93 1733.84 1457.96 3754.81 3056.09 6840.06 8145.03 1721.38 6399.9 6069.03 4305.93 2200.94 4425.68 2852.67 3561.59 4586.26 4164.81 5275.36 2785.23 644.99 1172.36 2939.89 2435.14 5837.27 6878.06 4599.92 5550.34 11155.92 4388.72 1300.52 4373.87 5187.51 10153.22 3879.41 4263.1 4992.17 3667.54 3585.01 3575.19 3628.53 3761.34 3546.44 3093.19 3535.08 3665.6 (1S,4E,5'R,6R,6'R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,15-trihydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione 17406.52 455.39 23833.76 1321.35 877459.35 706784.81 190503.27 1215.78 1115.69 50450.73 436.92 1377.63 1936.81 1253.91 1328.19 698.56 36209.87 14479.73 28576.41 614.35 15401.63 1112.8 700.96 19671.89 11185.06 26721.34 16892.75 25753.48 14543.7 6916.1 628.47 1118.44 814.32 460.61 18229.93 17731.4 13508.89 15597.61 19181.95 20757.87 94742.81 25974.79 22789.4 771.91 446.2 384.68 1153.78 750.37 483.9 771.19 1042.94 1750.88 2440.11 1131.04 4196.03 30620.61 40197.27 27951.49 3164.21 1781.22 29513.81 25486.15 2327.29 483.44 18432.33 27926.6 755.23 21588.78 29938.86 3011.64 13082.53 55813.06 1452.62 23396.92 38334.13 19887.1 20655.44 20329.58 19105.79 19755.74 19658.84 20526.91 19983.31 17804.29 4,4-Difluoropregn-5-ene-3,20-dione 559 390.61 346.23 195.12 678.65 595.44 692.09 3715.46 729 2105.49 1206.25 942.77 1458.94 5156.59 3696.35 1925.26 684.65 28132.59 8942.16 1620.94 995.48 1299.81 229.89 157.75 2839.91 1777.74 351.32 537.15 360.51 178.65 708.77 7632.18 2007.62 776.59 181.29 2080.79 295.48 361.05 657.17 154.23 189.27 1267.23 2305.3 1864.33 5232.5 1165.57 3525.41 2369.47 2721.88 6545.87 2299.5 5033.03 1399.48 576.74 1380.64 5606.42 199.78 550.01 5216.41 216.2 839.38 174.82 2502.34 2798.14 3193.97 370.08 2813.4 951.67 849.28 4099.48 430.69 1161.14 4178.71 811.43 514.16 4161.04 4449.54 4678.12 5225.01 4381.05 4807.61 4785.25 4470.58 4458.38 Pristinamycin IB 1608.14 5264.18 9191.99 914.99 761.62 5897.89 6991.99 2987.61 1328.53 18221.84 16967.69 4642.54 1799.58 4679.02 16103.97 3244.68 43523.03 4864.66 6145.31 4626.17 5224.74 11685.24 1828.15 694.67 2688.97 2474.98 1604.01 2607.61 2509.04 1531.22 2078.47 1173.04 32780.97 2683.33 2211.64 2841.67 2472.33 9188.29 1118.06 895.45 4619.01 7412.82 5010.75 20822.86 3076.82 10134.83 2500.21 3426.05 4785.67 12621.18 9504.5 16044.26 9308.78 4148.49 5015.45 36019.02 2099.4 1264.73 5000.86 4051.37 6301.76 816.75 6945.09 2364.43 3307.02 3891.88 17037.77 15840.37 15046.25 4631.77 2244.82 9133.54 5811.15 4839.91 1865.46 8637.48 8577.16 8262.43 8505.36 8773.22 8613.85 8594.74 8633.27 8048.26 Squamosinin A 17807.27 12094.53 4688.95 15421.42 29048.78 45004.55 7314.53 12037.96 5174.72 6985.17 6605.12 11471.18 14730.05 20474.95 21251.32 10746.15 12976.29 25871.83 18123.98 5271.8 6237.79 3644.03 2134.48 10698.29 10512.81 6164.56 5167.77 4505.97 12149.21 3739.48 3697.94 23299.15 3958.33 2799.38 5843.47 12603.33 11212.42 1043.91 1561.1 6155.89 5671.98 18579.37 12866.25 11801.89 11950.4 16039.7 17015.51 11587 1125.92 16374.39 7002.24 8401.66 8899.49 18586.06 16806.91 17879.95 7587.2 20300.22 12086.64 2225.36 13711.94 8356.19 10795.35 6687.17 9805.22 20482.67 1832.48 9079.76 19285.25 10038.7 6878.68 16384.23 6530.89 16582.19 16044.94 10287.98 10359.29 10289.95 10232.15 10680.07 10170.93 9824.99 10342.34 10215.54 Nudicauline 1109.46 983.01 5236.71 2443.58 3362.16 4059.48 1128.73 1876.55 1509.99 1215.76 3076.24 4862.61 1126.43 1701.68 7158.94 17786.1 27231.89 14393.33 32618.22 1782.71 1174.64 540.78 3222.93 3072.71 1396.42 652.03 1282.91 1736.84 35591.3 18646.89 788.65 506.17 1365.16 6297.48 10084.28 427.97 2229.69 341.05 1140.72 1885.25 1633.45 3983.23 14839.33 18691.52 5225.43 2508.69 9145.97 17480.48 6316.36 7269.76 781.55 1065.7 14046.01 10337.92 929.42 281.54 2603.38 9891.81 2106.25 4403.89 14290.05 6131.34 2094.98 18830.01 18961.75 3389.15 1737.91 6892.27 9152.06 3922 1216.76 8859.45 3161.83 21936.96 6893.81 7430.85 7094.54 7067.39 7402.09 7468.22 7358.12 7385.24 7279.45 6238.19 Histrionicotoxin 7417.72 6904.7 2445.07 8511.55 10618.45 13941.77 8189.89 7700.82 7835.19 4844 7555.72 7521.29 2788.02 4497.01 14936.79 12747.52 12332.37 13222.28 8816.31 12153.66 3924.6 3776.63 1898.21 2475.29 2748.41 3538.84 1729.19 1009.59 702.75 6011.48 2126.36 7095.06 5954.27 1345.12 2239.6 2486.64 5642.31 1371.18 2699.4 3840.7 11358.86 3047.89 4013.02 6285.72 7065.82 5763.08 9121.08 7063.19 974.88 7223.36 5974.15 5558.6 4117.09 3981.48 8691.34 7263.7 5495.48 6519.89 13373.65 9646.33 7464.01 6099.76 8489.05 9960.23 12040.01 9089.43 10183.38 4337.47 6542.09 8971.24 11853.71 8279.63 9669.66 11341.86 11018.85 9784.33 11112.64 10146.59 10353.61 10263.25 10338.73 9765.08 10061.64 10149.91 Chenodeoxycholate 7-monosulfate 8046.77 15804.87 44948.99 55212.3 21878.24 20261.81 27911.91 15072.54 5988.64 6499 14422.25 4644.15 1236.06 3832.81 1814.55 22378.04 85739.26 10260.74 5024.53 13584.72 10815.75 10256.55 18749.59 3003.65 2004.23 5895.15 3771.29 574.93 2759.1 2343.68 4810.89 6381.26 1151.73 2717.66 3053.96 1569.01 9888.45 603.87 6637.05 3136.34 1287.26 6535.49 11357.72 13307 30090.05 8934.11 10372.99 6451.88 3059.88 10741.55 4592.28 11246.26 6894.24 2873.68 23858.99 6032.04 5030.94 11802.44 19975.93 4541.17 114332.98 19674.22 22184.74 161848.92 24093.41 9625.85 4982.34 3921.21 74589.57 16231.9 25808.32 9965.02 26168.06 146386.11 4175.95 14950.51 15567.92 16753.16 15617.48 14556.57 15749.29 14713.06 14738.62 15715.72 (S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid 2771.19 2367.65 7488.22 9570.29 1633.92 1353.18 1352.24 2380.15 3984.22 3974 1370.58 3449.01 5621.16 2774.99 2571.08 2361.34 2863.47 3238.21 3522.75 3253.8 2323.09 1552.42 7432.01 8783.83 3562.02 5201.93 8387.78 1492.99 2710.3 3245.23 1927.81 2225.43 1791.79 6442.49 5504.99 3725.46 2060.95 1190.9 11080.88 7685.69 1892.29 2853.01 8079.21 8560.47 2533.3 3324.59 3215.84 4505.99 1011.74 2702.75 1276.49 5480.52 7406.96 5196.62 2866.81 7343.21 8509.18 6158.86 3203.82 4786.61 3973.01 10711.51 3521.4 1339.69 4471.19 3359.61 2656.82 4544.53 1874.68 4122.66 2731.56 4144.78 2195.8 1206.54 3709 2760.31 2618.78 2625.83 2861.51 3059.74 2789.94 2776.4 2792.69 1358.53 Elatin 4727.28 881.84 790.13 1779.11 19520.27 20217.48 11478.67 16760.08 11351.94 325.8 337.53 8588.86 1881.02 1737.08 18948.66 2695.29 1711.85 1955.98 3675.56 3729.62 12991.4 660.38 1381.61 863.6 3495.64 8638.62 644.75 1004.63 11457.64 2581.97 9488.56 3539.58 6753.64 777.32 818 7997.64 2977.4 908.01 863.66 1494.74 19715.7 32725.79 1346.7 1201.49 23616.55 4347.9 5561.9 12558.43 1240.67 510.36 23070.12 6865.04 1201.58 1550.08 25576.36 4161.9 330.52 982.82 16764.67 974.59 1375.11 1904.82 23191.42 5060.27 1751.7 3783.25 4581.48 1294.76 1399.75 4173.7 6972.71 2267.12 422.21 634.97 387.5 7857.84 8177.94 5797.71 7876.79 7812.2 7519.14 7141.03 7771.71 8045.54 4-[2,2-Bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol 1495.66 1095.95 1012.27 5037.36 20791.96 5184.12 10231.62 1777.92 7019.48 4359.5 5907.27 8446.85 18891.35 3824.37 4266.89 17136.49 10819.81 3415.75 10353.41 2800.97 4993.97 2063.91 2129.31 1368.48 3052.49 1429.75 3638.88 1140.43 5346.88 4322.79 2695.9 12009.26 1057.16 5382.76 5143.82 2592.02 2714.97 1111.81 918.95 811.76 5201.07 4238.77 4774.22 6552.4 3490.48 8287.77 1894.86 1032.74 6341.96 11486.5 5450.17 1564.07 4577.03 8274.25 6380.86 3907.88 1477.77 3928.6 6158.65 2507.8 6991.47 7484.92 3191.68 7530.12 2926.52 3753.39 1365.57 6402.01 4890.54 6070.23 3324.19 7274.2 2280.6 7810.38 14766.76 6061.12 8173.45 5857.57 7508.04 5875.46 9093.36 9858.09 6573.39 5315.47 3414.51 5429.07 7146.0 6096.05 6898.45 6582.14 10913.49 7056.54 8301.89 8039.64 9833.17 8419.81 7747.52 8124.97 6283.73 5813.11 6245.95 6467.21 6834.36 6338.36 6689.89 5097 6698.33 6718.97 6338.63 Dehydroepiandrosterone sulfate 7784.21 5876.78 3503.73 9597.66 2547.21 7080.68 798.09 2969.52 4006.72 7981.35 7047.4 24626.83 6199.22 13132.5 4404.11 19556.28 5888.84 1055.41 11279.23 7370.12 12555.52 18463.3 14724.84 15050.83 14388.58 10995.21 7795.38 2534.38 17423.19 13049.97 13249.85 19082.32 15681.41 10942.05 13977.95 9626.2 12239.92 8864.29 5754.64 2999.66 1689.89 15267.52 11671.05 5662.42 11551.56 2482.95 4626.17 7881.03 31608.71 4457.7 24092.76 9805.87 14697.32 3307.71 18165.41 8506.09 12553.15 7107.41 4468.16 26831.62 15789.19 20502.8 14227.35 9106.51 5397.49 6192.74 3074.65 25380.12 6937.72 8636.7 3661.24 12593.77 7093.39 4510.69 18687.7 16504.17 17888.44 12208.6 17820.72 13988.55 14396.9 13265.02 12972.35 10676.96 18647.78 15708.69 15896.23 11585.91 16410.86 12699.8 11631.41 17371.61 11484.24 12934.5 16465.23 19080.15 20928.02 12201.19 20741.57 14530.53 6444.28 6814.11 6107.71 5898.65 6793.81 6151.52 5609.88 6512.8 6443.22 Acetoxyparthenolide 3016.02 1318.09 28761.03 17075.18 6844.79 7119.46 17501.97 10091.22 11376.6 6159.17 19326.13 25459.05 27548.36 16434.52 4638.22 26600.41 20837.81 6705.9 11614.26 9638.75 5469.9 4771.17 27188.04 6752.61 11771.9 4731.44 15254.24 11643.42 1869.83 21675.62 1636.5 14249.3 7085.6 15996.01 10782.06 5321.46 9678.78 3673.27 17217.38 12490.72 8332.57 876.55 19888.31 18102.84 4307.88 15492.55 6987.21 23512.06 15688.23 20778.79 4717.02 6117.97 19801.75 18337.94 5910.19 5221.61 14548 11840.19 10703.72 4897.21 15979.03 17884.62 2140.07 18750.23 14928.1 12621.31 7593.5 19239.56 17996.72 6305.91 2730.63 12918.22 16932.27 11160.33 21504.91 11066.89 12881.27 6660.82 12705.26 11503.72 10467.32 10822.69 11502.32 10574.89 (1S,2S,6S,7S,9R,14S,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione 7369.55 10830.3 2802.6 4289.34 16058.87 2348.88 5255.44 9142.09 9727.83 4532.92 858.79 15222.09 16380.91 8364.3 16246.35 8063.22 967.54 22896.75 18384.09 34402.24 5711.09 583.74 370.79 5632.15 4288.83 3169.9 1111.31 1262.19 11022.6 5746.36 10881.96 9942.13 2250.18 2197.32 538.59 3694.01 2950.11 726.02 2501.98 1197.19 42027.37 19146.99 944.36 4354.24 20174.43 3194.95 17425.88 2161.96 2953.91 13826.91 499.57 4754.47 2702.63 4070.04 19595.95 16197.16 2685.75 480.88 4810.93 3227.67 3859.25 2298.44 3698.89 316.38 3753.46 15791.16 20680.91 6340.99 7112.1 5918.91 3466.05 1609.27 4670.84 4835.52 1648.99 7229.43 7785.7 7789.14 6815.7 7052.37 8005.07 6834.44 7873.38 7894.94 Cavipetin D 23263.73 10269.07 22762.33 9024.94 5229.06 3429.17 5744.6 16571.78 21161.04 16722.78 21047.33 9059.82 23363.91 14044.27 3412.41 14905.29 7214.49 10391.31 32941.51 17766.39 10513.57 2906.96 7822.35 16713.13 14381.91 2962.18 20601.83 15146.78 5730.91 3688.75 8832.09 11120.79 4686.45 17437.81 5604.46 8100.55 11980.68 610.36 19100.63 6208.28 14919.69 20841.4 11102.5 32013.79 19749.83 16152.91 17105.19 4194.17 21338.84 16739.68 21471.95 6753.79 5705.18 11192.49 17231.29 11083.27 2444.18 5282.41 8966.24 4574.8 6259.06 11100.73 15055.83 1361.9 1175 22855.04 12848.07 29323.2 10196.69 17336.85 19041.92 20079.9 35477.1 7760.34 15542.28 13931.15 14392.96 13458.3 13098.45 14335.75 14396.3 14429.44 14212.36 14642.2 Maslinic acid 3-O-b-D-glucoside 12844.41 6629.74 10080.54 7806.73 1379.99 11196.89 8125.78 24725.54 17080.33 16553.26 25955.84 17725.39 36474.05 17993.07 10560.14 25169.42 15968.58 2531.68 46491.14 1048.47 3253.62 5283.65 18898.47 11127.66 7845.44 5614.04 11271.52 9063.04 8466.45 2391.4 1574.62 20896.69 1796.9 10752.8 4593.08 10252.87 9401.13 1048.09 20438.64 3756.67 9733.07 11333.72 16313.27 14366.06 19347.93 14607.91 14254.64 12981.61 18901.79 52149.97 6949.41 9583.64 13640.99 15687.03 8647.67 12278.95 7968.95 4628.19 9519.35 2038.18 18004.7 26348.28 6586.76 5947.83 11096.45 18345.33 5631.83 27907.23 20246.72 22943.24 13393.79 31713.85 20750.86 9390.74 41051.13 15131.79 15357.7 14712.46 14766.1 15371 15364.74 15791.16 13374.57 14799.5 Bilastine 9431.51 2709.47 2337.24 5189.05 14741.12 2780.12 4720.41 13833.9 7282.72 4237.64 9029.39 9429.95 3712.34 12991.65 5019.26 6815.59 7844.3 1842.71 3855.95 7917.76 8749.12 2851.52 4965.79 2228.94 3454.93 1619.66 752.54 1917.74 1098.19 1964.92 1144.17 4586.45 1684.74 4986.55 4638.22 8058.33 7184.64 1097.87 6350.7 2861.38 12000.35 7510.11 4664.46 5743.53 12881.46 11788.38 5780.75 5869.87 4988.83 15680.68 13878.02 2375.45 10118.84 8788.13 8385.56 1772.74 1614.46 1843.37 5975.94 2049.07 13436.79 3119.5 5745.15 8085 10429.35 4319.97 3108.04 2466.32 12299.53 12330.49 4856.09 6180.57 5932.52 3443.45 4991.49 7575.69 7118.97 7527.86 8370.92 7138.97 7661.17 7523.66 7198.53 7211.34 Phenol 703.09 626.17 1418.38 3108.56 13033.95 10418.45 47624.96 1811.35 928.15 462.65 1259.87 37605.38 8653.67 1629.31 364.7 42140.51 1878.12 277.46 165.01 215.4 4834.5 157.6 695.46 803.17 1107.54 323.16 3160.17 1367.98 402.39 651.53 237.15 255.83 124.73 1534.26 1523.36 117.7 261.02 434.33 4723.9 642.53 1061.29 3520.52 712.57 1183.16 449.74 66063.15 241.62 201.36 1839.61 1367.5 1046.89 5917.84 11387.29 3476.24 1430.05 162.18 1966.39 767.68 7014.66 8235.34 1034.42 31836 1291.23 1399.59 340.41 1398.36 1454.89 1705.15 960.54 873.73 264.85 1086.24 583.42 2594.5 15248.36 6420.1 6458.25 6457.91 6458.06 6421.39 6443.82 6421.23 6414.61 6459.07 Chrysoeriol 7913.87 1922.44 8888.17 10805.6 7507.93 3311.9 5081.54 7167.47 2852.95 3537.58 11297 5284.16 15869.09 11090.65 3019.15 14032.15 15583.56 5766.25 2189.73 11288.41 3453.34 3515.48 6906.37 4393.4 7162.51 599.92 1517.97 2735.9 7747.74 4028.11 3017.44 1498.23 940.61 6309.38 5128.53 3075.89 8742.69 805.39 6304.86 4300.96 697.56 2775.66 9336.73 4239.63 7192.78 10044.57 7740 1754.25 4733.92 11079.33 3733.56 4734.95 9761.7 14434.19 4528.27 2637.08 18105.83 13484.89 1750.57 4212.78 4759.51 6334.73 2126.94 9091.3 8760.72 1811.71 1396.09 5092.41 8305.21 1539.8 8291.8 5324.79 6125.12 10190.09 10018.32 2870.55 3460.6 2028.19 2190.46 2183.42 3159.4 3145.76 3050.16 3345.45 1577.26 2717.07 2258.09 2988.94 2423.68 3420.73 1861.42 1465.63 2165.28 3375.45 2417.54 2388.9 3415.85 2516.62 3122.55 1982.97 6798.91 6770.06 6394.24 6779.81 6798.4 6692.23 6437.6 6769.21 4222.75 (+)-cis-Isopulegone 6176.27 1219.74 2683.05 868.52 2687.97 585.19 1338.97 2701.38 2172.19 993.51 2105.68 1850.66 4728.43 2394.67 3058.81 1789.86 2053.73 5026.36 1044.36 1310.21 1565.38 1976.51 742.48 1199.62 1305.49 1291.98 938.61 1150.17 1115.15 463.73 777.2 6599.41 606.37 4400.56 3964.33 911.44 4962.28 534.12 1657.38 1967.55 655.71 962.81 1354.15 3091.21 4082.78 4275.79 6090.49 790.99 624.97 1899.53 760.58 1205.97 2665.42 3207.68 6102.09 1520.54 2418.4 1250.82 3634.4 867.31 3841.13 857.68 14274.34 2667.92 3463.95 5938.55 608.15 2098.62 5224.47 3314.82 2514.16 535.31 3537.06 1474.2 2117.23 3104.94 2481.2 2902.84 3163.91 3154.32 3165.45 3625.22 2964.23 3080.98 alpha-Ketoisovaleric acid 18713.86 7406.22 18581.67 37960.69 11524.04 8192.83 18536.63 11668.3 13080.97 4393.63 24477.82 13758.84 15917.54 24976.34 8728.19 11471.38 13855.04 10516.7 9698.11 1795 13118.84 1438.15 11818.48 12700.19 5016.38 3053.81 6034.9 10004.82 1931.52 3317.07 4813.37 5514.31 1128.51 12663.44 9572.83 3993.18 10851.48 3018.34 46874.25 5446.38 2877.64 6312.02 11049.65 36040.48 12979 67665.82 7977.77 3998.65 7587.46 7243.25 28629.72 24390.25 16700.02 21502.57 26535.91 8372.74 14992.87 11535.26 8115.04 6627.31 20820.11 19053.96 32015.24 10572.48 6127.12 21347.63 13491.69 13257.67 17482.56 16696.95 13470.53 8413.72 44902.5 21883.15 35159.94 17343.98 17328.46 17213.18 17101.48 16982.44 17214.22 17163.02 16786.37 17100.17 Filixic acid BBB 1835.17 2429.52 4090.12 3772.73 6052.6 1577.96 5783.71 6262.79 3658.04 3256.07 2409.51 4299.35 2877.99 7676.46 3255.64 5692.49 3178.01 1432.09 2786.96 1533.23 2201.78 1605.31 1909.46 1143.32 1627.1 1001.79 774.25 615.25 1967.93 873.56 1592.46 2280.55 428.54 1294.19 1928.82 1375.31 1955.19 1829.96 430 4569.72 1811.66 696.52 3038.44 1712.16 6617.1 4726.48 4449.36 1426.85 900.71 2059.02 4160.97 1856.96 3939.69 2077.25 2045.43 4334.34 1651.39 3085.79 2886.69 3140.09 661.96 3680.29 2667.71 5064.44 3465.12 2076.82 3706.29 3466.5 4608.87 3372.69 2059.82 3467.45 2062.03 448.85 726.8 3292.79 3306.42 3780.95 2888.28 2949.52 3272.32 3073.03 3138.26 2942.22 Terretonin 36670.68 25935.18 514.5 1391.13 7498.47 13771.45 3184.53 35339.22 43147.77 26740.58 17456.84 25600.07 803.75 17590.84 46298.74 18012.2 13558.06 36258.44 31122.36 35728.41 22112.78 10649.88 6066.39 10107.4 31981.2 18266.5 3222.06 12798.06 30181.88 2355.73 31478.84 23400.38 26735.73 4827.73 4538.73 32071.24 20201.36 1733.72 8978.91 9259.11 31612.04 54236.79 11582.03 7091.23 41239.42 5173.03 63809.47 21131.43 14127.33 50061.8 14735.12 30772.14 6974.58 5209.05 19882.15 24525.13 1376.87 2955.88 41715.23 966.74 10334.13 4717.05 21095.61 11099.63 19516.82 28764.46 37782.81 17918.51 18597.71 37286.22 30300.04 32341.91 23381.25 5859.13 2546.82 27001 26466.82 27004.18 26496.69 26498.38 26434.44 26522.24 26433.61 26885.07 2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose 15238.73 45177.64 30653.85 35029.13 9533.24 7908.65 12819.86 10419.43 12676.11 2511.3 27987.28 13977.88 4033.9 21735.79 22595.03 40269.46 15282.54 13096.57 1977.2 50011.72 80294.54 7828.61 11928.59 48450.97 6849.66 16247.38 1788.4 11893.81 8720.92 965.36 63472.68 16266.13 5177.45 12402.6 39400.87 3604.29 44147.77 7756.02 22147.48 33189.29 1874.54 16298.79 12988.39 14180.85 17911.94 15852.68 47820.46 10430.26 7460 8818.53 5049.3 21574.97 27328.78 40129.82 3039.67 22067.04 36419.5 7506.72 41110.71 186733.58 27626.64 1121.11 33127.61 35029.63 30312.31 13675.66 51217.67 12048 37809.34 33193.14 13635.02 21793.17 24453.5 43848.82 43751.93 18021.86 17970.65 17755.4 18157.73 18474.72 18322.97 18928.53 18530.56 16811.75 (3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy-[(3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone 326845.37 284800.65 410998.72 331972.94 1251620.04 471657.8 330231.14 403683.93 358653.73 769481.1 504754.12 1203008.63 932861.49 803822.08 644749.32 818967.21 415140.33 1506985.82 1410237.72 90550.84 404150.5 531309.75 574659.99 426640.96 601689.28 419381.79 403580.67 222223.73 499624.8 188546.06 136181.29 1232430.3 444836.62 500203.81 429572.6 383167.05 475388.47 135718.06 273062.38 242124.2 96829.23 623791.57 530634.85 379667.73 965195.85 642388.79 202823.6 368351.53 854058.63 687857.85 987393.08 840578.43 886355.72 540608.09 1298793.83 594969.19 342217.88 422511.57 928157.47 544072.91 830992.75 831931.09 1039612.43 883800.42 374532.9 1328420.19 312765.44 647868.39 397882.01 517042.98 120244.97 802166.49 350389.79 404775.68 484458.71 624623.33 632585.91 625017.89 624655.32 631758.79 628919.77 626108.27 624601.1 627690.18 Desmosterol 411775.88 244566.37 242369.75 428001.96 132592.69 208707.63 236195.95 222092.55 247001.09 332245.27 263734.24 215940.9 202311.89 390176.62 335541.11 193193.11 374138.46 258204.95 302803.89 247726.12 190334.93 251551.08 242613.85 284848.92 244125.19 232627.86 223556.2 248505.74 326183.57 280783.84 202579.72 175394.72 242681.7 240166.36 290666.79 260140.07 274612.74 147207.45 401659.18 292878.47 262921.69 169450.48 346728.01 402570.36 313006.41 280304.74 264190.01 239641.01 237461.82 185842.87 169223.48 289998.25 299353.93 288958.5 263026.42 306890.91 271879.36 415229.18 330255.66 291932.9 352115.05 347653.06 277699.74 264122.8 250070.39 259468.15 271395.14 316060.93 334789.08 257657.41 269479.14 429676.14 293053.77 274445.27 267281.15 272746.18 269103.55 269128.89 265743.52 265097.65 269354.25 265813.83 247848.07 268610.41 26-Hydroxyecdysone 58402.09 52387.52 74439.73 59407.99 20065.03 4490.77 42195.04 31831.42 49365.23 63497.14 29027.32 37275.7 29773.53 36694.49 75347.83 33035.06 50347.67 48554.99 53347.1 46823.35 50945.88 16954.8 77423.29 57655.35 59932.27 25591.11 69145.04 47149.43 49850.19 12438.92 30260.84 53454.39 50611.09 48087.72 51266.34 50192.54 51819.55 3424.63 53267.49 29629.28 23363.92 63631.71 41724.62 48944.47 49608.06 40198.63 42618.98 39473.01 31565.8 37914.76 46816.49 51085.98 37826.2 43791 53846.32 52475.43 49754.91 51294.04 43721.43 21008.08 53095.73 60890.16 56296.35 55577.66 33987.17 51758.93 29419.98 45425.01 34811.64 51220.3 78075.08 76186.54 63377.4 45344.07 42044.35 36503.21 21295.19 35568.22 41510.69 36881.58 35057.62 36090.03 36370.44 34814.6 Tirofiban 6360.93 2555.97 4629.33 3289.09 6387.33 1337.81 1630.99 2825.78 1907.67 2011.62 3225.69 1129.15 10446.93 7410.24 2251.6 1474.57 434.61 2274.96 1174.78 2566.04 1620.02 2157.05 5676.51 3303.42 748.81 1035.09 1173.99 5178.92 1032.98 1076.43 1718.53 2002.78 1483.33 6365.14 2228.21 819.43 2014.73 675.5 13272.95 511.37 3285.13 2978.09 3966.99 7470.24 3219.22 10293.68 1933.53 481.56 7152.67 1652.82 16762.66 1290.41 5287.92 2283.84 8605.4 2816.33 983.29 2270.06 1722.09 957.32 5142.55 8064.89 3077.55 6132.17 516.74 4913.18 816.72 1042.77 596.39 2430 482.48 1125.78 3884.01 2754.05 1373.15 2867.36 3090.22 3441.02 1802.81 2918.48 2921.43 2897.62 3091.23 2961.38 Tricoumaroyl spermidine 26068.29 20247.54 23696.57 31178.3 15628.28 36357.19 29975.68 4375.44 17938.83 38136.65 34652.27 7646.97 39095.07 27209.38 33807.84 45288.32 78135.03 55521.42 61797.66 50500.23 1615.03 39743.03 21957.27 17946.07 5354.67 41063.98 14073.91 1679.11 59510.01 27169.81 1241.7 7890.67 34896.23 27805.19 23445.83 543.43 24002.4 15671.84 19060.28 9267.18 31964.14 1478.34 36124.58 39124.51 36877.77 36880.39 61401.1 33733.84 21568.6 23437.44 16776.95 47960.72 42628.47 43795.14 10474.28 48846.85 18114.49 22560.11 35253.57 53777.63 31411.33 32767.95 1846.01 44873.74 42032.4 26497.43 21607.59 34308.21 39544.19 19805.39 14672.78 60829.58 5355.41 47276.86 42840 33583.71 33418.32 33195.57 30764.03 33195.31 32876.88 35828.92 32835.83 33597.5 5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide 20777.95 3349.46 957.15 1021.56 17241.44 2975.53 7105.79 40124.03 46130.31 23298.97 10688.57 30793.44 5186.65 11323.69 22342.38 24125.3 9147.82 26035.47 17095.41 34766.31 21761.49 1950.85 5397.09 2714.43 27189.77 4499.17 2582.3 11142.58 13769.34 20375.33 14159.88 16526.35 8336.69 1526.64 1085.61 17631.48 18210.49 539.31 6965.79 3154.86 38105.06 40375.7 3911.19 8580.66 28879.02 5533.31 35704.69 9183.25 17487.1 31311.11 13914.93 9146.84 3015.44 3431.07 20233.59 3289.55 2057.16 2227.15 25422.93 2690.84 1877.92 3237.87 4136.1 9211.8 11846.08 28795.8 14557.02 23083 21617.44 24486.12 20396.02 15782.16 18422.7 6082.83 7293.3 21308.48 22645.12 20937.66 22056.51 22095.27 21474.2 21800.27 21353.7 22036.74 Acetylsalicylic acid 114389.12 123130.16 136047.9 59851.25 24792.14 22524.2 22792.5 73164.36 78486.22 110453.68 122633.56 127576.17 49045.08 129845.64 80502.16 64600.45 99622.29 70588.93 56519.03 59015.07 115609.06 153733.63 130627.36 180218.49 143719.01 168302.63 174768.44 188632.95 111311.88 161095.1 146279.84 90067.53 122643.3 157346.91 283573.94 138335.64 162489.44 208787.76 168627.6 213925.21 47821.16 97511.49 154500.33 160297.23 73419.81 57091.95 78895.83 106877.59 115820.97 68301.57 122135.11 110556.99 137076.13 147341.08 77737.44 122568.59 175815.72 283054.16 86575.07 167400.31 147465.08 149484.98 113206.42 115960.51 124770.73 86214.67 71094.55 147476.22 156554.44 82243.86 97059.19 118703.32 115204.63 107736.29 111263.09 59029.97 58601.37 59122.45 58518.33 58624.18 57804.53 58527.78 59098.36 59101.15 12a-Hydroxy-3-oxocholadienic acid 15591.01 34716.05 9710.16 32073.74 90973.1 134547.27 151473.43 97789.38 88097.42 55339.63 24599.28 38306.65 68867.46 216714.79 46582.58 17902.31 45163.41 54562.47 56578.31 22061.65 9129.09 7003.4 3429.46 2971.33 466.69 1295.79 1677.22 7938.6 2964.37 7012.55 30176.95 13250.55 6800.4 11620.21 3680.44 2380.35 2647.07 5775 316.32 5613.83 6967.6 23389.45 13601.54 9896.2 99602.41 113300.3 46442.84 18671.77 7489.91 148958.03 24796.01 22235.71 18557.91 12002.51 13028.61 29492.68 10834.4 14826.45 7268.62 13048.8 15414.12 14266.22 24441.12 10574.09 22286.44 2909.95 24232.87 32063.01 18073.65 11317.96 33124.77 24115.46 15587.43 17258.25 27040.13 31203.49 37123.27 37480.02 35904.19 37002.54 36921.42 37590.27 36261.1 34861.05 Stipitatonic acid 13203.73 33902.17 9795.08 7642.25 1118.2 24752.56 10032.83 16365.64 20096.1 28277.72 11279.23 11121.53 11735.46 10308.73 46467.71 11929.21 12412.48 23903.76 21614.34 30571.05 16541.58 46221.63 8675 15949.62 21226.73 26379.46 9302.2 5771.96 20305.72 7601.32 21758.42 18177.23 21319.72 7925.37 8961.34 21268.78 25184.03 12348.45 15974.49 10187.74 11711 25602.1 21826.47 10048.37 17235.22 720.94 32003.75 29732.72 5050.66 23898.54 5815.8 40143.36 15316.74 956.99 14939.95 40477.68 11407.36 18954.63 19808.32 27252.31 15307.39 8249.05 29475.55 20503.93 18266.48 23268.23 37724.53 12962.69 13471.12 20756.92 45990.14 46435.55 27141.45 14342.5 1072.79 22770.04 21268.49 23359.15 21223.48 21225.05 22296.25 19477.17 22391.54 21244.48 Batrachotoxinin A 3851.48 2173.78 6470.48 6121.62 4555.02 2514.09 9453.89 5549.99 3437.19 6082.56 4496.05 20710.56 16046.92 6605.85 3345.87 4707.11 3201.44 7519.84 11515.83 2574.48 2917.71 2455.71 7452.82 5336.43 8955.09 1874.1 2456.55 5544.57 2210.01 1649.79 1608.63 4148.46 2311.89 5722.85 4384.65 7491.45 1727.27 1341.87 6490.42 5164.02 3670.24 2109.91 5764.01 2705.14 1836.44 6590.09 1167.39 7018.27 10469.22 4256.52 6926.36 3349.12 8646.41 9410.64 4198.98 643.81 591.7 2323.93 1595.57 2997.29 3267.8 5079.33 3078.98 5655.9 4923.12 5002.47 581.62 5169.74 4037.02 3917.25 2225.1 4038.77 3142.47 4784.3 3901.83 3751.86 3760.83 3761.79 3678.74 3702.21 3742.38 3704.22 3704.39 3872.57 4-Methylburimamide 4446.95 9397.36 5473.71 14827.03 6511.27 13885.91 12941.4 9178.96 1859.53 17401.21 17856.43 9836.21 12488.13 13398.71 11685.45 24651.16 14305.96 9942.51 35325.22 21542.24 591.52 3633.84 6780.61 3697.11 2581.37 12036.49 4531.27 2347.6 5331.1 5399.66 4929.24 16148.71 4873.13 2646.03 1878.71 2849.51 3053.27 1192.31 5161.08 1312.79 910.6 3457.04 9443.07 12443.79 11433.73 11126.7 6853.39 14176.43 3235.58 18363.01 656.82 5153.34 7138.98 9480.97 5632.13 9915.88 7138.2 6876.31 10089.22 16234.83 11171.39 8229.59 8762.72 16024.38 14155.42 7572.31 897.16 11234.25 9367.67 8218.76 7588.21 9534.18 1730.19 17932.01 19880.94 16607.71 16555.35 16553.14 17997.35 17048.19 15512.02 17192.47 16525.66 17183.35 Viniferal 2251.68 8260.06 3247.81 1785.38 1684.55 3716.7 2579.51 1178.88 1993.03 2428.43 4677.95 955.53 2255.16 2067.97 12536.44 629.02 2825.69 1831.03 510.51 6639.97 1137.41 5774.33 892.4 491.93 684.34 2558.69 1150.68 2116.51 582.77 574.89 1268.29 916.69 6655.7 1538.55 888.67 1058.76 593.61 1108.37 487.55 808.56 637.63 918.15 1539.6 1872.4 2901.22 2271.89 640.58 1634.68 767.95 1486.56 1142.84 3371.8 1316.67 517.53 2225.23 4799.88 435.75 407.5 895.62 918.25 937.58 1765.61 9081.5 2172.53 1680.2 1945.18 7226.03 1612.38 1736.94 2639.03 8706.63 2009.42 1359.52 1075.31 835.21 4535.54 6040.69 5438.71 5431.77 3851.93 4817.43 4313.17 4546.83 6481.62 6076.72 5041.37 4859.11 5478.48 5708.61 4966.85 4683.27 2488.57 4720.71 4719.09 4838.43 5933.06 5252.89 4775.0 5153.36 4455.13 2165.56 2069.55 1556.86 2017.33 2167.65 2196.56 1975.71 2008.69 2151.88 Geissospermine 12742.46 15679.23 24185.76 16300.71 5012.74 858.37 1692.03 21093.34 19324.47 18578.13 14977.68 22268.67 14204.84 12006.55 21828.35 21418.85 21336.41 16641.01 27460.68 10484.7 25197.39 15148.95 26913.07 20550.68 24694.37 9019.1 11292.29 10293.61 31472.06 21095.57 10178.17 19875.89 26457.27 25067.09 27105.1 28355.24 20089.38 4994.05 20769.17 8615.26 6501.75 19353.24 25842.3 10634.49 19414.37 16422.6 22819.72 23311.13 26086.78 23072.54 18739.87 24554.44 24601.45 20036.62 24489.08 17762.31 21705.79 24158.63 25209.71 5920.35 21504.01 18979.95 25790.72 21865.07 22578.45 17241.18 9176.84 16831.13 10751.36 25822.73 20967.53 23387.71 24723.14 21627.29 17963.09 741.45 1277.98 1270.42 638.54 758.3 790.47 2661.61 1185.03 1067.26 1145.56 699.3 717.5 578.21 1080.12 690.88 1400.61 921.76 1051.07 1258.89 675.57 1128.47 788.02 29530.16 29235.52 28587.19 29229.85 29525.95 29233.11 29233.14 29518.33 29517.56 Sinapyl alcohol 608.37 526.04 3042.13 475.42 10521.74 19562.51 12443.07 980.16 1928.75 10698.98 15985.74 417.63 1012.11 825.35 1045.02 498.4 1419.95 2224.47 1133.9 718.9 248.95 6540.21 6616.85 4687 220.31 438.91 2807.92 2686.49 1027.93 308.56 751.05 567.19 304.5 6687.71 5228.42 606.14 455.81 951.78 6192.31 3659.56 1031.43 4720.21 711.3 1484.12 577.7 2281.45 641.82 675.33 323.95 819.33 2210.78 588.04 622.39 582.42 353.4 388.43 609.56 539.23 601.54 8201.12 10327.69 9288.48 268.08 276.37 1163.12 333.39 671.87 470.49 495.28 238.49 1174.91 393.56 3352.9 346.24 1436.07 2527.11 2669.39 2658.96 2620.79 2522.65 2552.12 2655.58 2688.31 2577.92 Neopetasitenine 24065.08 24398.88 11070.34 13545.48 17810.26 1615.03 6462.01 21548.07 17265.71 24145.81 19673.33 21101.92 20581.18 23963.19 20494.78 15820.9 19604.71 16589.92 21575.71 15130.48 17759.85 10407.09 21639.31 17015.21 33301.74 33206.51 26195.11 36209.85 31611.31 7721.95 21181.01 18570.45 22691.17 16598.55 14649.74 35375.63 31425.72 13407.87 26934.02 25502.38 7919.47 19801.23 19483.89 21228.63 19091.88 22949.32 17344.21 29583.72 32639.04 20907.34 25986.52 21888.63 17447.97 21558.85 26017.11 21647.35 9506.15 11799.42 18047.35 20950.93 15206.23 17382.86 20654.09 20649.57 24237.1 19369.28 8050.45 32661.1 29574 15553.93 24850.74 34226.7 27363.58 21459.51 21321.6 14598.01 10405.93 14784.8 12989.29 16050.69 17230.85 9099.88 8311.8 12292.46 15245.9 18306.15 10699.09 9388.01 16426.7 14912.72 15242.66 14690.58 15330.17 8346.23 14486.21 17032.48 16151.35 14775.29 16730.66 10603.37 23350.62 22802.14 23842.69 23480.86 23020.62 22850.42 22536.48 24063.33 22830.68 Browniine 29175.73 14491 18843.09 11469.78 33043.15 3303.59 6248.07 65695.11 50935.86 6129.23 33050.38 21138.64 30120.54 22626.17 42500.08 36296.69 18635.92 20170.8 62568.89 47523.15 22810.91 6839.87 16547.16 10291.76 28483.25 3692.02 45049.92 11677.8 24549.45 9024.84 10052.25 45984.59 10513.07 21357.59 10140.76 43028.58 42461.8 810.72 30332.17 8448.02 10761.78 43545.05 22297.76 13408.74 66313.49 14327.8 52953.21 11773.1 42288.88 90067.87 50491.73 17708.33 31829.83 14847.56 52131.42 14922.7 13760.01 7674.3 63940.08 4648.6 54649.98 23651.58 53790.88 30603.24 26578.55 18513.72 13566.5 26872.8 18758.36 78963.29 39771.94 18976.26 25061.16 22638.35 33238.36 30262.73 31656.34 31549.39 31082.13 31848.75 31849.77 32149.25 31101.92 31020.68 RvD1 32280.48 1954.4 3670.23 5127.19 6107.13 1252.99 1616.11 14063.78 8368.91 1641.24 6798.96 1651.55 70224.66 2436.45 4586.31 5578.98 1323.09 2752.36 15947.39 4414 3426.87 5030.64 1125.86 5201.26 4788.28 6938.63 11665.89 4717.89 4098.55 10713.73 3703.4 3542.56 5797.06 5775.29 3775.97 3218.61 12593.32 3975.99 10612.09 6231.19 6379 20145.29 1850 12485.41 3088.99 7592.8 5496.49 6390.98 9982.32 13246.02 31159.43 1239.91 20498.92 5819.68 1768.45 10709.59 6115.31 5073.53 1179.05 7810.93 9148.2 31640.06 1395.55 6910.28 7320.68 13293.75 6141.58 13914.73 5029.29 7225.6 947.1 6431.9 9913.56 8010.64 10141.02 3295.13 4107.45 4321.57 3692.89 3733.87 3207.41 3645.7 4454.23 4330.53 Morzid 2172.97 4239.25 1506.76 367.2 2838.71 1074.07 351.39 5013.3 4022.4 4731.73 1664.59 4395.41 625.8 2381.91 8027.51 3938.15 4187.61 5125.49 5146.68 4255.95 2860.96 4697.92 2152.9 1676.63 2649.8 3152.42 1188.94 820.27 2742.99 829.79 1597.35 2377.97 3022.05 1436.78 1871.37 1545.44 2036.79 1137.42 2013.82 695.86 1790.37 3848.76 1946.13 2332.76 4229.88 1632.82 3228.71 2244.19 1451.38 4332.04 1698.1 3451.21 2162.53 2106.85 3055.97 4219.71 1056.99 2623.57 3117.24 3237.51 1890.01 2081.11 2025.75 3114.53 2680.46 3778.8 5196.27 2831.23 1769.79 7414.38 3358.14 9920.7 2530.16 2538.42 1296.58 3485.99 3551.67 3692.87 3107.47 3687.49 3701.67 3637.07 3687.89 3694.26 beta-L-Arabinose 1-phosphate 6086.38 7433.87 1034.97 1931.1 10863.13 15625.89 1590.3 12511.95 12478.08 2761.5 2207.04 2707.25 3866.69 3482.81 14063.27 4298.02 1628.66 15992.27 4085.7 21609.8 11189.42 9387.52 1339.43 612.26 8948.34 3973.29 557.58 1058.1 3610.12 1104.29 8866.05 3727.72 7049.58 1288.82 889.32 5869.11 10389.2 2454.74 1471.4 936.31 13235.24 5416.67 1878.7 1277.51 15085.81 4451.24 14986.66 1887.83 901.33 3842.08 6947.06 9492.52 1571.7 2486.15 6964.63 10666.1 1250.22 1460.62 13145.61 10074.09 1747.5 1590.7 11203.02 3173.84 4076.99 6610.14 22813.96 1600.14 3703.81 17885.45 12136.85 3706.07 2978.03 2770.26 3516.35 8173.71 7469.93 8062.52 8426.65 9129.95 8048.81 8355.14 8385.03 8076.71 cis-Zeatin riboside 1467.99 1843.61 781.59 2290.55 2109.27 647.58 1328.76 3735.64 1664.25 780.53 505.95 949.22 932.19 468.82 1184.72 1295.11 2770.39 581.41 363.06 1251.74 1603.08 1470.48 800.79 1013.53 900.77 599.64 431.75 760.7 1975.38 695.36 2367.79 4904 1154.09 809.61 674.05 1321.47 1121.27 537.8 409 441.79 1643.59 1812.22 2480.91 1177.37 2449.03 695.89 2068.91 1275.49 814.05 1646.16 1931.37 1006.04 2263.06 843.75 2143.31 1553.31 1724.94 1581.61 1027.48 15216.45 1833.42 653.58 1211.46 1267.16 1744.22 4494.92 687.64 507.65 1033.72 1476.52 1465.96 500.4 2400.13 1697.14 957.17 1853.93 1890.69 1740.96 1737.73 2127.7 1927.81 1971.72 1798.41 1958.49 Cocaine 1740 2642.12 3831.47 3674.47 1591.69 743.66 1424.07 1543.6 1178.39 1638.45 2247.03 1383.66 723.06 1716.08 789.7 2702.81 5172.01 1697.68 6302.15 1716.65 1735.34 2453.96 2468.19 2244.21 1796.23 1791.86 1912.1 2146.73 614.85 2252.45 1351.15 1077.97 2835.89 2389.57 2349.77 1963.67 2035.35 1586.03 2335.85 1653.69 697.53 1991.4 3321.53 1144.54 1742.18 1725.84 2010 2874.94 864.1 1172.18 1475.41 2768.05 3902.98 2893.73 1559.57 3581.83 2955.64 4058.63 1595 3289.42 1351.06 2280.64 1420.82 6388.82 4406.92 1534.51 3399.08 1784.74 518.22 646.75 881.38 1715.67 520.22 4943.19 2595.64 1707.56 1867.12 1833.3 1963.39 1722.07 1790.72 1624.46 1701.57 1843.65 Antibiotic T 23I 2514.51 3241.57 2555.49 2827.61 3974.64 1131.4 3415.97 4395.9 2593.91 3783.68 1483.37 4809.75 2590.38 3458.17 3463.88 7378.34 3831.47 3669.53 8175.08 2489.67 4300.78 2120.19 2641.65 3076.43 2990.18 2567.84 3333.68 4567.34 5932.05 1477.57 6724.35 3544.15 2711.23 1241.41 1415.35 2778.09 2025.22 1377.57 1512.17 3192.62 2476.48 4447.76 3095.53 3007.56 9190.78 4942.56 3919.12 3250.84 6223.24 4882.36 4176.95 2993.26 3531.45 2014.98 6188.42 1152.34 528.97 2494.81 2111.86 2707.2 990.51 2803.5 693.7 8826.24 1153.49 9124.77 2759.19 6790.13 5287.84 2608.42 8485.25 6746.41 12460.01 7528.28 4153.75 5394.64 5647.03 5161.02 5382.17 5737.39 5735.51 5327.3 4229.31 5788.5 ()-(E)-3-Methyl-4-decen-1-yl acetate 8241.37 11223.68 4883.7 13392.12 13693.11 20177.24 13975.19 17013.06 14436.25 8225.48 15150.28 12716.23 14814.98 6462.02 24952.69 20060.92 21758.09 31171.55 14541.88 25629.03 6106.92 3809.69 3863.88 4713.81 4022.49 5101.37 4916.16 2713.85 6356.35 9652.56 6162.52 9441.59 12871.51 3563.42 4250.6 4967.33 9138.52 2853.87 5361.17 5626.91 22583.75 7972.44 9227.35 10491.23 13489.73 21793.45 24571.58 14776.86 5945.34 13037.09 8314.45 9579.87 6638.2 11782.98 14409.19 10316.97 9599.43 10657.28 18750.53 19833.17 15812.38 8805.39 17491.37 19890.07 24253.58 10950.11 18159.9 8929.91 12331.35 16714.5 22624.29 16094.14 19774.61 21292.42 19419.35 17149.83 16949.45 16930.55 17617.9 17203.34 17083.76 17191.33 16929.58 16928.65 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione 2858.92 1330.62 475.56 174.89 1269.26 476.36 725.74 4016.9 4152.31 1329.37 1338.91 1996.77 460.19 300.69 3607.57 2217.61 1091.11 6994.17 1243.93 6511.01 2517.19 677.15 689.06 657.37 1875.73 1652.07 582.83 575.18 3980.07 1366.26 3340.79 1885.96 1560.8 719.23 281.09 2532.71 2623.23 333.12 615.89 995.13 4646.04 2028.64 368.39 1121 3920.89 374.84 5557.14 1015.98 975.51 2862.71 702.71 561.96 584.07 343.09 3045.71 2120.01 347.59 566.22 2371.27 480.53 716.98 830.55 1277.96 1305.57 1290.65 2901.01 3295.24 404.44 2188.01 4798.23 3769.34 1156.42 4929.34 648.83 329.99 3924.05 3862.13 4963.79 3547.27 3817.4 4190.22 3387.46 3746.78 4420.46 3-(N-Nitrosomethylamino)propionaldehyde 1778.58 5063.01 720.19 2153.64 769.38 510.12 1474.77 667.77 714.93 461.43 595.37 1423.92 3170.01 3506.47 1785.49 1155.83 1814.46 3247.69 1420.91 2999.29 509.67 943.28 836 411.39 719.77 964.29 442.16 1176.08 2464.34 1142.33 6015.89 5873.19 658.98 1058.04 529.84 1432.12 706.88 824.15 517.55 554.4 6948.35 6158.52 514.76 4125.52 5184.94 3530.71 1241.71 1337.09 2628.48 8774.84 3696.6 6967.58 951.71 2826.39 1563.05 2180.29 3329.89 415.2 437.94 448.93 3146.66 1112.9 1946.56 811.98 1343.57 2593.59 8102.64 421.86 2073.18 610.31 1127.84 867.86 1746.41 2018.72 2075.86 2171.65 2290.92 1834.27 2243.61 2230.73 2233.44 2122.77 2133.13 2186.65 Epothilone D 33564.99 29349.56 1202.65 18242.56 42759.75 46999.15 25981.31 46706.92 48950.13 36446.61 41125.87 53571.07 32839.25 29378.67 49392.24 46888.02 22047.73 30907.4 55788.46 84651.85 41003.14 27147.81 17463.98 12554.81 24656.45 22126.04 4094.53 13178.57 32030.65 20481.09 29498.16 26645.92 25270.86 21308.38 10960.56 21849.23 28073.14 5860.75 25373.89 8302.47 48870.04 51816.2 23514.53 21973.17 62152.69 39336.29 54995.47 16921.11 25748.6 41991.77 31096.1 28934.97 18457.5 18995.11 26688.9 23676.51 1778.52 6925.54 43388.73 35977.22 11025.32 16992.32 23034.23 24073.82 28139.64 57300.18 82695.6 25337.13 28424.44 54094.95 56154.19 67242.05 26306.57 31472.18 30006.87 42817.91 43126.49 42822.91 43128.85 43126.93 43131.81 43092.67 42815.98 43135.38 3-Hydroxy-16-imino-17-azaandrostan-11-one 1837.49 3763.49 8530.25 11782.57 28656.91 38497.85 57629.51 1818 1355.1 3187.24 3694.95 2226.44 13183.71 2646.58 285.54 5899.59 3962.83 428.99 1696.24 1619.43 1122.61 7204.21 6156.9 3025.94 1078.04 1014.2 1074.45 1149.68 2568.96 456.82 360.61 1283.57 2809.3 5626.14 2921.76 635.29 2509.69 3151.95 3536.79 1308.12 11224.36 1461.55 3689.32 5075.52 1997.1 11897.26 484.1 1692.36 449.16 804.07 1342.69 4837.94 5319.75 6641.17 4800.16 4444.34 5097.36 15058.83 2597.66 9499.91 7424.54 6508.44 5096.5 7768.34 5053.86 4616.95 1894.81 518.01 1696.45 1983.1 1779.42 2020.98 3742.83 21818.94 6433.46 8545.39 8401.47 8333.45 7193.91 8345.82 9050.32 8550.11 8379.53 8429.57 Patellamide D 1496.58 2194.02 690.98 1207.24 590.3 4940.54 1080.45 2523.52 3312.32 423.57 1439.6 1114.72 318.14 1163.81 6174.76 1867.55 800.38 797.83 2932.92 10594.63 1538.3 396.84 1293.8 751.72 496.3 667.75 622.66 777.45 2864.57 795.88 1034.41 521.06 1572.42 439.92 667.79 437.84 2055.59 880.65 423.16 477.26 3006.58 3361.05 1475.86 1083.21 2488.5 1151.5 1852.35 1641.5 878.33 978.58 790.07 2168.47 1426.52 374.29 426.91 582.6 291.45 1242.88 5945.98 1416.13 1326.21 680.16 2282.26 4129.59 3779.12 3479.58 4917.95 1222.38 430.56 1707.85 2601.97 2283.47 1510.88 5669.73 371.52 5056.79 3362.97 4461.95 4599.97 1566.42 4036.14 4289.13 3765.81 4039.61 (2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan 3698.52 5649.5 645.25 1952.82 3576.46 3977.73 4070.24 1981.1 10937.58 4873.42 3158.5 737.8 3196.62 1934.13 1894.94 6522.07 1387.84 4402.04 1708.7 2068.21 1364.13 2062.22 608.04 2113.4 1246.43 5563.67 900.15 1056.58 3258.05 2049.58 1082.99 1845.33 2382.08 1770.61 2146.31 576.02 8680.25 1521.09 1617.84 3591.53 4428.18 1316.73 3222.82 1478.51 4211.71 2789.43 2622.03 2797.92 690.81 6782.26 2051.13 924.74 3406.57 2692.32 6619.07 5383.81 1606.4 2886.76 1466.05 617.4 3183.89 678.54 6844.93 9117.82 5117.24 6894.87 12610.99 4375.19 3083.08 9796.29 4112.64 11185.27 6980.54 3978.94 6678.75 2643.14 2460.15 2437.08 2995.43 2539.66 2584.79 2437.78 1668.4 2494.81 o-Cresol 2380.23 2268.97 2012.72 2962.48 4447.31 5240.14 5396.41 3790.5 2537.5 2528.59 3214.46 5000.7 6242.43 2094.57 2793.91 2867.35 3728.63 2479.86 6802.28 799.79 830.88 2890.63 2731.21 2181.09 1942.43 1453.02 1763.3 2771.19 3070.01 396.83 695.31 3451.65 1104.73 1777.72 1672.59 2354.09 1641.25 669.4 2774.9 1414.7 2145.25 3024.07 2652.29 3350.06 3611.84 6776.58 1099.44 2681.79 2734.61 5809.59 2430.34 2831.43 3511.27 3413.98 3432.41 2792.67 1631.04 1894.47 1982.29 1202.09 3837.41 3880.6 2229.4 3038.31 2779.9 4227.5 730.62 2878.55 3649.8 2242.3 1893.42 3736 3531.61 4338.48 5201.27 3674.72 3575.95 3674.1 3513.3 3485.36 3524.31 3702.35 3671.7 3359.74 Ceanothine C 6274.96 3070.82 2681.14 1799.09 21234.11 2526.49 864.02 11839.23 5192.56 12227.71 5976.05 7684.21 7981.75 10540.19 2040.18 8628.5 4981.5 11823.48 14049.9 2145.33 9320.36 5649.89 6467.09 2899.22 8792.54 7900.26 9026.2 3717.32 7705.6 3162.6 3202.74 29034.67 5912.88 4963.51 5592.5 5978.47 9695.54 3142.91 1633.04 1920.4 735.98 12771.62 5834.3 6686.23 11936.32 5740.65 1178.44 4439.91 17001.84 9837.09 10987.87 9079.45 9134.11 4241.73 16713.14 4805.57 2058.21 3117.56 17163.55 9627.39 4472.7 8313.77 12427.28 5794.1 2802.8 16311.23 2716.62 6963.21 4048.75 3983.02 4726.94 10722.43 6360.99 2795.05 4539.14 5093.01 5657.98 5773.07 6129.62 1907.82 6815.09 3222.7 7788.69 3027.33 6721.68 4053.99 3299.52 7011.83 2807.6 5121.7 6714.35 7382.43 5645.62 6652.13 7013.14 5526.22 5244.98 7098.07 5900.28 7769.18 10230.52 10362.97 10270.31 10016.63 10691.62 10008.22 10262.27 10003.75 9220.71 1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside 899.71 366.24 453.87 1021.8 907.53 1035.9 1295.92 954.05 1907.68 635.99 1965.25 590.57 3137.17 1005.27 827.92 507.26 255.78 1166.89 498.03 1000.61 839.8 725.19 1125.89 359.5 1752.23 1131.58 576.54 848.31 1434.79 374.75 432.28 1085.74 586.53 301.94 502.66 1265.44 1292.12 658.8 403.37 340.7 2382.27 1212.72 1639.23 1141.21 362.55 570.5 1941.63 1480.16 1065.69 1324.4 1337.25 973.09 417.71 899.51 434.72 296.35 419.31 1494.71 1131.07 293.28 437 1025.08 706.5 2905.95 479.12 2204.29 1076.79 421.52 1087.54 1144.28 455.03 628.04 813.03 1449.97 896.79 1172.28 2682.13 4061.49 6417.2 3588.88 1198.24 2361.4 3639.15 1620.26 1662.62 1138.78 749.55 2261.83 3674.39 2912.32 1843.91 2892.47 3337.04 4260.86 1716.15 2191.56 3299.14 2525.94 4062.13 5678.94 1948.46 1740.47 1521.1 1752.74 1906.32 1915.87 1799.99 1967.39 1734.73 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 61025.54 21009.86 14181.85 20720.34 27469.27 9597.98 21774.52 17857.47 16944.2 20388.85 21632.9 24228.01 41451.39 27428.65 19922.75 26754.23 21696.85 22055.04 18923.99 36718.26 33168.94 26658.33 2732.06 3628.59 8895.94 6484.02 10280.4 20494.61 21227.52 23983.22 28455.15 29810.32 15837.77 22472.42 27307.59 23572.47 25271.45 23780.84 25340.57 93682.92 41874.27 40040.54 26328.84 29240.49 27996.03 32344.86 26871.09 4449.27 37506.67 40248.11 29884.16 35352.92 28890.12 31476.61 34643.89 25324 23195.59 1720.42 3665.25 9622.33 2017.59 16677.33 21175.84 18126.79 21929.83 29116.67 36988.92 21245.75 30983.78 16731.32 24925.09 9853.14 1693.44 37470.36 26301.15 36011.17 42522.8 58858.4 38888.27 49271.94 39610.26 37155.01 43963.87 41682.39 45027.13 46626.64 38571.04 35082.61 41931.6 44574.48 33534.36 50073.01 36368.66 37638.5 45031.6 44578.4 51732.63 42637.67 45736.83 32718.91 41578.16 37405.81 38938.87 48853.02 39497.57 25866.29 37987.14 36959.9 41350.91 Janthitrem G 1438.04 5954.49 2265.49 5296.38 857.33 3794.8 1253.64 2836.7 4804.97 1698.13 2372.28 5378.75 7143.73 8115.63 9811.78 5581.04 5904.05 11187.49 13091.62 9245.92 1135.47 543.81 1165.86 624.68 1487.96 366.22 873.6 390.71 6954.79 2056.06 1153.72 8451.82 697.19 549.86 1054.08 4925.48 1980.22 816.91 313.2 340.28 4613.05 3811.8 2154.86 1130.95 8557.68 6703.04 16179.37 3535.81 3426.02 10645.74 3708.68 13297.29 3919.55 5953.05 8819.6 9927.01 721.58 1827.64 830.67 2520.96 593.22 764.8 7199.36 4313.24 5859.88 7189.6 4693.38 494.72 3013.49 1570.4 950.11 734.1 2524.57 6146.03 4638.32 1891.4 3079.26 2350.89 1987.52 1390.84 3317.55 2610.08 1618.57 1466.91 3760.46 1689.06 3372.02 758.73 2934.33 2265.93 2651.78 1313.88 3898.13 2272.31 1506.47 1524.05 2061.52 1705.93 2494.67 927.06 7025.37 6686.71 6886.39 6879.26 6670.89 6647.67 6822.73 6344.42 6856.46 [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-5-phenylpenta-2,4-dienoate 1814.3 1691.17 2034.28 3421.59 2523.18 926.58 2586.5 1262.74 492.87 764.09 1403.95 3070.27 1299.45 1989.19 1310.26 1923.13 6144.92 3440.52 1299.61 1450.02 767.06 1943.92 583.46 1073.86 2331.47 2778.62 2938.41 2645.5 2107.69 1555.9 1426.21 1762.36 2175.58 3488.18 4120.05 1487.46 3585.55 654.75 3743.74 677.23 466.78 2502.7 1507.24 641.41 1374.15 1466.75 551.99 1251.48 434.69 2396.22 2305.84 1205.52 9276.75 8734.82 4575.11 6696.55 5810.34 8484.36 3999.16 3564.85 5417.54 3573.93 12046.05 7085.89 8102.53 2658.64 2246.73 794.68 3725.96 1440.95 935.14 2259.84 8489.21 15897.46 1535.99 3693.43 3556.65 3414.39 3785.4 3573.28 3552.91 3573.81 3155.22 3753.87 Naproanilide 12523.4 5026.06 6509.34 7732.38 17760.09 4985.25 7797.8 20807.9 19293.85 12498.08 9316.98 17391.99 2147.3 12196.38 17566.7 12195.1 8771.52 23736.63 15633.1 23651.42 11469.19 2626.28 7525.69 6992.5 11333.55 8190.19 7265.92 7001.15 14623.72 7519.1 14023.68 14324.95 6145.73 6835.53 6949.63 11884.96 9805.11 4719.78 9783.74 7888.38 27764.39 19662 8556.64 7867.64 31203.71 14567.6 20320.04 10193.99 8536.16 19415.85 12432.93 14046.95 9837.71 9521.88 12209.31 6818.01 8044.62 9275.66 15031.75 3728.75 8471.3 8274.41 17548.91 5726.62 4420.85 18691.66 18463.1 9162.21 8833.51 15267.98 13334.31 6374.66 10046.12 2742.54 2927.95 13962.4 14871.25 14946.33 18458.89 14130.84 14911.82 11418.68 13997.72 13911.23 Rhodojaponin IV 14208.79 9773.53 9635.24 13794.29 45370.62 11594.83 24017.02 22513.65 15131.43 25204.38 18717.04 33720.14 36735.48 21737.23 21169.99 27648.19 14924.24 27189.5 34458.68 9694.14 20998.77 7122.22 16221.79 16212.6 16949.66 12773.39 9375.52 8191.12 20493.6 17290.44 8773.14 25602.72 14032.64 10384.47 12923.95 18722.63 19523.26 1723.69 15622.21 9061.97 12503.44 25125.85 18603.85 18011.7 25277.64 20158.95 19806.06 21538.61 22474.13 27884.79 12704.35 19452.32 29385.27 14224.51 18895.36 11073.77 6538.66 5518.63 23791.57 6492.8 14853.66 25352.72 21325.48 22317.1 15266.76 26248.54 32995.98 27527.57 19244.82 16650.17 8943.68 22304.2 13602.78 10642.04 18253.13 19451.05 18898.79 20111.65 18874.4 17372.41 19190.79 19420.44 18878.37 19753.51 Glucoconvallasaponin B 410.75 5620.76 3023.23 9568.43 15028.51 32396.09 10914.96 10766.45 10070.59 6676.23 8844.25 13352.46 12397.65 4863.16 15259.82 10268.28 10548.53 7695.46 16571.47 15419.65 816.63 2146.98 3703.82 4032.43 4197.33 2849.89 2984.77 3051.26 7729.52 823.59 434.36 2791.6 3373.29 2865.88 2777.15 2508.83 4982.84 853.33 7506.86 730.92 18399.51 852 6723.68 5963.36 30398.14 14666.57 14138.68 8093.51 7551.51 276.55 3776.08 10837.84 4240.32 7742.79 644.59 8474.95 3958.7 4309.04 11331.39 1149.9 6487.2 8206.44 10500.74 9756.05 7363.27 10917.02 12726.63 6994.39 5848.27 566.28 9373.85 11521.33 10274.59 10072.08 9034.67 14327.92 14972.3 14294.96 16735.98 14706.88 15126.95 14739.45 15239.65 15211.81 Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (6beta,17alpha,22R)- 1480.15 505.3 1188.66 3309.06 1671.78 4940.21 1370.05 873.66 1897.03 626.07 1616.98 1305.58 2826.46 2002.73 4062.9 1817.86 1950.43 2635.96 1380.49 1553.18 1778.38 913.74 3392.44 3533.41 1172.76 563.85 1075.03 1618.5 2961.34 2775.1 1186.8 1627.1 2159.11 3084.09 1830.87 657.9 1080.11 939.23 3422.87 2091.24 2275.92 787.92 2515.22 4840.81 1545.93 1821.8 1561.49 2826.44 1433.9 1424.26 2104.97 5373.6 4731.11 3625.44 2050.25 5453.62 2042.67 1295.85 1203.25 7528.72 2264.37 828.6 583.11 1405.07 935.7 563 2110.27 533.56 534.66 1681.57 1852.13 2367.55 1944.64 7195.48 1938.94 2010.54 2588.43 2245.21 2007.46 2011.19 2341.26 2061.82 2218.41 2036.37 Nedocromil 2242.56 5313.76 2671.66 2399.72 5545.87 31577.49 2485.82 1616.86 1816.44 785.37 539.46 482.52 4203.53 1765.54 9943.66 2302.43 2905.61 8236.92 3980.04 32922.85 1890.14 6701.83 771.86 2321.72 2600.78 10662.9 1397.66 1241.76 3742.74 1729.58 1495.78 2286.7 8724.18 397.94 1565.69 728.73 1933.6 1655.62 787.92 723.54 4425.09 3547.41 2325.06 736.24 4133.47 1013.61 6816.37 1486.7 430.24 3675.09 705.02 9329.32 284.46 2288.06 2488.89 9774.89 1395.73 2583.07 2501.68 20202.83 2571.57 1716.96 11283.65 4198.03 3250.02 1324.86 10359.12 631.64 815.54 1577.78 11262.36 828.99 1199.57 9607.72 2980.38 5609.39 6470.26 5896.01 5869.1 5767.02 5923.03 5319.8 5569.29 5837.46 Dopgal 6107.05 6058.6 4158.16 5296.71 8228.61 18905.44 9885.49 10903.12 6923.58 6113.74 11711.78 12405.97 9563.48 6226.2 7858.5 13247.03 8528.38 7636.96 12198.95 12089.74 6350.96 6310.05 5466.88 5160.89 5484.36 4548.7 3349.21 4768.34 8094.52 7257.69 4068.88 12941.89 5032.55 6039 4751.81 9307.93 5481.94 2618.65 5436.11 3051.2 14662.39 12044.06 6911.15 9285.13 9233.84 11356.34 5356.01 11484.71 8736.87 16190.65 7790.62 6731.95 7410.13 8180.85 4104.74 6474.8 5706.46 4013.26 2029.09 5877.47 4399.93 5349.33 3388.28 6275.61 7777.14 6935.08 5623.99 7657.98 6542.08 3349.31 4293.51 5553.82 7701.94 6563.17 10844.83 9030.63 9884.55 9042.54 9604.36 9044.2 8039.96 8972.25 8973.12 9647.53 Cafamarine 11443.01 13238.94 13044.29 26889.29 6930.62 17659.6 19431.27 21727.78 6600.62 6496.86 10535.93 25968.3 837.11 28636.92 8755.33 16259.84 32262.73 1367.88 16997.76 8936.6 15204.29 3525.65 22956.2 20204.77 13630.93 7845.38 21944.63 22471.44 17454.79 3404.18 10116.03 11471.17 4783.13 18077.13 17002.23 12329.7 10183.04 1166.37 7537.58 9369.3 5641.91 22988.88 26397.98 15310.92 10021.1 14607.86 3501.38 5125.11 15915.09 20842.67 18072.12 4528.46 12314.29 25217.06 3355.37 4296.73 7271.13 5700.52 12930.16 6205.16 22508.69 22894.67 5820.7 12032.2 15284.77 4458.4 9074.51 16358.35 19795.52 4148.8 4516.25 23584.91 5652.05 24741.04 18590.96 12465.62 11039.09 12210.32 11048.67 11786.4 3213.83 12485.56 12330.87 14369.12 Senaetnine 21042.27 3851.8 375.47 699.78 14262.12 1399.48 21825.75 15775.78 14100.23 17435.07 26631.11 52556.03 60281.26 73585.02 32520.33 30374.31 24064.87 84762.21 36996.26 88857.72 15276.94 651.37 874.66 12291.05 6086.8 2448.54 6319.32 14406.17 8720.84 23090.68 36525.36 63345.02 3043.65 2498.11 4490.78 25101.8 15063.58 2931.15 16273.29 2539.59 63239.6 40021.87 3406.34 27974.94 62344.75 48223.23 38312.94 25251.04 30271.95 56729.3 29034.28 33328.21 24270.46 36836.3 23974.08 2872.02 370.03 1011.61 9652.82 360.56 21281.98 1362.14 9544.5 12729.54 4173.18 36931.49 57794.32 25528.37 33150.54 20270.66 7909.27 17469.89 4188.99 1105.85 5612.53 33569.13 33067.62 33077.64 33073.91 32907.87 33068.49 32642.79 32900.41 31021.54 Stigmatellin A 1945.55 1635.48 1783.53 1408.61 4039.52 3438.69 809.76 2571.61 757.39 2893.12 2165.61 3558.56 2715.47 4209.75 4303.25 6652.18 4406.13 8035.85 7843.53 2472.06 872.92 10844.2 942.52 1011.95 581.86 1327.21 726.8 942.51 1881.63 3048.95 793.56 2841.08 1331.21 2368.5 885.36 1531.49 982.23 3140.18 2119.13 701.19 429.12 2597.17 4410.65 2466.95 1470.48 1335.07 2490.46 1726.13 2887.82 5006.09 1825.53 5478.15 3781.13 2903.88 1450.74 3148.53 924.98 2522.52 3973.84 1111.83 3088.78 3510.62 2475.53 1313.57 1344.22 3512.89 1921.85 1601.58 3837.7 896.71 1731.99 2371.77 1842.16 1458.29 2384.53 2831.05 2529.22 2500.56 2545.4 2320.63 2439.51 1743.18 2311.17 2243.19 Podecdysone B 6471.06 8641.69 48644.32 6108.84 11117.35 48372.76 11719.17 14513.94 18401.78 21038.27 5643.35 18199.1 16243.92 19328.79 22060.14 20200.56 10887.8 26252.5 82483.85 27894.03 13561.84 35773.34 6097.16 4512.03 14134.88 11775.63 5592.25 5108.1 10696.17 5195.66 16648.24 14753.29 10164.47 5859.68 9433.28 6744.32 11332.86 6818.39 5554.39 2647.62 10229.22 26976 12872.41 10698.61 20027.56 15103.33 21989.53 18127.02 20705.23 7217.21 59090.61 14092.19 6933.08 10578.27 22776.31 12917.89 17017.12 13024.94 23656.88 9529.44 12526.82 17181.61 49689.59 16949.15 13414.95 23457.9 26570.3 21889.06 13179.89 18052.94 18935.32 46928.46 17971.83 50600.45 14356.4 14978.62 20226.76 18227.74 20251.4 20260.29 20045.94 19387.66 20222.22 20220.68 1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one 9482.25 8983.27 7303.06 11679.18 10052.35 15632.58 3317.69 9791.3 8290.83 7393.52 9652.05 14017.09 16266.23 15234.96 7975.39 10492.28 7827.7 12668.44 14975.18 11186.51 7407.91 6435.97 5800.83 7124.95 6231.81 4574.28 2916.79 6212.94 10088.65 10725.78 9941.88 13697.28 5177.68 8064.23 6925.23 6053.04 4694.36 3000.76 8040.83 3764.41 14691.71 12765.38 6895.76 10192.21 13161.11 13034.78 9064.43 8408.69 10453.67 21152.69 10209.92 12699.07 9176.25 10615.95 8285.15 7886.49 4237.06 6361.76 7092.53 5062.72 6391.68 5555.7 9786.18 8217.94 6958.05 11337.77 14004.44 8901.1 7798.99 7072.74 9365.93 7536.68 9305.57 12324.04 10104.54 10575.51 10482.92 10923.23 10420.25 10677.28 10694.99 10548.01 10684.88 10520.27 Fenpyroximate 6456.87 4649.08 266.13 1200.14 2106.22 4772.11 1878.1 3550.57 6565.01 6424.04 3237.81 4193.65 1468.49 2392.72 4899.53 414.07 360.47 1205.66 601.49 1775.72 8349.94 563.07 1707.55 1167.86 5099.43 421.66 2056.44 4204.76 1919.37 448.1 4972.76 1643.88 3529.86 321.36 980.52 5004.44 6174.25 1086.56 3399.92 2712.35 7627.66 3564.21 1687.56 330.41 6948.85 857.24 823.62 1046.25 257.57 1090.78 2728.83 2778.52 823.11 249.02 8290.99 452.36 626.89 279.8 3561.33 862.41 825.13 303.34 6006.19 1706.77 557.86 8542.83 6555.9 1760.28 3375.58 4183.36 7099.36 3875.92 4471.02 321.25 705.05 3940 3364.77 4020.55 3571.52 3025.07 4728.66 3945.49 3690.66 3953.28 Colneleic acid 679.13 1515.57 355.91 2177.12 496.68 1597.75 931.54 628.7 550.42 672.15 2196.97 2019.76 4196.66 6963.31 1472.89 1914.92 1607.67 2123.47 2979.69 2811.03 436.31 504.03 407.72 472.97 243.58 380.59 993.58 397.38 2032.92 630.64 822.62 3852.16 341.51 382.34 606.36 653.17 8415.76 695.99 453.61 361.27 2270.43 1213.69 879.06 484.67 1695.1 2673.33 692.14 443.73 577.29 5405.45 1006.09 1051.55 731.16 1153.2 358.59 780.78 469.52 479.08 552.1 263.04 481.97 869.29 317.37 329.1 478.84 744.48 1900.54 766.13 824.88 476.75 583.16 830.83 443.5 1154.64 1007.44 1397.03 1939.54 1524.02 1388.2 1380.41 1651.25 1348.03 1162.65 1346.77 Piritramide 12945.86 23219.86 66949.1 30517.27 14310.11 8308.77 14714.58 29333.66 28046.48 18323.35 21171.08 25928.78 14890.47 18625.55 37725.76 30561.34 52208.09 12437.46 59575.98 10979.56 29354.25 17647.76 65772.16 29100.6 27474.59 9313.17 12069.81 14861.33 57622.47 18222.16 3915.65 23117.41 34791.75 22911.72 26421.86 34291.58 19213.76 1913.88 23108.07 10473.8 7960.61 12344.33 32991.49 16513.29 23444.24 23872.63 38607.49 31960.86 72878.14 35451.06 19679.37 39572.28 32773.13 31024.95 37664.87 29381.56 34494.67 27713.29 30454.52 2201.41 30447.3 23165.71 34787.74 73275.7 41648.86 23408.56 6849.84 19968.22 13616.96 26830.85 17825.45 29877.71 26253.59 28181.26 25999.14 20640.28 12480.67 21708.96 23567.16 18082.12 20736.3 21239.71 21751.33 21689.93 Asparagoside B 2689.39 1297.67 1054.63 1311.89 7091.54 1605.94 1153.88 8307.48 3726.9 2023.75 1904.28 3814.57 1751 2526.49 2202.99 3129.59 2529.44 3961.67 3927.48 2239.07 2758.27 807.95 1354.98 496.42 1102.63 1000.93 579.42 503.61 2579.4 591.45 1673.26 3244.29 672.88 1124.53 542.73 2837.57 1962.06 430.32 1127.45 571.12 1854.34 4355.57 1164.1 1007.93 8208.83 2362.89 3257.37 2116.92 1247.01 5607.2 5423.51 4231.89 3042.28 2686.48 4871.8 966.07 547.06 867.63 4931.48 556.92 1916.08 2131.83 3196.11 1885.37 1847.74 3183.43 1166.91 1060.08 1099.98 4644.53 1409.71 1335.74 3120.44 1637.57 2404.15 3391.16 3766.61 3500.66 3857.37 3762.7 3760.68 3613.29 3733.14 3746.37 Tymazoline 1649.86 3362.83 3292.88 4658.33 4571.61 7024.79 5418.19 865.44 2752.76 4203.08 2268.67 3486.72 9318.48 3837.57 3933.98 3193.36 4101.58 1135.41 3147.92 2760.16 614.81 2516.17 3562.09 2886.64 1894.41 1533.91 1803.67 1569.41 1323.85 955.65 1103.28 2228.65 1472.55 3667.83 2318.88 1198.57 2284.89 596.41 3589.86 1596.86 2732.96 957.63 3519.5 4628.9 3113.24 3488.43 1158.15 3860.22 1909.23 1480.58 2581.39 5078.34 4041 3982.85 2912.06 7270.97 4758.36 5709.94 2405.5 3673.39 4949.71 5411.91 3785.98 2929.86 3111.84 5337.02 1784.79 4016.58 2334.82 934.62 1287.07 3226.9 2509.08 5409.19 3995.89 3449.71 3652.27 3158.71 3821.46 3655.07 3514.55 3771.57 3660.24 3494.74 5-{9,32-Dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one 215.55 434.64 991.21 6268.49 16683.82 6821.89 11469.48 766.56 91.75 90.52 94.24 613.58 2777.49 91.73 208.21 2461.85 318.6 92 129.03 255.21 127.89 752.67 768.01 69.46 121.21 338.68 332.84 48 104.59 131.13 319.02 428.37 305.37 735.5 73.52 362.54 59.14 389.44 83.04 55.35 12392.46 1036.82 604.76 121.27 98.04 1457.6 127.45 100.46 400.8 127.74 65.7 165.96 650.46 155.96 780.24 655.57 48.6 131.96 715.91 2731.18 105.74 757.61 89.96 88.68 894.94 572.41 710.93 155.47 79.26 157.03 67.52 310.61 62.4 187.98 1145.64 3409.84 3462.79 3375.28 3420.07 3393.35 3463.11 3391.49 3366.86 3197.03 HMT-toxin 10613.43 6256.81 6037.12 5294.83 15472.66 4493.47 8285.94 14773.35 8978.1 14614.89 8494.29 17217.26 6675.61 9490.71 11648.44 11784.65 5855.72 14916.45 18374.34 3689.51 8456.09 8221.23 3170.37 6475.59 9972.03 7780.78 7595.92 6198.27 10119.44 3790.28 4967.46 16427.5 7163.98 8066.06 8378.6 8287.25 8717.63 6675.61 7511.53 6814.59 6805.78 11410.98 10503.85 8166.62 13111.77 13655.25 8117.4 12596.15 11392.45 13926.99 7934.28 10241.77 6561.64 7893.43 12984.79 7508.84 3282.78 9184.32 13805.67 7210.56 9343.68 8954.76 11177.95 8285.14 5540.05 15549.48 8517.24 10698.54 9807.97 9761.21 7071.23 13810.59 10951.64 8036.23 11075.99 10727.87 9814.49 11312.8 10760.77 10847.77 10403.25 10605.56 10848.1 10592.26 Hydroxytyrosol 1-O-glucoside 5447.35 2368.91 2099.17 4536.93 5243.51 1848.81 8824.77 7223.26 6932.98 6672.56 5764.08 18850.6 7351.15 4428.47 4276.06 6695.18 3886.23 17708.12 8858.94 16797.97 12801.46 2601.72 3518.84 1842.72 4290.38 4512.81 2696.14 2028.79 7243.59 3999.67 3730.46 8034.71 6547.06 3781.69 3353.98 5521.89 5320.31 514.55 10466.91 3847.5 12664.72 9213.68 5354.48 4714.93 8113.9 5944.75 5093.13 7727.34 4312.79 8691.61 5208.02 5803.81 4171.23 6188.96 6705.19 6629.75 2712.38 1735.2 7465.37 1687.68 5466.57 7193.5 3476.1 2841.82 5448.23 6524.41 11655.71 5194.38 4537.64 8911.54 4437.56 6055.74 4960.74 5669.36 6153.16 9104.7 9133.62 10339.11 9111.56 9963.53 9111.41 11938.7 10087.05 9584.11 Synaptolepis factor K1 7602.03 1968.27 4022.17 473.4 9812.29 780.94 2594.64 3912.57 10480.42 5819.28 9649.64 13711.85 1601.55 6451.75 6315.34 4281.9 4499.24 5212.98 5154.72 5285.57 8076.59 3953.76 12922.15 7342.13 1894.68 4050.46 1303.19 6172.04 7561.33 8240.35 1675.77 11901.01 1094.66 7180.28 3468.11 1604.52 7456.07 1597.9 5902.74 3057.67 3878.34 8046.57 6204.81 7962.21 13294.16 2354.38 3582.04 810.79 27053.81 5815.97 10069.91 1305.72 5176.23 3414.6 11941.85 2139.87 1222.24 2164.46 13828.51 5231.94 7527.49 2079.24 2683.52 4052.08 2905.76 10710.18 1684.42 14253.02 3439.41 5453.27 4735.14 17027.61 6072.07 3092.76 7423.84 2541.97 719.74 2972.76 13140.26 4788.04 2783.72 5350.28 3742.81 4092.42 3314.14 2785.37 1242.43 4075.25 3750.91 2476.85 2954.35 5918.97 5872.64 2753.78 4979.82 4102.39 3390.06 4710.02 4411.57 6524.68 6880.13 7472.45 8663.21 7131.07 9713.69 7957.9 9468.86 8951.41 8666.34 Hymatoxin A 1269.16 1071.65 783.66 581.74 617.43 1475.56 955.42 2923.76 2518.36 1097.96 1259.86 1156.81 687.87 776.78 2788.95 1622.81 396.65 545.83 375.83 3725.44 471.94 382.64 494.83 462.93 509.68 252.39 350.95 207.4 1496.31 868.93 588.01 449.04 1013.4 228.88 399.51 839.28 1851.34 1528.15 308.97 553.48 1596.9 3004.4 970.39 669.6 819.99 835.74 4647.76 478.84 811.72 1504.48 365.82 694.02 720.04 481.59 1313.09 600.44 486.09 590.01 919.71 708.38 524.58 607.77 1190.82 867.51 1117.27 3473.5 1607.19 1042 1223.3 3064.91 4815.65 1712.17 2434.19 1188.09 1758.92 1452.18 2420.39 2477.06 2568.98 2369.83 2451 2513.81 2362.4 2399.4 Prepacifennol epoxide 794.83 4495.48 8267.1 9952.04 9585.57 19173.25 11010.31 5444.42 4655.52 10130.8 11040.29 13589.6 16510.54 15231.01 6578.75 7675.48 8703.01 4502.91 16681.35 810.02 14293.26 52419.12 11990.97 13317.31 4535.33 5982.2 18998.65 12296.58 5260.61 26704.52 1016.08 25046.29 1703.61 26708.18 37828.22 2958.25 5289.02 15860.92 13588.76 22920.05 17334.64 10680.84 11648.14 15943.69 6614.53 8231.43 1341.36 8919.14 4251.27 10195.78 2935.07 863.67 17218.1 16925 6171.34 1284.13 9699.91 12356.61 719.81 20992.32 7617.47 17885.84 1143.2 2915.59 1421.69 9534.66 563.13 11834.22 5261.41 3429 4429.55 17059.84 16292.33 19091.77 9447.97 10120.73 9042.24 9885.67 10126.4 10097.8 10197.29 9874.57 9871.69 10117.34 Obeticholic acid 2856.7 2895.09 2485.51 2127.66 3528.91 1066.65 2088.28 2375.15 2649.7 3082.23 3207.76 3709.48 57590.28 4223.18 2373.25 3185.48 3167.87 983.75 3109.34 2880.44 4665.26 2513.94 2993.01 3794.07 3035.62 2967.9 4671.74 3414.98 3386.37 4644.51 3144.41 3335.09 2823.64 3456.38 4889.72 3294.47 4054.09 3251.87 4004.78 3750.06 7675.85 3247.21 3675.24 2812.69 2929.13 11480.94 2129.8 3578.92 3310.33 9123.05 3167.58 8328.78 3106.22 3730.35 2339.15 2814.58 2915.16 4314.24 865.42 3969.63 3377.35 4190.86 3474.92 4643.03 3891.13 3161.78 2029.94 3113.7 4445.94 2400.07 3688.68 4109.75 3775.03 5357.05 4815.07 4990.45 5068.89 5021.74 5176.23 4905.88 4756.64 4989.63 5069.76 5067.18 Anhydroamarouciaxanthin B 3269.89 4374.88 1354.14 2909.49 4526.47 378.43 1332.77 8737.4 785.12 2198.76 4186.81 13057.4 13572.63 13723.15 9445.35 8027.13 4955.37 10582.99 12686.01 2406.2 3936.41 810.1 2815.63 4440.79 3857.5 1194.92 1499.46 4528.38 2346.63 7313.31 2038.65 7293.99 2098.55 850.33 2823.97 8208.78 7915.89 374.61 7328.27 5154.03 4022.02 5667 3602.21 5296.02 9874.12 8474.81 6903.3 6611.44 4880.7 11434.05 4123.02 2681.17 8284.83 9482.3 9947.91 4720.45 1006.38 1273.88 5875.52 925.18 7132.98 3849.61 5744.55 5947.01 7915.3 9848.54 4317.48 1388.3 10317.64 10763.8 3112.93 6212.52 12284.23 3346.76 5677.92 3029.49 8677.28 3745.82 3893.37 3516.18 3042.68 2614.62 2696.61 3419.9 1915.26 5462.55 1995.82 3701.58 2383.18 3173.93 4159.26 2653.13 3303.96 3923.31 2504.08 2306.15 2105.65 3804.31 4667.41 2737.18 8016.64 7984.47 7983.58 7720.24 7994.47 7421.25 7846.05 6648.22 7914.02 Megastachine 5018.82 4189.15 815.18 460.32 1916.78 5691.85 7004.3 1530.89 6111.33 6162.55 4632.58 787.88 449.18 348.82 8604.97 11808.78 6120.85 3368.28 13226.07 5885.45 966.1 2419.31 4426.8 792.05 608.32 4580.94 3902.79 2380.45 10317.1 975.11 293.79 374.14 3612.72 1373.83 1318.35 1686.81 552.09 1664.87 988.14 979.76 3129.43 317.19 4321.19 516.69 26198.38 3513.22 6160.98 5011.64 2780.46 7075.63 4106.62 5997.27 3081.84 1357.3 755.44 4433.23 307.89 2212.95 547.73 3309.6 3790.98 3719.81 5547.88 4212.65 3233.47 575.43 3710.5 1011.63 3515.41 1853.23 1982.72 16839.93 4996.77 3655.51 4601.01 6333.42 5164.16 6637.94 6130.53 6704.91 7856.57 6690.54 6245.68 6153.93 para-Imazamethabenz 3773.58 4068.37 1221.4 1186.52 4905.81 5722.58 4251.88 10135.3 13724.28 2432.69 3855.04 9309.85 7584.76 622.06 3665.95 5974.94 1448.22 9032.28 7970.84 17478.09 4971.16 9447.52 1762.89 708.75 6813.25 2825.12 1439.23 1718.12 1016.58 2353.6 7164.66 3912.69 4293.3 2367.18 2263.84 7324.42 1452.89 1022.02 4324.43 1524.36 16912.36 10487.04 2630.31 3685.92 12318.43 853.53 14527.2 5070.34 3014.83 7740.4 3662.22 2720.44 5566.48 2991.68 5062.17 1917.51 989.5 1675.32 10928.69 375.54 943.18 1688.35 5509.53 6161.95 4022.02 5340.92 4931.49 3185.66 2784.03 8272.84 9146.62 1608.21 5579.96 6758.41 6748.99 6919.54 6487.88 6500.65 6676.43 6994.29 6894.75 6413.7 5638.56 7115 2,3-Dihydroxycyclopentaneundecanoic acid 6748.55 13618.84 66647.13 53230.7 176068.75 184830.38 262347.5 9783.9 10048.19 12119.9 19033.46 13274.29 118565.76 19254.17 18203.7 32788.23 14664.89 9556.7 63350.71 9944.46 8580.15 9363.78 21622.13 8934.09 4070.96 4839.94 6447.97 6703.71 10146.84 9946.67 3112.89 19806.99 8156.27 49769.84 18621.13 8654.55 7720.91 6881.46 14478.74 4910.04 72413.97 11914.08 27650.4 12914.6 20499.82 52873.42 4330.36 23213.98 8739.93 13455.85 9227.87 24795.72 12030.84 28670.95 30263.75 9381.85 13209.27 20352.4 12192.45 25406.84 21305.98 35048.34 15424.13 36443.55 23688.37 14436.86 6723.33 9513.71 8420.04 8481.02 8871.71 54226.81 8747.15 36971.72 36972.86 31506.24 31665.56 28751.11 33612.51 30197.91 30364.98 29598.02 26000.93 30007.19 (2S)-4-(acetylamino)-2-aminobutanoic acid 20029.59 22900.41 11151.13 17569.83 6923.37 7044.32 10031.01 10247.75 16967.88 18507.57 18713.64 21149.06 20060.4 20911.69 12035.61 12045.35 18268.29 17813.35 5124.95 5491.11 15976.78 24125.16 15631.56 20828.7 20294.58 24020.14 23908.54 23759.66 16096.64 21972.69 22686.59 23867.66 16325.54 23973.46 34960.23 21504.25 22628.11 29469.44 21476.96 25987.22 14431.73 20605.03 15494.38 23556.42 12861.14 17854.49 12544.59 11444.97 13865.09 8754.3 19291.73 39719.35 20271.17 19077.1 7615.76 21526.2 23284.12 29981.06 15774.34 22797.69 22231.22 20050.63 17401.35 15945.48 18580.42 16741.81 20492.16 22354.84 23891.42 18167.12 16859.45 20748.84 20265.79 18572.17 24279.04 13251.18 13597.06 13852.89 13706.99 12911.13 14800.28 13728 13695.85 13038.41 alpha-Terpinyl anthranilate 12784.89 8677.18 7384.24 14383.8 20935.66 25101.25 25427.38 16353.37 13647.74 14051.19 19317.02 23141.56 27314.95 14879.65 11328.61 22037.53 14352.38 14642.74 27639.14 9111.7 8482.15 1360.55 9992.29 8895.51 8118.56 7106.6 6844.3 9397.45 8207.19 4535.51 15302.12 16309.57 8024.89 9122.79 8875.45 8480.57 8166.75 3072.79 11547.4 6452.74 9816.49 11301.01 13836.14 13191.07 36389.46 19998.27 16062.22 14196.9 11411.1 23915.62 6064.52 10996.52 12638.33 15291.54 11823.11 28316.02 6842.68 9366.05 14727.97 9660.41 11567.11 12943.49 8398.81 17421.73 16447.09 15654.06 10329.27 15524.9 16602.05 13233.71 14990.13 16266.57 33822.22 17493.18 18737.31 17041.72 16789.37 16771 17317.91 16487.25 16950.98 16774.91 16709.14 16775.89 6-Phosphogluconic acid 1802.27 1168.23 628.37 1833.79 4613.91 2231.44 2256.56 4525.51 3939.8 3471.34 1957.02 8202.57 6886.83 3726.95 3748.3 3480.49 419.88 3675.52 4417.88 1972.7 1548.85 2180.93 479.44 1058.66 512.62 1262.55 277.63 505.33 306.88 1584.62 389.47 1710.1 1571.24 957.73 424.8 1037.85 1208.09 698.96 1895.6 330.16 2852.85 883.25 1482.84 2826.98 3999.99 429.47 2859 1351.21 1068.2 3765.36 516.43 2843.85 626.74 1850.12 2249.33 2514.6 628.01 604.58 1734.2 341.93 4329.38 4155.26 2642.24 1574.43 1204.7 4600.01 1518.39 4504.27 2969.31 3194.62 1766.41 900.44 1255.68 3256.43 4383.04 3848.15 3954.71 3795.49 3953.92 3922.37 3939.21 3890.77 3853.95 3962.87 Morphinone 2573.75 2663.56 3371.76 3218.96 1452.06 1790.83 1872.84 1287.92 2444.93 4407.43 3496.22 3142.18 1429.08 4187.56 2841.49 2135.42 3785.66 700.11 828.06 1771.13 2428.13 3698.12 3874.22 3870.33 3359.39 3527.26 3871.76 4030.85 3244.61 5186.12 1170.28 812.55 2427.6 3327.21 3518.75 2264.62 4334.54 2008.6 3921.53 4179.44 2718.84 2347.1 3908.68 6081.05 2151.96 1415.77 2229.46 3059.89 4544.01 946.19 1386.52 3573.06 2674.12 2505.34 2849.32 3687.29 4726.97 5315.19 914.41 4357.53 4487.17 2892.5 2245.56 3623.69 4029.72 1167.72 1873.33 4383.76 4699.76 2200.72 3076.07 5432.85 3104.41 5492.69 4829.16 2372.63 2360.35 2362.86 2215.35 2434.12 2414.84 2523.71 2358.69 2434.62 (4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate 93220.28 56392.01 25388.2 23170.2 74707.71 85412.82 35094.46 72347.28 54332.55 109820.68 86089.4 101298.52 55837.82 69970.1 70615.23 60042.32 39545.79 88639.55 96575.72 61417.96 23655.9 26179.29 36646.05 35815.6 66399.09 46024.66 36019.85 43534.49 50014.25 24352.78 34203.65 26977.64 54908.58 26759.25 31740.79 63798.87 61601.64 24821.61 51747.42 34969.17 67133 97354.98 53296.64 53038.75 106435.39 35643.99 81413.88 103417.28 97908.33 125913.31 95359.36 118524.74 56168.03 51521.43 42022.17 87146.11 27468.31 29581.99 74173.5 75067.07 74469.04 76946.94 94850.56 22938.94 37868.18 99474.48 59857.83 70221.28 54252.46 47944.08 59605.48 51347.37 70481.18 52132.62 42739.89 60514.38 61743.21 61749.25 62198.14 61381.12 61382.55 61745.46 61375.38 61488.33 Hydroxystenozole 1722.32 2940.81 1360.02 539.39 1478.1 682.95 502.13 1534.93 1176.76 1275.37 2408.46 1309.94 933.12 761.36 560.01 966.63 1419.78 2681.16 614.6 2017.91 1328.5 1337.85 1273.75 1214.56 1348.31 1151.05 813.13 1218.61 860.02 2086.03 981.94 1003.26 2222.22 1455.73 662.46 1448 1697.3 889.2 1111.07 1628.84 3041.06 1877.14 982.78 2797.49 1247.61 785.76 588.29 873.03 1802.18 1152.71 1401.16 1686.65 708.35 1469.94 864.81 2616.61 1117.31 2853.17 2700.53 3266.27 2493.01 817.26 1724.18 3088.98 4163.31 894.43 1498.53 939.56 1259.95 1008.23 2978.55 799.17 2698.61 2435.78 2459.62 1202.27 1190.9 1347.85 1291.27 1379.15 1311.23 1534.08 1207.72 1010.19 Spinetoram J 8289.37 825.9 419.07 2140.43 10584.28 1794.85 2570.95 5367.01 3023.4 4200.92 1854.68 6499.46 3970.42 1222.59 3499.92 1984.84 2830.76 2176.36 3554.21 4405.98 3847.81 3179.52 1435.59 573.21 1442.13 3773.01 1013.68 628.45 6265.51 1063.09 2945.49 2996.37 1164.39 2018 1341.72 3043.74 2413.7 1271.2 1737.82 600.56 14066.68 7345.04 1171.08 1751.39 5164.62 2536.76 4798.82 1581.87 1148.5 3321.58 5177.3 3538.72 937.08 360.36 4425.42 1787.54 1325.8 1210.56 4776.07 4759.33 975.34 2771.56 1989.55 510.81 1188.34 4754.68 4093.81 2188.74 2795.49 2546.22 3449.41 5933.57 849.33 2061.15 1906.03 4664.22 4904.96 4485.68 4437.91 4639.54 4678.81 4407.92 4656.39 4711.21 beta-Obscurine 6092.06 14682.61 37150.12 66599.71 8550.51 36694.07 40281.22 9625.91 10217.5 38256.25 55273.59 21115.61 47310.82 26416.38 11044.59 26394.49 25077.27 10108.2 42021.04 11129.46 4897.44 15569 18511.67 22507.92 7388.01 8879.39 20801.88 19109.71 8719.33 5363.75 5997.72 28788.34 6922.21 35443.68 17437.5 4937.08 5937.22 6803.25 19843.26 11050.82 2747.75 11632.62 56325.48 48748.18 10832.84 22501.9 17678.83 24610.45 18292.71 17551.21 4488.4 15868.13 42717.67 33389.66 5978.19 13860.24 18843.94 33567.65 9270.84 8056.73 24088.98 24343.59 8540.34 34877.03 20543.34 10613.1 7580.29 30784.67 32630.23 9990.79 5805.77 24263.28 22405.74 37833.84 38322.89 22909.46 23042.86 22770.64 22781.34 23040.94 23393.02 22847.6 22945.08 22561.29 ent-17-Acetoxy-16b-kauran-19-al 12889.1 18628.36 18969.8 15177.63 7991.36 10099.66 8089.88 16572.92 14901.49 24404.18 16552.33 13787.93 10645.23 21192.84 16391.15 14246.48 18175.06 19716.85 15464.41 14371.96 12255.09 17709.81 20397.3 17159.43 16250.99 18220.22 12355.79 15279.94 12785.56 27108.38 12590.03 14196.96 19857.98 14995.45 18403 15229.25 21002.96 10262.28 23573.49 22866.39 12499.54 11729.65 21322.06 31895.09 15275.98 14017.69 16658.55 17513.12 14198.63 12359.45 12082.81 22795.89 23021.73 13553.64 17015.22 20581.13 21190.61 27245.8 21892.79 22956.83 27793.71 24234.32 18967.3 26153 24226.84 12525.79 15507.57 20237.46 26338.31 19002.19 17441.5 21398.49 15276.87 22858.63 18348.37 15153.34 15609.62 14999.47 15225.09 15480.79 15477.85 15414.03 15348.83 15491.88 Mycinamicin IV 12490.69 5198.55 4244.12 6858.37 27183.75 3112.45 5269.65 28652.46 17898.67 11004.39 5935.38 11524.8 9394.99 7590.33 12838.97 13586.22 9021.59 12491.94 24168.93 23124.08 16162.59 1646.47 6773.55 3728.9 11276.36 4652.05 2862.75 4503.34 18155.66 6155.05 7314.58 15349.72 8224.55 3979.52 2933.76 15721.28 11265.76 627.45 6004.07 2748.75 12866.97 18371.69 4855.22 4182.21 24594.35 11232.13 18122.72 11926.95 15967.45 15760.73 14531.88 9196.07 9919.41 6942.01 17204.75 2501.32 566.61 513.01 19611.23 894.51 6767.26 7218.11 10288.53 13466.77 11678.94 13902.8 2557.11 7580 7184.8 22274.78 14031.89 11086.33 13213.17 1729.58 9590.84 15353.02 15338.23 14980.49 15518.93 15490.06 15526.71 15500.85 15538.74 15226.7 Ethylmalonic acid 1661.7 1309.42 1057.16 397.17 5465.63 4255.73 2116.11 2081.55 617.4 1003.98 400.66 3467.98 4158.33 384.96 12531.98 1318.59 334.89 2212.38 6791.44 344.9 218.9 1075.22 712.69 884.08 1254.21 1429.72 1007.51 1120.16 1668.69 1061.33 717.99 1489.64 1513.19 638.9 717.85 1400.13 1404.52 636.29 849.49 584.03 216.32 224.53 1260.86 984 676.82 388.61 1344.98 1198.08 1602.25 303.04 1688.83 1567.06 1277.09 1254.56 277.81 293.04 527.21 279.16 1424.37 1069.38 653.54 1619.09 1342.88 359.39 993.45 1291.01 1589.74 4066.89 296.3 394.41 426.46 302.35 1175.13 994.07 771.39 3258.23 3346.71 3426.34 3907.76 3219.51 3370.38 3352.63 1771.93 3158.77 Levocabastine 4607.36 2919.92 6130.38 1742.22 1403.92 1634.07 1709.93 2523.58 3510.21 4936.7 4982.16 4882.85 1150.16 5937.55 2801.24 2292.77 8213.82 1604.54 2344.01 2139.02 2809.01 3697.85 1504.1 4739.39 3756 3039.66 5315.2 3979.63 2613.87 4123.07 2606.82 889.78 2436.14 4207.1 5335.71 2190.77 5701.4 3122.97 5426.9 8266.42 2001.87 2210.6 6630.38 4086.35 1336.05 2561.81 2175.46 947.33 3659.55 1134.47 5991.81 5788.97 3470.94 6290.03 4032.76 4829.33 8615.81 5745.81 3328.47 3481.69 6725.5 1006.23 5567.04 10013.43 6222.97 4145.54 944.11 6700.54 3727.9 3141.11 2635.01 4132.58 6433.07 7632.89 5574.7 2786.5 2830.15 2785.85 2679.72 3350.12 2768.7 2787.81 2521.84 2519.25 N-(3-(Trifluoromethyl)phenyl)-N'-(2-hydroxy-5-chlorophenyl)urea 32769.42 35722.75 34208.08 36866.39 34640.72 31216.48 33623.71 31359.29 29450.2 31731.72 28486.31 29706.25 38659.44 35064.9 31013.91 34985.5 33984.57 31105.69 31090.45 30930.39 35364.28 25587.3 26562.6 32971.82 33504.93 27594.21 27805.56 33522.63 31935 32266.19 31868.13 29792.73 29289 33329.42 40775.29 32084.56 27372.4 29926.68 30406.2 28204.52 30072.08 34449.87 27015.78 31033.66 33656.21 33080.2 36220.47 26525.87 28229.46 31979.75 33533.3 31114.94 28197.61 27193.14 28103.76 28618.71 24076.3 37491.72 31603.3 30063.66 29679.92 31670.55 32387.14 24006.88 24993.32 24416.02 28851.68 29528.6 29496.28 27544.99 24511.51 28275.56 24044.92 24972.04 24091.93 207307.73 198295.95 349423.06 183586.55 218187.75 243982.27 238175.9 363748.25 275732.94 399725.57 291601.57 354149.47 347535.97 208842.58 326017.07 311602.86 364137.03 372269.92 363386.68 365654.44 393953.34 368180.42 365229.1 447610.78 389230.99 25200.68 25190.98 25174.21 25157.74 25334.99 25495.66 25555.44 25504.42 26661.95 2alpha-Methylprogesterone 7125.27 4976.98 1239.66 930.9 4198.64 6215.63 2177.9 5058.28 4457.76 5069.11 3971.27 8275.51 4533.14 4531.57 2166.06 2169.26 10902.55 7776.66 11711.73 2039.04 14503.89 4909.8 3182.22 3608.82 1895.03 942.94 1397.45 1956.38 6978.68 12415.2 5503.16 6305.16 1545.54 2476.5 3436.79 5443.28 2698.28 1472.34 1626.73 1236.51 1624.16 8703.51 1629.14 3273.4 12295.48 965.04 2420.78 2965.96 5506.67 12967.85 7294.94 5713.61 4976.89 5841.61 638.79 5467.91 1576.01 2084.89 2672.82 1441.44 1189.16 1598.83 3460.14 8521.42 3212.24 8004.44 12242.89 1284.67 5074.61 4089.98 4836.73 2652.82 3135.93 2186.93 5459.69 4547.35 3905.11 3728.83 3717.09 4310.8 4578.39 4503.06 3752.33 5829.56 Fluocinolone 905.51 2843.86 718.5 2203.12 3003.96 9518.18 8169.4 6796.61 5097.35 6554.59 14115.24 1176.74 8290.22 5009.81 4619.22 9785.02 4272.14 9197.14 12485.5 4319.14 2911.05 1922.84 1297.18 3305.69 1734.22 677.93 3100.51 5181.25 1155.07 1460.08 4186.38 7636.26 2004.66 4457.66 3291.24 2112.94 3417.93 653.74 5415.26 2503.89 6168.56 2495.89 6592.46 6234.74 9482.58 2698.67 8150.69 6166.09 2742.87 10000.93 670.03 5218.31 5102.13 2263.41 3465.33 3660.24 3191.4 3513.34 3533.38 1754.56 5879.73 3826.04 1641.91 10025.27 7699.93 1548.86 2173.9 3882.18 5647.3 2943.96 3500.22 9084.49 8333.95 7245.84 9239.97 7194.99 6855.55 7160.92 7693.42 5940.61 7101.47 7235.35 6303.87 6268.04 L-rhamnonic acid 208541.96 166595.92 230498.55 223526.29 172189.89 184382.08 216455.07 185900.38 181058.57 212670.24 192565.81 190610.16 182529.55 204586.21 190138.01 214080.38 240193.58 185082.16 218088.68 215691.07 179419.68 223188.08 214532.45 212368.23 261171.61 224955.97 250137.11 260824.96 205154.63 250563.76 235795.37 204922.29 222591.62 217575.81 302445.63 253025.21 173918.59 263620.77 254296.47 225244.58 204682.04 236026.48 227584.5 200009.44 230755.4 225878.9 267762.22 229345.67 231054.68 232259.09 287955.32 240613.54 236483.29 234644.41 234778.38 224174.47 217846.56 285488.75 197879.65 236083.08 202237.39 240232.87 254277.12 223748.31 212401.09 196954.13 196223.65 187472.2 205015.16 222032.92 204192.44 237134.7 217719.91 195966.87 199589.03 201998.58 201474.31 202327.88 201197.16 200540.34 202321.65 202315.88 200344.93 191035.78 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate 601.17 968.05 819.26 2054.35 2108.17 1071.48 1797.17 2131.39 4119.21 2522.1 1468.16 915.52 3269.49 819.39 3292.79 1043.88 1907.57 1027.94 1118.28 3515.03 732.87 611.3 849.85 697.24 1264.74 430.39 632.33 796.68 1058.55 899.98 534.13 552.36 686.53 804.65 764.62 784.91 776.25 1081 1495.58 532.45 571.28 884.3 478.69 1047.2 1051.76 1158.86 923.08 619.61 799.46 514.84 553.8 681.89 585.61 1142.52 431.64 1839.94 513.78 812.36 644.22 967.86 1516.02 2760.81 1237.5 1747.06 2261.66 1430.2 905.94 1224.97 662.09 674.88 755.66 2475.54 1269.8 2382.33 1279.39 1303.4 1247.26 1183.49 1301.86 1254.77 1175.87 960.37 1154.23 1249.82 Makisterone B 94666.12 93352.01 41365.18 38384.32 23942.58 29436.66 35199.71 57961.83 122465.11 99828.56 121866.09 60804.36 40014.57 98390.35 86719.91 21837.23 95352.59 71954.73 58145.99 129067.13 44376.16 124530.55 15646.57 79928.62 76360.55 125086.71 138568.34 129340.9 32992.07 126153.14 90890.38 57610.52 11684.13 66498.41 95874.58 58507.68 99129.37 128595.31 140647.79 175560.95 72200.95 68515.87 74532.54 190293.18 75436.02 52318.84 67160.26 59910 12096.71 40434.5 75590.63 20906.83 61984.56 71342.59 7331.44 134968.46 92975.28 143721.82 85485.06 159830.4 128141.87 116837.34 16659.91 7403.23 65177.66 87773.41 94646.46 153066.7 174311.26 69220.17 115438.81 199187.02 86660.76 68845.03 90978.99 105660.6 102068.5 101470.4 98077.29 102645.49 104600.44 125222.25 99737.55 101966.96 99721.0 97378.52 108588.16 102322.82 103077.93 98407.13 103651.82 104823.93 103788.53 99606.35 99359.33 104274.74 103644.7 96665.83 103869.39 100685.1 42753.04 42003.7 34464.69 33109.86 38164.63 40061.29 41730.91 43864.66 32551.5 beta-Selinene 1518.08 731.33 612.01 1365.06 765.96 456.31 1630.23 695.87 1076 1252.8 1376.36 1332.26 1213.24 1627.16 718.03 1211.1 1234.49 1041.64 914.65 1526.41 598.48 874.42 720.8 719.01 728.06 672.09 602.32 739.97 919.15 1894.06 552.89 425.67 777.42 427.07 872.12 720.44 618.97 505.6 977.74 1182.48 929.29 1202.24 821.68 1325.02 1366.8 1377.52 2194.44 1648.9 1250.04 1174.76 979.33 885.15 706.91 529.42 1303.28 1111.46 1110.29 1278.15 1143.05 1612.07 1252.77 1444.89 874.66 1450.4 740.36 472.21 953.04 420.51 1089.38 795.89 1740.41 1325.8 797.13 1504.59 746.27 1319.31 1319.9 1248.97 1267.6 1268.68 1328.25 1223.75 1404.24 1239.76 Phenolphthalin 3738.82 6006.38 10753.07 3597.67 2953.39 2485.5 4904.22 1134.51 3685.17 2299.35 8128.39 4660.5 3266.64 1145.48 1500.13 8562.42 12853.26 1242.33 5199.95 4051.9 2009 3685.32 5420.9 10220.68 7428.99 14810.65 14389.06 7809.74 6621.18 7304.33 4928.15 8034.52 2182.35 8015.57 12451.33 4420.7 11105.44 1646.4 6455.51 9775.34 2532.36 2252.67 13423.44 1587.93 4001.49 1782.74 6166.37 1837.84 5564.85 4055.77 13774.7 5229.52 14894.05 10933.77 11984 1455.94 11294.82 24249.95 3842.57 2163.37 1945.38 2391.63 2717.1 13591.98 9272.1 3411.52 2715.95 2491.6 3641.94 5984.77 1240.12 7922.19 4480.46 19510.5 12129.76 3422.86 2791.76 3526.87 3352.85 4492.69 3559.6 3756.5 3759.25 3857.2 Z-Phenylacetaldoxime 8769.96 6253.83 6981.82 10929.58 15431.35 21619.4 12713.04 10919.56 12302.13 9530.2 13824.29 13309.02 12726.56 10427.42 9939.9 16230.56 6455.41 9125.82 9390.97 7233.62 4738.15 7959.21 5814.16 5863.47 6276.13 6940.79 3654.57 5997.79 5404.64 3630.69 3876.65 10297.8 2996.33 6859.75 4796.02 4649.55 7308.57 4130.28 32232.15 3723.27 8207.37 24471.49 4882.46 7073.08 11226.77 14318.85 10516.89 6333.95 6894.9 8322.14 20314.93 9308.65 13911.88 8632.47 12273.17 9146.43 5749.08 7213.32 12601.75 9336.93 9620.03 8567.94 13897.26 9331.77 5977.57 7690.6 10357.01 7379.2 6238.53 10336.25 10438.68 12509.21 8379.09 11098.06 8834.18 11881.13 11736.54 11291.05 11005.36 11889.82 11901.82 12635.38 11500.73 11485.66 Pyridoxine phosphate 2962.09 6416.21 2478.7 3261.2 14941.26 4264.65 5492.23 9541.37 11085.92 8064.81 12602.79 13525 9941.95 6953.49 7518.98 12380.83 9175.52 14853.41 10188.42 12764.55 4649.43 2425.25 2383.83 3150.68 4403.71 4129.35 764.89 2844.11 2347.91 2218.64 2865.23 9319.63 3023.3 4524.21 6073.48 2636.11 3320.64 538.27 5235.62 3292.9 10921.01 8023.73 7935.07 4362.15 16460.5 4155.65 14470.4 6749.14 2868.22 15947.63 5617.79 4998.55 9536.86 7405.05 5965.7 6282.37 4567.21 6772.84 7766.18 6350.05 9275.31 4440.54 12707.21 6187.79 11298.79 11992.03 9302.43 9367.26 11457.26 13008.25 11035.3 10242.96 6950.91 8356.51 6703.04 7383.11 6949.76 5916.2 7379 7018.49 7148.55 7276.33 6894.5 7806.49 Gambiriin A1 20583.26 1812.54 7067.5 634.19 1515.57 762.37 2408.07 1154.29 2822.83 3906.67 2600.91 2721.6 4031.14 2915.96 3055.74 1731.3 2165.7 927.91 2816.16 669.15 3766.33 4687.71 6017.32 7838.39 3511.47 8313.13 8872.33 8400.38 2394.22 2048.3 2959.66 2217.45 1836.51 7600.54 8966.79 2516.59 3871.67 4713.3 5009 8515.01 1479.02 18545.77 5612.34 8343.68 2775.96 1383.9 1353.97 2565.23 5906.8 1167.06 1825.59 3714.75 3501.4 1712.99 2885.6 3805.65 7561.61 7639.21 1124.18 4373.33 8338.23 5090.13 1703.32 1143.77 1712.28 1739.91 2429.27 6467.09 1111.18 3620.22 7943.31 3302.71 3033.93 1171.89 755.67 2396.54 2357.36 2223.11 2047.9 2548.24 1423.34 2640.2 2073.2 2148.36 lucidenic acid A 1169.61 2192.22 1048.06 2685.07 1566.21 1138.06 3449.37 1193.44 1822.77 1211.03 1674.73 3745.46 5685.06 9430.36 5133.56 1218.5 1242.68 1488.49 4423.51 1674.88 1405.83 1312.45 1047.61 1017.76 1339.97 846.12 735.55 827.44 1064.26 1743.7 734.14 5126.54 1009.06 2036.43 1199.76 885.18 1193.73 791.43 1408.9 1055.67 3386.57 1217.12 2278.76 572.46 5947.53 1299.18 1220.58 970.1 788.91 4365.7 1073.93 1099.43 1160.8 741.51 1012.6 851.26 1282.66 1328.9 1091.37 1701.11 1393.66 2817.64 668.33 1205.93 723.44 1069.27 2270.51 1197.77 1456.56 1302.62 1691.68 543.79 550.46 1016.93 1040.07 1077.93 1108.53 1166.1 1175.73 1215.63 1129.88 1118.39 1111.56 1141.04 Rhodojaponin III 9,11-diacetate 2235.93 1759.11 342.39 340.71 352.41 1000.3 1219.31 1957.9 668.18 7248.52 5785.91 2240.43 324.01 5290.19 1406.77 2818.78 1111.61 652.21 5845.07 10297.54 1302.89 501.73 4385.9 701.77 3542.55 1577.06 913.05 1253.96 4474.72 814.96 1990.4 999.74 972.89 4354.18 393.41 319.32 1085.85 658.2 5140.1 711.5 1551.22 7664.82 3865.93 498.99 1213.9 6205.79 2502.56 2829.26 324.2 3106.81 1582.79 796.14 7558.59 5226.19 1725.85 1544.12 412.56 771.4 1831.54 1779.29 570.2 5309.08 2828.69 5578.91 3631.34 5658.76 2127.79 4713.91 1430.19 3937.49 1361.27 3431.18 283.77 5472.42 2216.82 3040.73 3610 2019.69 3214.3 3754.24 3109.15 3143.03 2476.86 3361.68 Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)- 1523.32 2005.24 3868.58 1682.35 1184.45 3480.47 6156.25 9139.84 9427.19 6153.2 6419.96 877.56 1404.73 1016.5 5147.36 6705.75 341.17 1643.96 15195.36 2847.84 3622.18 1674.33 1668.76 1867.36 1498.2 2435.7 2724.03 4484.64 2787.01 1049.54 4326.44 5443.87 2299.51 479.87 2459.74 3774.3 2456.45 1601.58 2123.81 1327.56 4313.59 4441.55 2257.88 2086.94 2918.6 2956.89 3366.55 5405.73 4714.82 9533.41 889.44 2113.78 3378.57 1406.35 5225.15 2427.38 2277.37 3516.03 910.01 1284.96 3462.09 3098.41 4217.26 5438.83 4358.19 6729.44 5109.52 8165.88 7815.45 5910.65 4664.86 8492.3 6349.25 4006.76 6232.9 6538.72 6680.68 6676.92 6842.9 6674.17 6804.63 6707.3 6941.37 6669.62 Lucyoside K 11188.86 7595.88 8631.16 7300.74 10452.53 5795.5 11268.42 13485.71 18751.01 4660.27 9252.85 14653.61 9353.99 11061.25 12932.51 10488.57 16553.16 11645.66 12042.13 10986.46 8289.62 1193.4 3676.88 3546.67 3768.82 1138.35 3036.93 3098.38 5418.55 532.21 3226.11 7808.8 1264.63 2418.02 4276.95 4977.27 5589.46 3228.08 3635.4 2867.15 14267.33 36226.21 7424.85 14597.72 14918.87 14708.98 14472.67 16281.54 5877.39 9463.65 9952.84 8158.11 4204.47 7925.49 11319.97 10421.25 5279.26 13272.39 10942.77 7390.62 10520.78 7003.87 15108.19 13762.89 15089.19 13809.08 8878.1 10378.44 7596.37 7736.48 11064.3 16479.64 15211.91 14259.85 18080.42 13674.36 14215.63 12548.95 14841.98 14612.24 14573.32 14903.17 13945.43 14033.2 1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (R)- 18361.58 24492.08 5204.51 2202.49 3280.76 37658.65 8397.88 26777.1 26763.58 27790.43 4044.4 8464.73 8483.6 4028.62 41017.1 10193.86 9713.84 27484.77 11994.81 3301.92 13059.9 30400.22 5009.34 4146.07 15409.74 21758.71 4776.64 5945.33 17586.87 4442.16 7267.38 3072.24 18225.34 4909.52 3471.92 8578.68 16172.92 1831.44 5231.88 5351.16 7182.9 27719.47 14995.69 7854.08 17344.74 7964.38 41553.53 10732.47 5987.44 14034.35 7149.98 31144.46 6238.41 6031.54 19432.64 33363.31 5312.31 7548.2 30516.96 28523.89 7450.48 4991.45 27505.06 13383.74 20669.68 27235.63 42507.8 6330.54 13020.47 28140.9 40353.76 30476.44 4568.54 20799.17 3657.9 18237.2 18975.29 18902.13 19041.48 12692.49 18527.78 20156.9 18217.43 18289.22 Mycinamicin III 6741.91 5002.1 1286.99 1434.96 18869.15 1293.44 2911.6 32168.58 10751.25 2213.79 5278.36 10691.49 5391.21 6611.13 12366.88 7977.5 3963.83 7096.27 17219.12 28344.37 14584.08 345.87 2339.63 1168.57 5031.26 2834.32 497.2 1042.14 13346.05 7183.24 1745.9 7878.81 4184.42 2147.63 827.39 11213.53 10938.12 824.52 2344.26 674.72 8203.57 11690.35 2171.38 1548.65 20030.95 5283.02 19616.98 7891.6 6151.26 11403.36 17484.46 6521.66 5931.32 4642.42 15390.19 886.82 573.06 937.01 15987.32 914.3 2925.72 3176.74 8127.95 14273.35 8598.06 9350.54 1846.8 3276.38 4297.57 28442.41 4450.09 4200.36 10086.55 2562.31 3779.54 9724.45 8703.01 6883.19 9269.29 9483.22 8069.24 9084.5 8532.13 9485.6 Ganoderic Acid C2 5266.08 916.19 2329.66 2317.45 1431.56 3669.04 3995.43 8068.17 4034.08 8586.11 2152.04 4634.81 7598.69 4091.97 5600.7 5176.44 3250.41 4302.75 4398.46 6205.31 1852.99 3521.42 2184.22 1572.9 2129.94 5035.88 1043.16 3855.32 9395.64 2885.35 1148.74 3584.23 1627.8 881.35 3015.99 7963.99 10956.57 2276.94 4607.66 1154.19 2895.58 4340.57 2329.01 2111.76 1988.54 1211.6 4313.64 1585.2 2580.86 5219.69 4522.29 7470.24 2766.85 9669.8 15091.16 2796.87 8897.49 1627.49 3608.37 1789.77 4200.62 4298.55 13350.79 4099.86 4365.3 6451.45 3901.93 905.74 1867.78 4551.04 4213.2 868.93 1079.62 1264.97 7417.98 3186.81 5190.66 5356.92 5811.09 5217.35 5487.55 5317.49 5227.06 5500.69 Bisibutiamine 6623.81 4808.8 836.89 232.71 7160.49 9940.27 3819.73 12464.1 2998.47 8120.57 5596.85 8837.55 11479.91 11847.72 9614.07 6411.4 4002.5 7698.07 11161.43 25319.15 2810.28 1528.13 1269.8 479.91 3274.06 3633.18 275.14 2065.03 3689.23 2738.5 6190.79 4286.62 1535.84 1043.73 332.61 3163.53 1376.9 475.72 1546.5 852.7 11346.06 12218.52 837.08 2651.21 3780.17 9830.56 8113.63 9798.23 8110.15 18594.82 5207.86 8999.54 1949.09 5050.04 2753.69 6925.9 1025.71 837.84 4950.91 4088.54 1911.49 860.61 8094.9 1643.66 4639.67 9488.67 8349.66 7302.87 7763.05 3806.86 6888.78 9951.56 7909.33 9796.46 5731.23 13607.84 14844.43 14789.93 16816.08 14242.9 14681.79 14166.95 14212.04 14198.05 Phorbol 13-butanoate 1898.48 4178.32 356.07 370.32 2503.74 536.32 1814.77 5759.83 3359.46 7250.45 1900.32 741.6 2777.45 2142.78 2327.32 4320.87 1948.3 6329.44 2337.6 1639.59 2602.81 932.69 1884.95 1038.23 3896.15 4291.73 1788.9 1527.08 2608.74 335.72 668.16 2302.52 3122.28 487.93 243.62 4394.23 975.66 401.11 1951.01 583.3 511.57 1887.53 853.35 1958.69 1253.53 1736.25 449.75 2848.02 2269.44 2321.72 1346.99 1759.26 1802.76 1585.97 901.44 6585.12 1182.65 469.11 2598.05 2725.56 2257.83 1214.27 951.06 2092.08 3084.32 590.18 1045.22 6139.31 3638.51 6151.56 1110.07 5522.79 1301.39 1740.85 634.11 3758.43 3837.36 3588.09 4138.93 3596.55 4137.72 4140.28 3749.77 4500.15 Microthecin 611.61 231.63 485.94 1433.3 403.25 7306.76 1218.79 454.64 1181.54 2856.29 837.75 955.74 478.4 984.62 494.46 884.49 691.57 847.85 742.74 1532.6 323.31 1220.69 2064.28 631.58 486.53 2424.5 368.4 436.94 669.77 505.73 2288.13 288.5 367.24 2372.87 935.21 443.46 564.66 1527.37 566.82 639.42 2966.83 771.58 397.17 467.05 953.99 1329.34 1242.92 666.04 548.18 1286.34 399.24 436.01 531.98 568.41 973.73 300.5 243.85 1094.81 570.41 1252.98 444.63 474.46 576.82 314.72 1685.71 617.45 784.02 974.51 1194.46 370.04 4295.89 1589.79 823.97 592.09 1200.79 1393.02 1420.83 1388.31 1532.83 1752.46 1457.14 1637.79 1402.06 1595.33 Lophotoxin 2546.27 3287.12 3632.86 8630.92 12573.61 3565.67 5996.75 3138.65 4686.34 4925.52 3735.92 7203.11 7491.83 8221.63 5182.29 8800.97 8368.82 2667.2 8941.04 5393.77 4488.61 2349.86 3193.92 2242.67 3592.55 2751.87 2741.73 2729.35 3421.1 5353.16 506.09 2173.96 3534.41 3082.49 3531.9 1685.03 3050.81 1034.32 4233.21 3324.41 1654.98 3750.63 3934.87 6873.99 1010.69 9061.64 5294.72 3839.1 4372.49 10973.05 2080.99 1247.36 4261.19 3878.6 3949.02 4853.47 4666.43 3783.39 7240.59 5433.97 5288.21 4487.56 6171.11 4421.32 6379.6 4126.62 1029.9 5701.71 4282.32 4509.09 3376.56 3192.95 4316.65 6020.19 4884.29 6554.13 6726.9 7343.64 6791.65 6217.92 6389.1 6734.22 6679.31 6532.19 Dmg-mino 2047.68 4699.22 497.94 3323.47 3339.57 6404.57 9388.49 2087.11 2063.34 11888.54 22473.34 13563.75 4624.61 4461.7 5863.58 3694.5 13463.89 5534.94 9868.39 5473.11 4005.8 5275.33 4856.37 4945.31 1186 419.77 2205.33 7875.84 4956.33 684.71 3660.03 4030.54 1468.78 2523.09 3573.65 2737.3 984.19 1078.77 8673.63 1213.47 5252.73 2622.77 7949.47 7834.16 12343.52 2575.22 9374.84 8246.28 3006.45 18997.98 751.72 3276.95 6405.18 14476.81 2706.55 2514.55 1369.72 438.24 7226.82 3668.22 2404.03 1563.87 1258.39 9846.95 14447.56 1969.72 2262.12 3718.65 9878.56 3240.06 16327.29 10167.19 5744.5 6175.15 8095.05 6392.55 7409.6 12319.34 5220.33 8301.33 17795.71 19769.34 4653.74 5053.62 10207.01 23820.68 4406.76 15745.76 3524.23 9621.34 9127.36 16119.62 20116.74 10126.56 11070.42 21722.6 12626.0 42424.97 19854.01 8535.32 4754.85 3988.96 4916.26 5560.38 5140.4 5376.3 5056.59 6186.41 4912.5 Dibucaine 79.38 169.24 136.34 4029.26 19671.03 16136.05 17919.03 240.45 117.4 210.83 423.46 666.38 3217.61 409.45 402.24 114.09 93.01 323.84 512.25 460.44 111.38 77.63 204.75 87.69 125.36 225.69 153.18 129.33 345.69 143.02 162.28 533.07 153.63 170.52 364.8 104.81 223.99 165 306.6 159.56 4737.24 479.56 302.85 260.29 682.96 3481.02 140.59 264.26 73.65 324.07 471.54 228 513.11 1238.88 582.25 78.27 171.55 311.14 69.28 393.99 220.47 296.17 528.94 482.42 185.67 94.18 253.81 1197.52 96.22 73.49 155.8 162.62 385.22 149.65 1339.79 2250.64 2276.77 2250.67 2277.01 2365.89 2276.97 2254.28 2249.61 2249.79 3-trans-Caffeoyltormentic acid 2554.45 2529.1 6348.54 4676.5 4355.16 4153.05 813.51 3937.98 832.66 2492.39 6000.72 7074.14 8175.33 2822.08 3536.9 11419.22 16060.78 443.14 8470.74 513.06 1418.58 2710.9 5229.72 2209.73 324.07 459.25 642.67 960.56 1322.38 338.06 292.47 7541.28 4439.38 5512.86 2962.84 2160.08 883.45 497.66 2899.31 468.48 2748.93 339.43 10853.18 5231.49 1968.66 4370.01 333.49 9745.52 4235.9 4702.86 2577.41 2982.91 10794.3 5518.45 3329.7 6709.99 15783.75 2600.78 2084.79 1094.53 11151.05 15065.42 3686.4 21592.36 7246.94 3564.18 1075.99 5786.62 6537.63 573.77 1910.52 4572.19 3419.17 8771.68 8935.8 7967.92 8053.56 8051.57 7937.69 8047.29 8108.65 7942.51 8003.81 7831.64 Picras-2-ene-1,16-dione, 11-(acetyloxy)-13-hydroxy-2,12-dimethoxy-, (11alpha,12beta)- 3520.03 5817.21 1475.29 3202.97 3080.17 4966.86 975.78 3039.53 2847.52 642.35 2378.3 6198.18 22894.47 24734.09 23199.76 15971.38 22406.37 16315.54 13058.33 4754.2 452.79 386.11 459.51 468.58 2696.47 2513.11 1570.89 2689.2 3530.12 1691.75 2529.53 5029.15 2346.1 2786.18 2620.22 1626.48 271.85 349.9 311.53 2010.19 6222.27 1727.84 4355.56 4612.23 10356.62 9151.07 3317.47 2192.22 2682.35 40954.5 1918.36 4585.67 2187.28 6177.86 5191.14 1780.68 7993.15 4680.49 2927.55 2150.03 5489.08 321.82 5202.63 6922.1 4165.91 14056.24 9764.41 2248.38 4513.32 2468.7 4416.89 526.82 4602.03 11169.29 12998.9 6645.76 9955.16 9561.13 9986.67 9463.09 9394.77 9959.5 9973.78 9351.46 Nerolidyl diphosphate 22288.73 5677.11 3836.42 2271.3 16469.39 22470.86 3521.72 37208.95 47087.59 16307.4 50506.41 47283.35 48155.02 19196.36 9556.8 26611.1 13660.96 10404.29 17778.42 12588.32 33384.14 2533.36 27761.39 6558.32 6345.33 10146.43 4126.82 17877.04 9261.87 9087.11 5639.46 7535.43 6459.59 47549.55 13179.3 11477.54 23008.92 4462.89 21283.7 3057.19 10604.75 14630.61 15576.39 31029.69 43543.95 38021.28 5302.46 5141.87 40524.12 34965.97 49857.39 15411.43 26871.17 23492.57 7394.52 8559.98 4132.83 9199.83 11926 19845.91 19414.6 29853.75 17485.9 15365.54 14848.19 41159.15 64916.85 20497.2 13090.28 19286.62 18274.66 16016.36 5084.61 18469.1 34641.95 24033.44 25974.5 23891.11 24948.32 24073.76 23991.07 24097.89 23982.71 23685.62 D-Urobilin 13271.33 8683.64 2806.95 5283.71 7895.72 7525.06 1157.69 20057.75 13469.55 7277.84 10386.36 10261.56 7757.19 2354.2 30796.78 11395.78 10824.23 21298.13 10429.18 16642.68 11234.8 4989.59 6858.73 4434.22 2392.63 6602.7 1932.05 4257.5 22502.64 3453.67 4804.92 2426.48 10251.51 3273.47 2329.52 2272.72 3793.26 1309.56 2640.4 617.74 8772.85 17744.32 3418.97 3902.22 16771.08 8787.7 17058.83 9556.75 3578.32 4652.91 9347.15 12598.92 2950.35 8793.12 8742.25 13195.84 1622.57 1685.72 22413.5 6568.32 3923.88 7365.7 15120.89 10738.35 14661.26 3804.06 21073.44 7736.24 5745.71 17750.32 15590.02 11265.13 14818.04 10468.16 8563.5 10737.45 11391.31 11334.61 11310.9 11286.03 10585.28 11295.26 11180.97 10360.98 4-Hydroxy-3-methoxytamoxifen 3026.88 6008 4354.27 4602 2947.44 2792.51 3893.67 7982.27 1882.31 5478.76 3734.46 2565.87 4865.88 4603.42 4026.47 1033.99 2523.2 1855.66 6284.93 3249.76 2852.33 2716.42 5989.6 4569 5616.73 3751.7 5366.53 4280.81 1994.31 3870.68 2953.55 1957.83 2600 4881.14 3387.63 1870.54 3277.67 1747.52 9353.42 5150.22 2980 1460.84 8043.42 5887.53 4444.08 4289.65 6030.88 4492.04 2282.09 2105.35 4547.12 5922.55 9449.97 9946.79 6244.29 6995.21 4491.38 6731.94 4276.24 3842.28 6810.99 8126.97 7233.58 11130.84 6074.6 3605.94 2089.92 2755.77 6258.15 3075.98 2026.12 3575.68 834.33 3642.8 2965.66 2636.17 2664.19 2315.12 2714.09 2636.82 2654.56 2562.22 2462.65 2250.7 L-DOPA 3'-glucoside 5788.61 1910.79 756.25 4330.67 5739.12 711.54 3784.64 6029.99 3246.47 767.63 3538.44 1894.22 348.32 268.7 10865.48 2882.24 1027.01 9015.87 1181.8 2532.74 616.21 245.9 894.51 602.41 2270.14 1113.19 736.77 591.49 3499.28 1041.5 1736.37 1405.79 1067.44 743.04 1139.37 649.14 1179.26 511.22 2114.17 1188.6 468.44 1015.72 785.34 361.11 4426.03 5048.14 12482.74 2785.73 1144.18 865.12 1590.99 555.07 938.03 2423.21 4984.49 1489.13 867.69 828.51 7129.56 2197.37 1198.71 3679.72 4726.09 4068.08 2036.79 10847.05 668.55 2374.26 1681.04 8497.25 4723.4 1491.73 1632.52 3655.28 3732.62 4043.84 3969.29 3835.82 3829.04 4045.14 3928.58 4015.58 4422.23 4033.91 Labriformin 464.34 372.52 141.72 261.71 275.94 11092.53 309.84 576.56 192.25 1791.9 392.75 727.36 304.62 789.15 322.53 556.72 448 451.99 277.49 554.23 446.28 311.34 372.09 200.17 277.52 2382.95 148.9 272.38 289.67 251.55 170.52 246.54 1329.31 155.53 221.42 340.73 342.1 1252.61 510.35 186.65 325.64 431.17 609.32 355.41 580.99 788.84 288.28 137.35 175.19 149.18 289.94 264.35 134.06 512.7 212.53 417.05 138.98 125.72 255.42 9516.39 633.31 625.68 325.58 291.71 139.14 670.94 435.36 175.2 578.86 325.15 277.46 1732.4 765.33 729.43 317.9 1677.68 1594.31 706.65 1493.98 1428.85 1457.32 1593.89 1525.99 1442.23 p-(1-Methyl-2,2-diphenylvinyl)anisole 9206.85 8252.76 4374.02 6005.09 12085.49 8613.11 11724.31 7644.63 11655.25 9995.56 20324.17 14887.68 16220.85 11692.33 9954.22 19004.92 11279.22 39401.03 13675.23 12896.05 2999.11 2697.47 6900.65 3579.08 6630.95 4986.05 4797.32 7302.92 8871.2 4417.6 8310.86 15327.28 4122.08 3677.72 3049.74 6432.48 14321.41 1590.08 24851.03 3101.68 4954.02 7408.43 5074.09 4954.6 11093.02 10289.72 8709.53 6809.92 5290.78 18157.81 8598.71 5769.89 7236.12 5335.12 6072.39 5878.34 2649.64 4817.87 4160.24 2559.14 6627.32 4146.28 4745.41 8471.82 8521.27 13860.84 7277.44 10473.07 10190.23 8679.57 5394.29 12874.82 8326.59 10727.14 5254.73 10174.1 10547.16 9634.97 10065.87 10509.09 9999.66 11420.76 10553.25 10168.26 Thioguanine 18058.83 15340.86 54744.97 16794.7 11732.08 2887.22 12619.28 9319.11 25848.45 15309.74 25594.39 8083.25 5588.63 12385.01 11048.16 30304.02 38388.37 17883.22 7093.58 7272.11 13026 3515.82 7566.23 13194.41 16358.1 19843.59 14942.84 10805.31 10229.2 625.83 7748.65 6957.28 8677.91 10919.93 15930.4 11427.7 23083.97 6007.4 11545.85 21127.53 10576.3 1203.97 27672.9 16594.63 12136.99 15212.16 16798.93 7175.46 7556.01 14081.06 11540.86 19298.18 25306.17 25955.58 18517.76 26205.71 88127.05 68357.42 20313.7 15282.05 25573.79 12896.6 34408.45 38920.9 23541.28 22948.52 33842.31 17586.91 18968.73 17886.27 15896.94 22867.97 31722.53 28872.35 16664.22 18896.03 18861.74 18222.78 18614.96 19158.75 18627.03 18807.79 19162.66 18737.71 Makisterone A 90498.05 39328.96 8036.34 13267.33 54272.93 29006.09 45749.44 60852.56 166053.58 48032.18 47133.59 66241.11 52851.33 49124.13 42552.84 37542.35 45462.17 38592.86 73078.4 77479.61 104144.69 47149.89 106447.73 58149.28 122628.58 74466.64 67189.23 62928.82 168080.88 63100.42 38854.65 121741 96121.04 55694.66 40888.71 152580.77 87035.94 13562.96 76258.29 40933.58 71474.77 53572.32 63784.18 42999.83 105341.9 65958.33 114796.1 100707.26 152093.58 94037.43 34014 56243.7 49573.92 72409.96 75498.42 68095.11 6718.54 36051.65 31683.34 13829.68 51537.06 45203.58 101015.76 78205.4 68270.64 33809.93 18811.62 96384.02 66383.75 111242.54 114427.42 53090.84 56673.89 44862.49 49566.25 1977.79 2322.33 2934.08 2147.96 2086.62 2690.44 4178.07 2237.52 2409.88 1920.0 1832.95 2570.76 3165.5 3284.89 2328.26 1216.68 980.11 3527.39 2766.28 2429.48 705.79 1732.94 1674.97 1893.64 2564.5 66659.04 66623.36 67702.57 66651.87 66297.41 66320.17 65748.86 62277.96 65848.67 Rhamnose 19677.54 25845.12 7742.05 15158.05 9514.39 20476.87 7485.06 9070.46 11508.01 9870.26 9071.44 14212.91 27608.95 36457.18 24211.47 12690.48 13234.56 60058.33 22540.78 28409.9 6327.3 7979.34 4728.58 5184.43 4857.12 9815.04 2774.43 4474.63 11340.63 9675.36 26494.6 50631.23 11698.75 6643.19 4845.19 8775.25 5076.76 4869.37 4355.14 3525.04 31372.6 29063.94 8648.63 11129.81 50415.32 23018.26 17804.72 8715.12 13562.29 61262.19 22254.18 31981.11 10579.26 15373.16 19371.01 31355.01 6258.21 6699.51 5463.48 10356.4 3762.02 4060.42 17505.65 8216.52 9714.07 24246.61 57193.21 9241.93 11693.47 8536.05 8630.43 7508.85 6278.29 10992.53 7073.29 17986.13 17822.96 17477.61 17881.77 17765.1 17851.2 17287.23 16128.38 17881.21 (ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate) 55406.62 24898.7 12518.77 10187.01 7490.07 3230.04 7884.95 30656.24 43800.33 38623.04 42929.88 9148.74 25953.42 35394.45 19916.99 7072.3 17790.89 6527.56 39574.39 41325.21 29838.81 1145.53 33139.45 52187.59 46028.23 27612.89 61416.49 53792.41 27015.99 10018.94 14819.98 22957.64 8628.77 53259.25 30522.65 36266.73 41129.93 10046.23 59609.47 26449.23 20687.98 37599.94 32061.54 38591.7 42232.78 27318.54 26976.97 15977.9 61203.42 32682.06 52677.8 17418.34 28201.18 30809.35 30638.22 32863.13 12354.13 24034.03 21037.75 8070.91 37725.36 35290.18 37996.93 12862.91 1720.21 33165.06 22961.37 47685.82 22457.32 35993.23 42992.9 48631.26 23441.34 22427.75 34225.11 29517.83 29464.84 28882.79 29195.06 29502.52 28840.94 28857.57 28976.08 30122.57 Hexamethylene bisacetamide 20627.62 18975.97 9952.91 8728.87 24589.24 14655.11 11379.33 27844.67 27282.25 21254.53 23837.38 25936.75 23702.01 18752.06 28846.69 26107.84 17163.26 26878.01 22852.92 32031.49 22034.15 14321.36 17435.91 14735.27 16240.62 14608.17 8865.37 13617.56 26945.01 16783.53 19613.8 19656.9 13924.17 12623.86 10315.93 16679.94 17298.05 5715.25 16096.2 9785.87 30663.62 31416.98 20459.45 17904.72 32254.79 21054.02 30207.47 21367.51 16286.06 26173.68 20069.86 24897.94 18717.54 17838.46 20434.63 20972.19 10695.53 9260.35 28239.67 17548.89 16236.2 17118.5 22884.06 17706.13 19478.83 28835.23 28220.71 20173.04 22248.47 28347.81 23516.38 24574.11 18084.47 18270.77 20004.33 23560.32 23638.58 23246.77 23258.27 23633.15 23799.88 23654.44 23246.15 23588.36 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate 1559.71 1396.2 426.74 1345.95 852.08 1033.35 471.64 1439.49 273 363.4 559.7 3179.15 12642.6 6744.14 5262.83 4253.67 1285.49 9854.96 5611.69 16415.58 1848.14 1291.83 1297.99 740.32 2009.49 750.04 344.02 574.06 2842.74 8587.23 13021.82 13762.41 248.95 1202.58 294.52 1853.79 2251.77 268.72 980.79 721.83 42690.83 1638.41 326.26 702.14 3009.11 2992.13 2976.07 4962.94 2806.56 8187.73 1801.72 3254.14 526.59 1391.27 2693.95 1811.91 350.98 893.73 4328.7 511.31 290.11 438.91 462 2731.99 1219.58 1951.07 9101.56 396.31 14161.45 445.51 1580.04 1076.14 2244.39 1411.72 726.77 1903.73 3589.55 3114.56 3594.99 3248.27 3089.64 2448.23 3127.46 3377.79 (1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethyl-14-(methylsulfanyl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one 18099.38 15065.1 846.16 47214.03 24965.5 23631.83 49378.33 21747.92 23390.16 21297.38 15494.22 46254.21 86208.65 139299.89 48114.94 17355.61 38833.82 48382.33 60499.85 24340.74 4696.45 3836.43 2999.34 5531.5 567.69 6780.08 4890.55 484.49 15705.12 5551.13 26054.77 82490.6 1965.23 5554.48 5921.44 2759.71 8604.45 1392.63 2732.08 1103.76 45859.1 21483.3 5914.71 16945.29 44154.26 22000.19 6639.81 7670.2 13761.14 52057.13 13352.95 23173.72 14792.08 17839.69 13733.07 13956.45 1885.87 3658.91 5201.75 4803.16 3627.19 4022.49 20813.65 12722.11 20835.36 36852.88 42879.68 14657.34 18752.41 6328.28 9737.92 15067.74 13858.61 14378.25 11518.4 19149.98 18705.99 20229.23 18258.89 19104.01 18597.02 19116.95 18543.39 19114.16 (6R)-5,10-Methylenetetrahydrofolate 3054.42 2692.53 3267.6 14619.16 4846.67 783.72 5359.87 2026.39 2440.96 2671.18 2455.7 3228.67 3224.16 2604.84 5358.76 2902.56 2098.94 2934.03 4047.03 2878.95 7261.82 1972.59 5509.79 3428.43 7077.2 4011.32 4234.24 3166.75 6961.4 2763.46 1676.79 5969.79 2568.18 6469.84 5708.78 7769.69 12298.07 3722.39 4139.47 3793.61 592.01 1631.74 8648.32 3664.12 5572.25 9311.39 2688.35 3399.51 2741.44 4996.2 9523.63 1992.48 6726.87 20765.16 4119.92 3112.35 2511.89 5179.63 4380.31 3112.43 2228.99 2012.03 7772.14 10382.42 7740.87 2612.26 1605.42 2064.37 1943.95 5775.99 3407.59 3946.38 3807.09 16010.26 8578.29 5698.51 5316.49 5312.07 5766.52 2080.55 5723.04 5697.4 5868.19 5284.1 Nigakilactone C 25616.29 37615.21 11926.48 26217.52 36128.82 61511.98 36326.23 48413.85 65368.89 21043.16 9521.12 8101.99 14180.43 29877.79 70156.1 19573 32206.81 34982.87 41051.16 89068.63 34131.55 37572.87 14220.45 10376.7 30069.52 30237.61 7927.49 4466.99 38556.29 9399.92 24879.51 12674.75 24582.41 11385.62 11677.02 17520.52 31410.8 14015.39 4477.88 8936.24 52372.48 30659.3 22925.27 14641.51 41001.37 10942.22 60540.51 25486.83 12528.88 27030.13 17475.37 40740.26 14218.53 18175.81 35596.26 40356.55 12804.56 18679.68 47749.64 52009.27 16713.27 23137.58 39349.35 25458.64 25998.86 49373.37 74470.08 17437.76 15328.59 50494.71 54978.18 47446.89 14990.22 29258.41 34059.38 43232.17 43234.17 42412.25 45944.12 42849.23 42473.48 44269.88 43436.54 41858.97 Farnesiferol A 1964.42 2179.94 7758.98 5934.23 2071.32 9712.5 1621.58 3346.97 2949.64 3898.24 3012.83 3825.54 502.81 767.35 465.72 2691.21 2624.51 524.71 1011.92 1514.12 2701.34 3063.35 4777.3 2793.93 3141.98 4629.35 4137.96 3110.48 639.53 2618.15 1448.36 2008.58 629.8 2302.9 977.71 4029.55 1404.8 1608.61 467.51 2104.22 2124.12 1378.75 5303.45 2713.25 1889.14 1369.05 2032.36 797.75 3797.08 668.24 3031.64 3201.55 3639.91 3272.04 3220.66 5200.18 3739.62 6833.05 1812.56 4410.86 5046.39 8928.61 2829.93 11443.9 11092.38 3141.84 482.43 701.51 2303.98 2445.75 1273.13 9859.3 603.85 15124.94 1594.42 2952.99 3061.49 2907.93 2254.18 2954.42 2929.98 3005.75 3061.01 3114.21 3-Mercaptolactic acid 955.78 1355.96 2363.88 1535.6 1572.28 3264.22 2225.19 988.49 1381.18 1268.65 1046.48 999.26 1909.73 1173.39 1092.69 2208.43 1330.91 849.75 1708.34 1109.39 694.6 1728.42 1569.19 1565.04 1195.5 960.5 1407.26 609.4 988.16 492.71 551.4 841.51 829.09 1881.17 1786.63 1115.72 901.1 938.7 1210.54 796.86 905.04 1266.39 2876.13 807.48 830.48 1899.59 637.9 1909.31 1124.18 2104.36 785.81 1045.31 1577.83 1725.36 927.48 1499.77 2315.37 1803.95 788.29 3206.72 2839.92 2534.16 962.21 1531.86 933.2 1501.28 784.46 2231.99 1202.34 1166.83 931.57 1306.06 1373.31 2050.71 1840.94 1919.37 1797.27 1782.85 1850.88 1846.56 1851.86 1849.49 1823.71 1801.89 3-Hydroxydecanedioic acid 8571.73 5756.89 7701.91 10589.39 11607.75 8423.23 11635.15 13197.94 9145.94 9446.04 11873.5 29202.41 13301.65 18165.99 5334.94 44485.44 9581.84 6768.79 14824.27 11633.75 3809.22 14775.06 7042.76 6046.12 2810.21 3459.18 3745.01 5418.04 4733.16 11340.55 11452.19 11489.11 2846.52 11886.03 9660.7 3019.4 3238.19 1552.08 13667.59 3942.69 8916.69 22590.15 9440.72 8574.44 8313.26 7263.46 9810.74 21910.98 7974.1 28864.61 7443.28 6114.83 9360.04 10916.56 8563.99 7086.81 5092.04 5817.53 7158.14 4548.96 8516.53 11114.68 6081.5 10659.3 10711.01 7486.91 20407.56 11014.12 19251.04 8947.79 5962.6 12021.95 24727.76 12591.64 13633.78 16160.78 15809.48 16511.11 13494.6 17155.55 17015.98 15308.97 15039.65 15136.86 beta-Sitosteryl ferulate 808.9 1821.58 2672.37 1374.57 2880.51 2573.05 2898.33 3793.59 529.12 3042.73 3501.7 5288.88 4683.14 2649.88 3415.37 3560.07 4820.07 3389.71 7481.12 1782.91 3733.26 3183.97 3911.75 1348.62 2510.36 1147.21 2623.81 566.71 9132.93 1991.01 1991.94 2233.6 5271.17 3954.08 2272.8 6519.24 3908.88 425.06 2746.45 512.62 2404.27 2585.39 3127.08 3111.22 1271.59 1653.57 2492.92 6366.19 4622.44 2128.97 3729.02 6303.95 11723.32 5448.93 6912.77 2599 4686.2 3021.05 5225.17 972.51 5819.37 5738.37 4371.58 7076.01 6953.02 2806.03 3694.07 1417.52 865.51 3746.52 1262.18 1088.23 4103.57 2436.53 3341.1 3659.27 3893.1 3570.6 3669.33 3777.08 4094.77 3798.5 3781.08 3548.32 Inumakilactone A glycoside 21718.73 679.47 765.03 608.73 10730.43 2738.96 992.46 20820.01 28608.67 5380.12 3539.09 4083.68 1801.89 596.93 13285.47 1190.87 2470.29 14818.69 2931.48 80969.97 12089.15 1845.89 638.66 936.55 8730.14 5459.48 1757.88 1000.84 13006.18 5440.9 11366.43 4811.63 4701.05 491.13 775.82 7835.76 10986.56 1172.13 470.06 1167.07 21171.66 20432.17 821.55 827.85 14015.32 1689.86 42041.33 1451.23 7449.46 5812.37 8035.87 2233.67 364.09 1478.52 6403.07 3858.3 378.57 622.57 7545.91 2409.15 468.31 1155.3 3340.85 605.34 865.24 10862.75 6007.06 2546.13 7049.1 14344.22 20609.73 1407.73 9077.51 1269.2 2754.09 7166.63 7247.18 6467.28 7164.04 7060.18 6600.29 7321.14 7261.66 7009.38 N-hydroxy-L-tryptophan 6732.67 5391.69 732 6319.87 8705.76 18966.4 9925.6 6781.53 3277.82 3340.89 4325.8 12687.83 12432.98 16477.58 14057.74 5077 4324.3 11090.69 6686.79 4037.7 2008.81 598.78 1026.92 1547.31 665.09 1254.86 753.34 803.83 6197.84 2585.93 4687.5 4767.37 1125.9 2436.1 1220.17 943.2 1047.28 526.48 2218.29 824.55 15140.06 8933.06 1744.12 2551.37 5827.34 5612.65 2217.76 1859.95 3170.69 12581.43 5583.94 5588.09 3457.27 5061.69 3018.78 2276.4 770.55 931.14 2041.42 1314.75 1595.08 1043.82 3178.16 1189.29 1669.71 9312.78 8224.9 1709.62 1896.56 544.22 3183.46 5123.4 2891.72 5323.48 4265.59 3679.31 3762.79 3879.17 3708.57 3758.88 3747.83 3772.08 3656.12 3544.74 Tomatidine galactoside 26048.01 19039.23 5194.07 11415.98 4374.83 2349.32 2323.02 9588.41 3074.31 15480.98 19287.23 12334.41 5584.66 24276.15 20265.19 5328.43 15702.61 14316.53 7733.86 26749.64 1435.48 27378.07 2850.27 14796.66 8618.39 23415.23 2892.81 27326.77 3517.81 31550.13 8377.72 8272.24 11967.53 10437.47 19295.67 7399.19 20898.59 7607.13 22896.5 39383.81 9906.46 8452.23 12324.76 35743.87 11079.35 9225.87 6837.98 9283.82 2753.59 14257.95 21947.76 7938.09 12789.58 17171.9 4462.29 16231.46 13921.65 21411.41 12387.56 17039.92 14559.22 23932.69 4792.37 4472.68 14548.85 22366.38 9751.4 17341.46 26150.56 7576.56 22632.32 19126.82 14655.12 13507.58 13735.33 9672.4 10665.6 9402.58 9335.98 9068.74 9507.52 9683.13 9394.17 9661.31 Diguanosine-5'-triphosphate 21525.47 24602.36 43569.71 19907.67 22172.64 6201.21 14190.11 29886.13 26359.14 34764.59 6193.23 50835.16 69745.83 24486.48 28219.59 14343.02 16375.66 25113.31 35542.3 17974.5 40807.23 10261.99 13596.63 32374.01 41007.55 60253.92 53627.81 29410.46 31881.45 40165.03 17847.08 15483.71 16490.59 27566.03 16389.69 63701.14 16330.36 5398.29 19752.42 23321.07 22719.37 15147.86 16342.84 11262.6 19055.75 11076.37 20490.67 39950.2 15311.07 9155.85 14391.7 12777.74 15568.44 10319.86 15397.49 42325.29 28436.74 17364.77 15897.29 10501.95 44268.35 30525.48 18339.07 10199.1 12799.05 25046.18 25889.2 46078.98 32152.52 23735.44 12221.66 11365.03 2902.24 7945.94 23676.4 17400.68 17903.94 17396.9 16059.17 17688.25 17551.38 17641.85 17692.42 17384.1 Terpendole I 1083.89 4990.13 1710.47 7201.78 3657.25 3121.09 3976.52 2207.52 635.46 4545.2 5681.73 3501.81 5225.01 3081.79 3448.91 7715.83 1335.16 2431.11 12148.83 7696.33 920.21 1411.73 2269.13 1657.88 812.73 3867.05 3077.98 1155.31 1679.67 636.92 1237.27 6542.56 2233.02 1155.66 822.17 1329.13 1668.82 1481.51 1486.44 880.09 570.76 267.42 2337.42 3526.45 604.76 1823.7 421.64 5467.96 918.99 4628.85 1591.13 1653.52 908.69 2955.76 1361.17 3555.98 3377.99 1749.18 4794.64 6273.03 2610.85 2742.46 2509.79 3111.29 5106.7 2641.17 787.66 4359.51 1055.93 2548.96 2673.73 2787.42 951.02 6053.66 5059.75 4820.01 4800.36 4903.57 5302.15 4855.49 4830.1 4994.14 5094.73 4340.55 3-Hexadecanoyloleanolic acid 13165.7 14029.61 950.03 11410.49 4690.28 1287 1733.47 15185.51 7894.94 19482.45 16997.1 18774.79 3958.88 12806.24 846.16 1377.1 24141.74 11270.09 1547.98 5042.21 7858.94 8859.45 5266.8 14830.62 6761.61 6132.75 19942.9 12483.65 9620.79 13145.55 11554.52 8824.37 7897.36 1267.38 10800.1 11728.97 1204.26 5166.73 9587.94 13723.99 8985.44 4897.15 7628.02 22477.75 14570.84 7246.66 13462.03 10727.29 1343.63 10045.21 11910.67 4717.1 13669.6 13811.96 7987.06 10116.16 16249.48 9934.37 5160.02 27985.7 13126.33 43814.33 6542.24 9666.69 12238.93 11527.62 13362.61 28848.08 18898.62 10868.08 20351.76 18994.64 17265.68 9550.5 18994.01 8306.5 7601.39 7816.1 7752.45 7984.95 9045.1 8310.29 7995.08 8349.16 Tolytoxin 5731.64 3195.12 1215.69 5784.59 5251.38 11111.02 3704.22 7779.18 19450.17 5439.45 4957.04 4263.19 1264.24 2629.73 13996.66 5147.97 4794 10512.83 5233.94 13251.76 5314.97 1970.81 763.26 1249.15 1285.9 6060.69 453.18 677.39 6233.64 1347.61 3445.07 5468.63 7256.99 2235.43 2041.53 2806.89 6579.22 600.63 2870.29 561.24 8215 1445.67 3699.86 3565.48 9137.36 2483.94 7093.65 5985.51 481.65 6005.65 1068.52 3172.52 2378.06 2139.53 2884.72 6678.57 1122.6 3270.74 5647.32 2710.18 1356.14 1924.3 5956.8 11682.74 16014.66 1763.15 7703.48 4042.52 9228.93 7031.32 23041.82 12198.29 5448.01 9369.91 4980.61 7125.74 6555.92 6383.76 8128.48 6939.6 6918.6 6551 6505.52 6424.7 Fusicoccin H 15972.85 21321.58 14444.55 11874.87 14482.47 12866.92 14055.8 16244.29 16951.2 25037.87 18581.85 20987.05 17706.98 16222.76 14213.37 13585.37 15574.85 14337.55 17633.38 17785.03 25485.89 21920.61 29215.28 22046.67 34394.73 25583.24 19770.57 17701.59 21689.89 13031.16 22863.01 18244.99 27659.3 23513.66 26623.54 40690.53 26408.85 17479.88 24776.8 20475.53 21645.07 25882.71 24631.65 18775.26 17446.76 10779.89 13683.64 23254.36 17377.75 10889.65 19359.84 25673.8 26051.14 20480.2 15189.71 21480.35 9567.88 14866.82 17006.6 22262.94 16787.21 23920.47 17937.17 22785.48 19473.86 20608.53 15001.63 16845.07 20744.07 16962.55 14259.69 23076.97 15738.22 16780.98 14838.99 16477.76 16574.56 16655.47 16669.08 16468.78 16676.87 16297.37 16578.23 16669.52 5-Hydroxyisourate 2896.66 3338.8 2924.6 3487.97 4685.59 3807.13 3467.46 3907.76 3311.66 3024.25 5327.46 4142.17 3009.02 3165.56 1957.84 5479.16 1640.53 4121.19 5172.98 3844.82 5991.3 5020.63 5256.35 4212.71 4462.81 4015.89 4688.33 3759.59 5750.38 5683.59 8848.22 8041.08 2366.86 6596.48 5182.82 2168.72 2534.14 3543.49 5127.18 3205.86 9129.28 7640.97 1978.11 3670.8 5460.18 6036.83 4170.42 5298.41 6711.87 8491.8 4800.37 2689.71 3910.04 5767.36 3313.97 1753.8 1557.63 1207.29 1314.3 2556.69 3473.98 3463.71 1313.51 3327.64 4277.31 1766.23 4669.66 3910.88 3926.95 2813.42 2643.22 6177.63 5289.34 4893.61 5873.33 5521.45 5509.41 5508.15 5676.84 5569 5623.87 5584.08 5183.07 5581.92 (S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine 2866.23 8237.23 18317.8 15800.79 1164.51 3858.72 2190.76 1772.75 17613.36 8777.71 9681.44 5960.29 20949.61 13397.01 4298.59 5512.9 7905.2 9103 20144.89 25261.13 1311.43 7293.51 16528.4 14355.9 4116.29 4920.09 11592.63 6814.84 2925.55 5182.69 1174.54 1927.81 6368.99 13959.43 11728.63 7385.72 11202.39 4605.89 16393.09 11052.19 18384.91 12626.97 27804.92 19926.39 2075.1 2703.36 2553.94 7348.15 9592.79 2774.76 6210.26 17635.65 15020.77 17780.96 5176.35 14758.65 24578.02 27676.34 2801.6 13549.23 17419.41 24006.64 10596.24 15232.72 11037.85 7535.26 1079.3 14778.47 12688.46 5395.55 1434.67 9909.73 4009.1 17238.16 17399.69 4699.49 4542.67 4993.13 4971.5 5365.59 5603.67 4959.6 5342.15 2787.66 Neryl rhamnosyl-glucoside 1766.9 1519.14 1053.41 1591.7 2558.02 2323.08 3258.66 1322.34 4845.43 2978.26 2733.44 5627.74 2778.83 3776.88 1944.71 3473.09 2409.42 3389.89 4595.88 1618.33 2072.31 404.35 1349.81 666.48 1399.25 691.08 699.14 1507.28 2544.1 955.45 1731.5 2330.23 1311.75 1075.71 1451.64 1016.63 2188.07 410.38 2385.18 802.54 1722.22 3403.67 1784.21 3580.83 1582.92 1268.48 2864.47 2474.66 1337 4325.36 1012.8 2255.63 2346.15 1886.9 476.25 1077.05 1239.15 820.43 1442.78 698.31 2048.08 1390.66 1332.58 2272.08 2537.46 1596.74 643.64 3844.36 3378.86 881.02 3089.35 2836.84 2262.85 1126.99 1968.58 2621.73 2534.54 2754.79 2661.13 2732.36 2622.24 2956.11 2675.14 2573.99 Aquayamycin 7949.66 1213.35 408.87 360.76 4561.68 863.89 761.85 10396.02 8419.42 3381.48 1357.69 1689.1 200.99 642.33 6658.9 7219.59 1647.19 9922.53 3531.4 22068.93 3436.51 1091.42 528.96 752.62 1804.96 1273.53 240.43 1015.18 9306.88 2956.82 1285.9 3559.96 1017.07 513.31 192.35 4569.27 5231.86 353.44 969.99 1704.46 5259.41 2991.4 416.36 633.01 3992.69 845.63 21629.08 4149.21 3929.42 11709.04 1607.3 587.28 191.66 352.46 5141.66 580.19 223.89 309.01 1390.19 735.22 687.95 619.95 1051.68 1076.31 954.81 3957.08 2082.54 436.91 4878.5 8807.72 7252.78 402.25 8223.82 528.49 2384.42 5133.82 5361.3 5123.69 5129.01 4763.94 5340.13 5360.18 5425.69 5153.27 5-Hydroxytryptophol 1411.07 995.87 1040.94 832.43 2279.03 857.72 2217.49 1559.9 1698.61 2045.43 2493.61 4201.76 3605.98 3564.82 2240.62 3056.78 1969.05 1947.97 2717.53 2067.98 1669.92 564.2 1409.44 1585.14 1441.78 1111.97 1552.85 1624.11 1615.2 2235 1678.21 2432.34 995.64 1756.81 1410.31 1063.77 1874.24 1047.64 1887.79 865.14 1926.75 1978.35 1713.52 1848.82 1852.3 2425.4 2896.54 1916.48 1550.12 3057.93 1425.56 1173.4 3020.69 2122.49 1853.69 824.05 1039.57 782.4 1406.52 1821.29 1372.73 1669.35 1286.41 1502 1209.05 1845.87 1928 1879.03 3704.77 1641.53 1110.03 2072.89 2527.36 1657.56 2039.15 2351.55 2215.14 2377.16 2623.01 2480.76 2481.18 2343.93 2477.19 2495.08 Camelledionol 28113.44 7484.65 5910.59 28996.6 6241.08 7295.28 7796.17 7137.27 6624.21 8209.81 6879.83 7415.84 8406.2 20594.67 27073.07 3691.81 23802.79 7452.99 26920.27 10623.72 4982.27 4116.25 6781.73 8006.53 7297.2 5363.5 4360.66 5990.53 21749.83 6601.41 5276.05 5858.95 6105.87 5573.89 6363.63 4701.72 7712.4 2702.05 8896.96 5352.56 7413.4 3652.51 11937.38 4242.01 9710.82 8422.92 7242.78 7255.59 7932.92 6596.42 6252.29 8832.2 8655.98 9037.58 9638.2 7862.72 6662.12 9783.35 8460.17 6377.96 1089.14 8009.57 7672.37 8532.88 7074.41 7477.15 9340.03 7173.85 10930.73 7875.31 6393.51 23582.75 7465.87 5684.91 6701.64 6323.39 6334.24 6314.84 6069.84 5328.94 6026.86 6318.36 6319.68 6080.78 3-Methyl-l-tyrosine 10885.67 12312.4 7295.14 4213.02 6492.52 16426.49 1945.09 10142.6 6309.15 2044.18 8669.19 13262.45 17482.84 15544.96 6099.18 7941.66 10704.8 15673.09 4820.58 9993.23 5146.11 5308.18 6368.94 4451.28 6766.12 3622.04 2101.08 7596.97 9058.62 8997.35 10673.64 15184.98 6545.8 9705.54 6199.1 3514.78 2013.16 3943.89 8038.01 1597.6 5590.74 14301.76 2604.66 8988.69 13433.92 17098.12 6160.11 818.53 11864.7 13859.13 12028.55 17212.95 11183.79 14364.71 9380.6 10783.02 3463.67 582.45 4208.16 3280.57 3629.08 1833.27 12551.33 5131.54 11200.58 5479.23 12406.4 2924.75 5797.68 4986.49 7662.31 5341.13 9240.89 11763.26 11113.79 8593.88 8204.23 8113.23 8649.74 8581.33 8579.07 8421.9 7650.09 8619.1 N-(indole-3-acetyl)-L-leucine 6491.89 5605.07 5024.83 5605.23 1224.75 5555.17 7102.4 10152.8 2635.5 9460.93 11486.34 1841.04 7018 6081.34 1219.07 7015.81 1930.65 4488.53 1146.82 4904.8 6708.6 3624.6 619.33 3880.87 8610.11 4978.72 6265.88 8017.5 3985.17 11092.86 8556.39 7976.23 3174.11 4999.28 5813.63 6346.2 6854.92 4591.12 8544.85 1464.72 11261.33 11877.91 5445.34 5016.86 1366.68 4271.54 6448.47 6086.04 2308.13 5147.63 6458.59 5309.04 5127.91 2235.02 6681.43 5836.38 5050.84 2380.75 1828.41 5921.07 5199.64 5209.22 5349.22 5650.65 2408.47 10503.62 5205.65 11510.48 11648.11 1905.34 6593.13 10908.91 8006.5 5401.27 2267.84 4417.97 4692.5 4518.02 4473.15 4407.72 4442 4911.62 4682.02 4728.52 Mevinphos 40267.28 38496.02 32037.31 34862.1 17009.36 19721.71 20880.3 25298.66 25687.77 36704.38 32333.25 40495.19 25603.69 32456.26 29197.35 24882.61 27018.44 32134.78 23377.59 22590.15 32223.09 42935.98 28466.92 40191.78 34038.84 45914.18 45667 46975.05 32709.26 5631.29 41419.39 34672.16 31642.21 43136.06 69773.09 36356.85 42765.28 65846.62 51221.34 56097.38 33464.16 34260.29 39103.74 50969.72 30761.61 32358.59 26637.28 28789.88 27524.56 27373.07 33360.78 35548.32 38556.69 35125.47 28050.31 39912.96 49079.3 82767.35 36629.43 45818.22 41974.82 39690.86 31332.88 26319.61 32033.78 28964.16 33271.3 44019.9 45362.91 29929.06 36158.43 37013.37 31964.43 32879.41 32089.44 56772.27 85639.45 63108.49 85281.08 19212.72 48298.99 48321.72 78005.12 17471.55 66431.31 125736.37 52119.93 78624.46 75143.0 71652.68 170984.85 82135.28 78108.28 77696.65 55127.69 86314.89 82034.51 79985.61 87158.89 82007.9 44628 44993.38 44996.5 44790.09 45086.73 44786.97 44327.67 44788.74 45289.65 N-succinyl-LL-2,6-diaminopimelic acid 4837.45 3083.44 1202.61 2559.73 861.65 6703.42 1152.09 3377.68 1735.22 1307.53 1564.14 1889.92 2393.28 2481.26 3912.71 1641.56 961.67 7380.64 762.56 9349.69 6879.13 1794.77 3775.31 2107.14 1137.49 6689.97 3152.06 1933.35 5888.55 1625.88 11784.04 7954.62 3658.18 2706.61 1774.5 3709.2 1822.18 2177.78 2217.22 1183.87 3987.64 3829.07 5937.49 1126.49 2577.3 2697.33 6276.76 1231.33 3910.49 3676.72 1472.53 6227.87 2915.84 899.33 2321.7 9238.15 3802.5 3159.24 1566.8 3126.43 2154.18 776.6 4138.81 2574.4 5495.01 2256.57 9132.97 1208.04 2450.16 2770.93 8683.59 4095.99 2380.06 2537.53 2844.34 1718.73 1421.59 1586.96 1677.83 1669.43 1598.91 1622.17 1605.1 1674.45 Nocloprost 6333.93 5891.41 3994.18 6210.19 6285.85 9034.35 12919.21 7878.74 3623.54 9621.94 5935.11 9431.4 7063.15 5367.68 3799.13 11096.94 5218.62 5140.97 3230.41 4600.39 5989.02 5054.92 3011.17 3377.9 3159.96 2514.62 3140.97 2325.89 4284.67 2108.02 982.04 1095.97 3139.94 4124.35 4221.75 4382.66 4230.09 3909.65 4573.62 608.55 1931.08 3519.46 2204.1 7510.33 8997.03 4205.05 2334.99 3778.11 5251.89 4575.61 5955.62 3776.34 3579.95 2814.59 3898.9 3915.21 4484.66 6191.32 5969.22 6304.4 9442.15 2855.29 4704.74 6052.58 3904.4 7289.28 3597.03 5990.02 9896.92 6818.99 6654.82 6046.5 4573.29 9527.36 8644.04 6122.65 5910.98 5450.89 6021.26 6035.37 5651.97 5682.09 5555.95 4740.48 Rhodomollein XIV 24902.42 36882.31 28515.61 42050.99 29322.6 6358.2 27837.93 37242.16 23002.12 36658.23 30025.75 43344.48 48956.26 33502.48 33014.71 40071.71 40083.07 44150.67 56096.15 41680.46 25528.19 18522.71 15458.86 2329.62 1881.61 23984.28 11199.57 15206.09 27226.86 31867.91 25200.58 29339.14 14798.76 15233.67 902.11 26545.49 25219.4 9931.51 19281.79 1820.65 53059.92 41313.57 25953.45 35987.55 48795.16 25407.03 23646.51 30242.08 19222.89 12757.43 19737.67 24726.09 24824.71 28991.12 33271.2 31115.65 23162.59 28333.56 29401.45 27960.3 30746 546.64 43887.53 24035.2 24112.93 33271 53531.79 27418.14 47998.55 27101.1 29865.97 37569.62 24001 27041.69 31684.05 28099.51 28630.03 27095.87 28820.36 26818.92 21712.28 27298.44 28832.52 28731.15 {4-[(Difluoromethyl)sulfonyl]phenyl}hydrazine 4807.34 5807.54 6091.39 11521.27 4790 6263.83 10455.3 4769.12 7922.34 12332.34 19869.58 5510.58 6453.14 5203.27 34017.44 6042.7 6824.67 7340.08 6408.12 8486.42 4697.22 7212.37 8372.14 12990.17 42152.71 9248.86 5845.18 15573.85 9707.64 6289.39 8584.05 7267.08 8992.32 5256.93 12003.72 8268.15 4891.97 5181.11 51469.09 8024.96 6463.3 10132.97 18790.46 9710.03 9113.9 5241.27 10510.4 9859.98 12225.23 6860.9 14015.3 4843.92 6527.84 5186.55 14033.69 5318.19 6931 2040.85 5486.58 3327.25 9245.72 15137.49 8104.53 5028 6185.72 7933.25 11560.92 11835.66 33836.65 4269.67 5211.93 6764.71 5704.65 6585.66 10642.03 4805.81 4453.45 8612.27 8379.2 13837.16 3765.54 7827.49 12301.62 5098.25 7645.53 6957.84 7627.62 4618.26 5708.47 17076.01 9613.13 8820.28 3484.38 8946.79 5466.47 5575.61 8119.78 5654.11 19071.85 4804.59 6681.61 7129.28 6907.29 6622.43 6166.61 7127.68 6706.53 7567.52 7152.78 Dolastatin 10 31291.19 10748.48 1167.26 17715.55 10745.74 7400.29 5950.93 31052.29 30335.26 7414.4 4225.79 11103.48 16571.08 12011.31 94722.85 13465.6 41622.47 36033.15 28618.33 35937.98 15196.45 4348.83 4491.97 10082.26 29743.14 5895.66 2211.13 2210.07 23882.17 28080.1 32504.93 12743 4192.16 1426.68 2949.12 11528.09 13100.6 4025.83 856.22 9116 43853.2 26255.62 10325.02 23195.68 24401.55 6548.59 27547.79 25658.32 8616.5 29417.79 11283.36 11096.6 7174.22 9523.35 20036.67 19624.98 5811.83 16438.55 20419.48 11748.35 14818.73 2508.32 8269.72 4274.25 13004 17290.68 23542.59 11066.69 40027.2 19056.11 15736.57 17497.75 11333.09 21005.51 10566.2 15364.01 15763.55 15778.52 15754.74 15105.96 15263.54 15780.6 15295.56 15325.56 2,4-Dichlorobenzyl carbamimidothioate 8369.55 9954.42 8700.17 10076.4 17470.65 11528.83 16876.77 6769.04 8417.81 10845.59 14353.07 13038.31 8648.97 8115.76 9760.68 10127.05 11123.59 11776.71 14133.1 10605.1 45945.98 14515.63 14987.68 18317.18 14188.26 11303.58 10182.44 8138.32 11112.19 15656.59 25575.42 12749.66 6393.12 15567.42 19410.59 29175.74 6481.29 15030.32 8880.67 14820.55 12069.52 6961.96 4881.08 15131.52 6172.22 5180.93 11462.27 10004.56 6476.82 6461.88 8814.68 5112.23 13230.55 5340.79 8728.23 15213.26 4876.39 5679.81 18256.5 6359.88 9994.93 12860.84 13807.02 12311.45 8645.94 5232.39 5276.32 14545.7 11388.13 7280.14 4320.55 4529.58 4048.51 7179.74 7951.94 7596.73 10237.29 9742.79 9549.4 10018.78 7422.22 8616.88 6844.14 10218.4 8167.11 9695.1 10273.26 7976.52 9112.67 7082.1 9418.54 30922.39 9150.74 28736.77 9286.85 25990.93 31452.0 10081.4 9405.59 10886.6 6796.82 6833.43 6728.62 6716.42 6862.22 7032.02 6723.58 7971.54 5654.13 5-(9-anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione 3522.31 3929.78 4432.21 2974.44 1806.16 1905.46 1336.45 1808.3 2482.03 3170.03 2577.69 3600.91 3307.25 2720.16 2421.91 2513.01 2075.63 3337.89 2787.85 2189.74 3912.45 5346.22 4822.24 5261.89 4946.57 5224.09 5273.42 5654.95 2975.8 4064.22 4308.08 4205.86 4208.95 5500.92 8135.38 4992.42 5659.74 8402.1 5397.81 5449.42 3699.31 4332.32 4558.68 4947.96 3109.24 3294.29 2734.57 3415.13 4708.28 2678.39 4225.24 4856.73 4153.9 3829.67 3609.39 4506.9 5533.19 8696.76 3421.49 3710.71 4867.27 4205.12 4184.23 3283.01 3326.16 3265.08 3412.93 4573.11 4114.81 2850.51 3709.62 3280.74 3200.81 3216.25 3632.8 7368.79 7859.38 7922.74 7759.71 7900.36 7934.35 7926.22 7921.02 7928.45 Silenoside A 1041.04 6551.05 6984.55 5848.09 2293 284.69 732.12 2100.72 6113.96 3690.06 571.64 7027.07 12370.43 847.1 656.89 4475.33 5554.38 1225.87 11465.05 1150.04 1178.88 2779.93 538.68 289.5 607.84 587.53 2993.58 1773.48 15895.78 958.06 1716.22 2985.29 1129.45 2412.75 380.34 3983.11 1734.14 1232.94 1334.68 1914.7 11369.22 2097.52 1323.59 361.7 4418.43 22171.02 580.17 2341.61 34154.56 9976.29 3672.46 2973.55 2985.54 6610.42 2832.59 4595.48 3970.99 328.84 2423.45 606.5 2177.28 2023.46 601.27 2614.82 733.02 9959.08 431.3 22054.6 2197.94 3677.24 671.51 6747.33 2926.31 4677.33 6600.34 5541.4 5793.62 5403.71 5485.12 5500.47 4985.69 5760.31 5976.15 5733.68 P-Hydroxyatorvastatin lactone 7392.61 3047.72 2444.68 1467.26 9363.54 445.79 2893.83 7262.1 9079.95 1992.61 2695.75 8319.89 3684.01 3860.13 7225.05 2109.73 3038.11 9121.76 8194.99 4045.3 7577.07 1445.18 2035.27 2103.61 6576.14 3294.14 1286.17 3800.48 4610.23 3724.72 1902.7 696.92 787.42 2599.74 3073.92 5408.01 4608.18 1305.03 816.61 2222.32 6231.35 8889.78 564.87 1003.32 10056.34 3208.8 10883.48 4060.6 2093.31 4085.37 7790.25 1716.3 1470.52 1666.13 4315.34 1381.63 1329.96 1651.96 3700.39 1312.72 875.1 3460.77 1370.73 503.43 1719.17 5128.35 3616.04 6480.44 5612.74 7907.25 4544.5 731.05 1169.45 1918.46 4669.22 3674.5 3564.42 3799.62 3556.92 3964.97 3899.98 4083.5 3974.41 3773.09 Scropolioside B 9270.28 9805.29 7646.99 5937.26 5427.27 4291.26 3046.78 5013.02 9818.29 7911.37 6791.52 2093.19 3786.19 6611.62 10019.45 10155.48 7841.87 12638.98 4710.64 6787.65 6394.98 572.29 6194.92 6323.02 6143.72 7479.18 4921.25 1841.81 2361.81 6963.73 3523.47 6024.85 4694.5 6443.61 5550.88 13691.81 7422.43 2117.81 5628.26 5439.45 5348.7 11472.83 8939.51 5047.92 3143.74 2676.55 6861.72 2151.65 5503.39 3876.19 5925.01 9229.05 9783.33 7024.29 7660.54 9770.63 6695.52 1693 8303.3 6850.49 8432.71 8353.91 10499.8 9565.54 7568.8 9239.06 6575.57 8743.81 5434.76 9130.47 4132.84 9532.27 7419.73 4894.77 9136.25 7513.05 7164.38 5665.24 6782.04 6962.05 7233.9 6783.83 7186.22 7184.55 Aldosecologanin 6244.96 2013.44 2277.38 8580.88 1371.68 1505.11 9875.02 3615.68 1325.7 905.3 2778.19 5031.45 1731.66 4065.23 5784.39 6521.34 1093.31 10660.13 460.08 1451.6 2555.98 1879.82 1552.44 2457.73 2431.32 1147.26 1262.94 1495 1296.12 1306.42 2033.42 651.07 937.15 1113.88 360.81 614.71 1926.3 2103.46 5481.92 2071.59 428.76 410.3 5661.05 1777.3 2579.54 5359.41 7720.85 5233.49 1475.81 941.33 2438.35 5928.36 4941.07 6861.83 8187.46 5006.15 1375.38 3613.6 4781.96 2421.89 4386.1 11439.97 5541.86 8401.68 756.91 9268.65 1354.81 3644.68 5168.1 5744.23 4821.51 2589.16 8182.01 9024.87 14576.38 3761.69 3926.06 3915.16 3717.18 3747.42 4154.44 4024.33 3580.23 3943.03 Flavidulol C 16351.67 26226.11 22213.55 20760.64 22066.18 19769.15 28511.83 17651.04 17164.47 19315.82 16863.57 25303.27 17779.64 25186.64 16250.23 27037.47 22252.03 15315.08 21331.07 13350.31 15698.97 9486.63 6122.46 14351.17 14003.4 7785.78 7311.65 5833.03 12386.75 8980.52 18730.1 4883.34 4883.01 9181.64 13664.22 12923.19 6873.35 17809.84 6805.78 13991.14 19174.16 13295.26 20056.6 19674.02 26291.31 16301.49 20502.41 22366.12 8964.75 19315.26 23853.52 18408.89 14930.54 23039.62 13712.47 17215.71 18501.98 20809.47 18546.11 29332.58 10685 18860.92 14853.31 21175.2 20000.03 18075.52 16466.24 19040.8 22343.44 16959.4 29020.85 15738.18 11235.84 27780.06 27377.98 19371.47 19804.39 19373.33 19768.47 19393.99 18997.26 19764.96 19564.31 19424.6 6-Aminopyridine-3-carbothioamide 117.71 39.16 192.82 38185.01 13157.44 29587.49 42869.13 187.99 160.86 72.92 74.75 161.19 8664.6 86.63 385.44 2650.79 2861.73 259.45 132.69 236.46 183.71 61.35 46.43 208.27 101.33 62.96 348.19 170.64 150.46 280.88 113.84 514.98 67.78 2123.5 768.49 1344.13 134.18 256.18 200.7 226.03 3010.39 333.4 62.31 42.62 563.12 18579.74 121.32 254.34 223.24 2090.6 308.04 80.09 1285.54 3315.65 84.32 73.22 268.45 63.14 298.86 2367.78 274.85 2843.38 120.82 76.28 70.55 358.4 359.45 151.04 53.79 209.51 97.58 319.7 47.44 1480.25 4229.74 3436.79 3438.68 3482.51 3482.23 3476.29 3452.37 3631.19 3382.24 3466.42 Phytolaccagenic acid 5754.15 3924.25 2902.8 5151.98 5895.11 3126.83 7655.67 6724.56 1640.96 2078.66 4526.88 3088.39 8361.85 1059.43 2039.28 4257.75 4687.24 3718.45 6766.39 2871.49 5009 1518.51 7179.08 8750.17 9249.77 7542.45 5101.65 8685.55 5823.83 4124.65 1463.95 6943.35 1340.47 3862.18 5320.84 7319.92 4535.57 1537.97 5667.87 3287.9 829.65 4503.16 8243.4 5336.95 3366.69 7552.04 3398.38 5743.36 7756.18 8284.93 10985.1 7770.85 6152.86 10339.9 8477.41 5779.87 5332.21 2035.46 3538.44 7329.46 7065.91 4525.82 3164.91 2450.13 2967.48 3279.31 4205.56 3159.92 3214.14 3312.25 2500.77 2476.22 5702.34 3726.9 4987.33 4653.59 4458.99 4481.29 4882.11 3768.27 4660.41 4692.76 4608.14 4162.67 Pectenotoxin 2 7258.79 7037.73 3282.73 1974.98 11631.93 6725.25 1905.86 21459.1 10980.08 19070.2 7370.2 19171.13 3528.04 9210.67 24864.79 13828.16 9273.78 31635.36 35941.48 4455.89 8924.46 6351.17 6321.46 6311.02 12906.8 9003.98 5659.76 1252.84 8470.98 3086 4709.86 18606.84 13428.58 5322.27 4613.37 8555.79 14342.62 2492.7 3483.06 5184.88 2483.95 20725.89 6856.23 4786.23 21169.69 2666.05 3270.29 7368.28 9877.77 15032.77 10854.18 14781.38 6078.1 2304.09 20060.34 9131.39 1117.44 3269.88 24963.83 1913.52 8395.01 6807.37 15133.3 13983.56 7969.71 22071.59 9711.69 9695.87 6440.46 22141.57 3993.76 22169 7313.33 4138.78 2237.16 12443.08 12423.75 12208.28 9982.91 12129.58 12063.01 12430 12036.92 12243.82 Nandrolone phenpropionate 14632.26 34758.8 24130.95 32112.3 37265.31 23231.13 39230.26 32176.52 36512.81 41957.96 30201.97 36328.48 27794.83 12619.74 25895.66 29690.83 42121.15 27129.11 51418.11 19024.38 23769.96 14222.75 11692.87 12556.4 12425.71 8490.4 10291 10606.17 9005.65 12171.76 18061.42 10186.46 12260.4 22102.72 13910.43 11626.65 10817.18 15890.2 9972.66 22666.47 29521.49 26079.4 19780.34 22439.02 36114.46 37259.8 36714.71 28815.71 19369.71 31400.95 23264.4 21562.65 26136.74 26264.44 11106.59 18485.58 23906.16 26987.62 18761.13 28665.16 48173.79 35780.21 35685.36 24497.83 39454.97 28712.75 26327.88 34961.39 27223.48 26756.87 30790.52 46640.8 32514.88 32958.03 37582.7 28666.34 29102.19 28760.03 28963.91 28654.22 29097.34 29102.46 29085.25 30408.39 Coroxon 65018.49 67832.08 46874.23 49946.13 62514.72 57734.14 52579.53 35752.07 62160.62 47278.59 77168.41 80267.24 57421.41 61151.95 60921.16 40487.12 78078.47 32683.57 54974.02 37636.84 74448.05 70478.55 75435.61 93158.11 58789.98 68894.88 64075.25 96439.72 82795.85 55188.6 41698.8 42530.94 68409.62 75806.21 107305.66 52376.7 47842.52 61764.92 86797.87 62891.41 75005.72 70245.54 56202.76 66491.77 72313 62604.43 76904.87 69828.45 82682.75 53198.72 91872.12 63726.93 57226.83 71601.8 73297.44 62604.73 44145.01 66273.25 83771.16 48563.12 75104.86 70225.02 76099.64 62422.16 70478.15 64440.34 32271.31 69065.14 54473.43 55865.22 41265.8 76977.59 43537.27 42272.76 57986.3 53143.39 50732.91 52696.56 50763.86 50744.07 52787.64 50738.6 51533.01 52724.27 Chlorthiophos 2189.76 1045.34 2933.59 5502.73 3944.98 10798.79 4064.23 1419.27 2170.96 2489.15 2965.79 4820.43 4390.61 4401.44 998.95 3973.38 4324.61 1971.39 3921.24 379.14 1555.07 2768.45 4327.43 2693.93 2637.6 1067.27 1861.97 2410.21 2874.47 2788.32 1601.86 3764.26 1375.85 2287.47 2599.36 2769.72 1459.05 826.74 4761.42 1190.32 6267.93 6538.56 5214.34 5010.26 3617.33 3093.91 546.98 2339.57 2665.45 5489.45 2601.65 1699.87 6086.45 7788.13 6695.6 2801.8 1970.25 3511.75 2870.64 4482.65 4203.3 5165.81 1555.57 4370.92 1898.42 3666.34 2181.84 2675.71 2916.79 1082.11 2624.31 4793.39 2839.03 6738.29 3724.83 121040.11 104203.16 96032.19 102129.15 96497.52 93104.87 103985.43 101399.64 107573.46 106414.64 102246.91 109263.32 121294.78 100874.94 98003.82 96110.77 106889.34 103260.52 106789.38 116681.94 100256.33 106849.62 113334.91 111623.76 107450.02 5115.85 5016.27 5187 5073.92 5131.14 5156.56 5081.3 4768.95 5072.68 Bixafen 844.6 879.05 1586.83 2680.25 3144.18 3619.24 1628.89 343.65 884.59 2201.78 2969.27 3857.45 2129.55 5237.61 1937.44 3243.52 2915.01 527.19 3440.68 1106.32 698.94 391.14 2390.31 1697.53 983.13 708.71 1162.57 1513.16 1318.53 1388.3 536.76 1697.98 1108.08 1248.08 2205.41 606.88 592.53 401.67 2748.87 1613.66 486.34 910.36 3286.13 2894.5 1531.64 325.7 529.17 1654.81 1024.31 2530.21 1119.78 431.91 2365.28 3204.98 1424.38 1650.93 527.99 1414.3 1392.74 1521.27 3548.9 4804.92 1488.87 1326.16 885.15 2254.66 377.7 2479.16 3699.75 2251.43 564.67 3479.35 3875.51 4291.36 4069.32 2680.22 2506.87 2772.75 2674.96 2674.94 2647.01 1614.84 2678.88 2549.16 25-Cinnamoyl-vulgaroside 7192.28 8763.81 8092.01 8963.93 15449.68 15081.37 8985.31 9169.24 12544.61 9130.26 8510.49 9051.6 10877.6 1252.3 13281.71 21111.56 23936.75 8926.34 9768.87 6370.47 7950.25 4583.55 2734.5 5832.59 6385.36 5757.94 686.11 3000.87 9199.25 3071.81 3919.76 4695.04 1798.32 7440.93 1518.36 6372.01 6185.6 3594.12 4019.92 6346.3 9828.49 7333.29 2105.59 6909.18 8921.5 10133.42 12939.02 8390.11 6763.76 5024.35 9772.37 6949.74 7333.18 8248.03 9192.52 6931.77 6189.09 2830.27 7515.49 5330.37 8187.4 7125.68 14078.1 8083.11 8060.76 11659.46 12162.3 8469.28 8965.66 12896.74 8933.96 8922.03 9102.29 9838.94 5987.86 10961.07 10912.66 11718.42 11297.05 11836.3 10379.41 11131.91 11213.87 10987.06 ganoderol A 153000.6 90218.34 95371.15 167258.09 58866.32 87092.3 102311.6 95447.09 104053.44 132970.81 110677.44 81343.96 82640.1 158099.3 135954.23 78574.64 156130.97 105073.36 120521.26 104903.35 81761.27 95789.55 99937.37 110000.75 94305.19 87529.21 84211.01 92700.65 121834.01 106538.58 1124.91 66057.26 39929.83 94333.74 112088.89 103947.84 103952.26 43817.83 151359.56 107210.72 100247.82 62781.5 146999 161320.32 123391 114478.93 108729.31 100382.36 102576.69 70737.73 65096.35 128114.64 123120.7 120366.05 111217.04 124556.67 109675.18 163640.65 133093.71 126439.18 135442.19 141908.56 117472.71 114224.57 109757.59 50214.51 110985.13 125967.86 131795.67 71511.17 102279.71 177355.12 121261.09 104977.94 116952.35 4818.91 4407.97 5139.64 4321.84 4190.3 4553.18 4559.35 3588.96 3581.81 3972.07 4657.83 3390.97 3380.35 3318.27 3099.72 4584.13 3769.62 3672.79 2975.57 4202.02 3256.59 3568.78 3408.19 2970.2 2679.07 114169.4 110793.09 112735.21 111145.67 112013.93 112100.61 110782.3 109757.14 110743.7 (2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-5,6-dioxonaphthalen-2-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid 18695.4 30626.32 15079.9 11020.6 25743.33 2808.49 11196.32 27488.58 23168.23 36106.11 3989.54 48017.31 13728.17 24553.06 32359.12 28814.8 18113.97 48513.96 29580.7 26561.4 6618.83 6457.47 17813.86 17277.59 43793.28 16725.02 19318.65 26657.56 30953.05 3342.15 5199.67 11475.35 20193.93 20079.92 8259.99 42300.22 18257.28 3877.09 22968.28 12000.52 12057.37 10870.3 28850.72 16945.55 39019.44 5958.46 35806.53 49365.49 7814.64 6645.77 12562.75 12913.74 24605.99 6470.66 10621.1 24900.43 15477.71 14242.69 28617.94 11727.45 28210.71 26532.45 26813.87 14574.38 29851.09 33173.72 12018.75 20067.08 25450.62 29932.57 18058.38 17413.85 6016.34 4536.42 17514.65 25203.07 25204.7 25094.94 24653.43 24675.48 24610.57 26054.41 24893.55 25296.11 Spenolimycin 2285.48 2344.59 1575.18 3039.01 3015.02 714.25 2750.36 1917.15 876.13 3492.2 1081.75 702.08 1232.91 1039.35 3076.88 1908.09 3452.95 3645.5 2383.18 1211.82 1965.03 1128.91 1536.42 1749.98 1087.65 757.79 500.96 1188.39 774.78 1099.19 900.8 490.04 1491.65 1001.15 2000.42 699.21 1379.41 1463.08 651.77 1337.22 723.11 1090.35 870.35 2782.17 1472.34 2853.87 3933.13 1693.78 1004.32 1494.3 495.36 1189.08 1752.42 851.98 1032.75 1986.04 2203.76 2668.55 3261.44 2292.7 3340.92 2872.08 2190.68 929 1597.25 1711.74 1783.04 2615.56 2178.42 2663.64 1386.81 3813.11 1859.29 2955.62 2743.25 1555.89 2018.21 1843.85 2196.38 1953.28 1927.8 1599.12 1978.15 2017.74 4-Chloro-2-(4-fluorophenyl)quinazoline 1196.11 1668.73 777.14 6271.84 2387.93 7383.7 585.63 3217.71 1195.65 1307.47 1601.99 1126.46 1875.67 1796.34 2480.3 778.84 1173.07 2017.27 2919.45 3322.24 1858.34 1389.35 803.61 1062.58 1553.92 2483.29 735.23 886.67 1542.69 666.46 5169.29 1838.82 4605.71 1403.56 744.63 768.55 1875.86 517.16 1562.79 764.17 469.48 2775.33 804.8 2429.95 4515.05 1795.05 4882.11 842.18 1185.16 4786.7 2022.19 3762.52 547.75 584.67 521.08 1259.86 915.09 3228.11 1373.89 5719.26 866.8 7314.91 1612.84 1267.54 1837.54 779.73 7002.29 895.69 1451.18 906.44 4306.51 715.77 744.27 8814.02 1573.55 1059.77 1725.71 1809.19 1728.95 1809.75 1637.12 1628.24 1694.31 1634.66 5-(2-Fluorophenyl)furan-2-carbaldehyde 2721.04 2824.47 4535.89 5977.95 4487.96 5348.24 5659.73 4049.48 5909.73 3860.05 8148.17 4218.06 2359.34 4885.33 6903.87 9209.52 14639.07 13815.47 5848.94 16225.17 1399.55 1225.24 3355.85 4348.37 3652.34 3199.21 2989.28 2331.93 5093.06 1026.37 1826.58 3800.77 2044.16 4325.69 4566.41 3141 3244.3 1582.24 4073.16 3968.52 899.19 1398.12 6691.79 5589.83 7961.61 8413.16 10511.19 2729.56 6166.47 4334.34 1663.35 987.92 5406.47 6218.76 4613.32 4079.69 7255.36 5692.18 7021.32 6029.83 8949.01 4489.36 4758.37 5934.4 7948.95 5626.31 6298.99 5590.21 11085.89 10727 13322.42 5452.46 6599.92 10850.13 6441.89 6399.96 6306.89 6411.1 6392.47 6403.12 6401.34 6242.11 6243.09 6411.52 (4-Fluorophenyl)(pyridin-4-yl)methanone 12042.17 9887.77 9608.22 8850.81 17429.26 14761.7 11802.39 15591.61 16272.97 13661.27 17577.31 20447.55 14477.34 12585.9 9023.11 17726.1 10232.74 16825.9 18411.42 20583.99 11270.8 11502.7 14684.32 10634.28 11364.8 8005.3 7843.29 9828.36 16642.49 10354.29 13741.76 22143.21 9022.23 11906.3 10342.36 16561.92 9323.72 534.22 12911.25 8488.95 23055.98 20254.73 11016.26 10759.35 19849.46 15810.89 17492.38 18138.63 18221.55 26430.29 11690.45 11012.14 13566.45 13444.16 7389.16 9623.61 7788.82 7323.61 12539.21 8916.43 10052.71 9265.83 9228.13 10257.71 13466.11 10666.59 13819.26 12631.6 13493.39 12441.2 11200.35 12712.68 11021.37 9794.88 10456.6 11316.07 11392.37 11323.68 11314.63 11396.27 11266.68 11396.44 11536.25 10909.04 2-chloro-N-(1-cyanocyclopentyl)acetamide 4269.04 5049.02 910.29 1153.51 5910.64 4691.59 4655.46 5368.18 4602.85 1135.96 3883.51 2086.61 3883.9 2633.15 2745.67 1795.93 782.84 5694.95 1953.71 2419.51 1615.14 818.01 1109.08 458.04 4737.31 1720.82 633.47 554.63 3540.1 846.49 4564.07 2971.47 2249.1 535.03 867.78 3907.14 1229.27 909.8 1101.03 922.58 3365.38 3278.73 2269.39 1444.65 3571.71 2181.1 2923.77 3010.59 2260.44 5286.21 3183.33 3723.55 893.85 3187.93 1562.37 2635.82 403.59 3334.75 1746.85 1508.62 538.35 1601.44 5917.43 1523.24 1793.64 689.17 4187.56 918.85 2600.55 1115.75 1191.29 2185.26 4787.43 911.41 2664.88 2625.21 3514.31 2365.83 2555.71 3592.1 2969.6 2797.57 2888.5 3022.62 Stauprimide 433.37 1326.7 4051.31 2950.51 5069.54 2234.92 5391.98 1480.89 4163.7 511 1639.72 3556.46 5985.51 2345.46 2893.42 4007.7 1027.32 2842.73 1510.77 1754.93 1250.28 3024.69 1868.61 1226.41 2741.62 9190.7 759.12 952.95 747.62 5339.45 819.37 2036.49 574.58 608.04 471.1 1134.07 1250.57 977.69 1152.72 2298.92 1690.45 3341.2 2805.06 2687.58 584.61 1977.71 2865.83 2155.47 1475.54 1135.33 3548.41 1520.94 2506.7 2136.54 1823.04 2275.33 5592.26 3222.23 2187.54 1577.87 773.83 5119.47 3399.9 3584.93 2431.78 3203.58 4540.63 3900.24 6084.27 2507.45 1405.98 715.75 1322.5 4021.71 3342.66 3123.78 1952.58 3074.16 3224.57 2631.42 2722.84 3935.94 3073.19 3025.1 4-(piperazin-1-yl)-1H-indole dihydrochloride 4555.23 3551.16 3414.48 2998.02 13603.03 9994.15 7215 12638 13128.36 10535.49 11052.57 13161.13 9462.3 10473.95 3139.41 10161.92 3626.66 3308.76 9862.14 8970.96 5543.28 1512.07 1673.17 1152.71 8608.17 4096.01 476.96 3042.49 875.97 2673.35 8491.15 502.49 6501.44 3511.02 659.96 5370.71 10432.05 4367.85 5823.99 804.08 1677.22 2285.06 2889.46 1925.53 11991.53 4794.6 9433.5 4208.84 993.02 3922.56 686.08 4083.12 8429.41 3037.58 4888.62 7215.5 3523.68 4888.02 3235.95 1294.62 5465.37 4455.68 7808.53 4330.45 5276 10401.92 4094.79 11407.52 3361.72 8696.21 7299.03 2216.93 9276.08 5861.16 4837.69 7501.14 6865.5 6902.7 7555.3 7752.42 7518.81 7962.1 5513.34 7044.63 Phantomolin 1656.26 3060.47 1697.21 1589.83 3608.12 4656.91 2931.46 2055.71 2602.22 4203.52 1470.06 4962.1 3808.92 3201.86 4166.72 2370.37 2906.46 3745.23 4543.63 459.41 828.59 1514.42 2052.87 886.85 1579.43 715.67 1385.37 1240.05 1868.77 634.08 996.88 1307.92 1311.21 1318.33 611.22 2937.07 1257.54 504.45 2105.15 837.7 2422.73 2110.9 2672.87 2358.22 1324.27 2243.85 2452.21 3019.97 2365.54 3148.29 1481.54 3092.2 1702.49 2781.31 2740.02 1563.49 1254.65 1311.76 3003.12 1168.32 1871.55 635.12 558.34 3081.18 2280.94 1328.38 1715.93 3625.46 2124.24 1281.49 968.78 4011 1726.77 4637.7 3713.09 2891.64 2595.17 2908.14 2951.09 3148.18 3020.58 3433.67 2839.33 3076.38 (3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside 1128.91 3448.52 12766.47 22171.65 2665.53 1798.48 14951.97 8000.34 11839.57 2244.72 9493.41 11137.33 8444.33 10919.91 14607.87 19504.37 3587.54 8366.89 8350.09 6594.06 2318.66 810.16 9795.24 7982.11 2898.72 2288.58 3878.2 3330.87 5049.4 1352.66 4327.04 5243.21 1673.37 11793.73 6675.18 4025.4 2901.99 791.34 10068.63 3631.08 3940.77 10710.4 13662.19 9312.58 7778.53 3387.72 6979.51 560.22 3715.98 2648.14 7968.68 11430.44 13248.91 19954.29 16280.27 12197.73 9190.69 16650.02 8400.69 2845.48 10983.02 9888.58 11770.7 16267.61 3303.49 9916.44 14084.01 10624.03 16324.1 2129.98 5752.29 1621.68 6588.2 13286.09 13671.6 8580.65 8360.97 8556.17 9000.78 8361.48 9241.44 8508.88 8976.06 8664.43 5-(2-Propoxy-ethyl)-[1,3,4]thiadiazol-2-ylamine 6996.48 5186.26 4933.08 6188.64 8026.84 8360.96 8128.48 8992.56 8222.52 6275.05 9698.49 9591.45 13674.69 7316.23 7976.75 10191.4 6126.73 11714.58 10681.18 19842.33 8007.37 2592.94 5228.69 5340.54 3615.04 4351.25 2395.88 5437.67 8962.15 7112.26 5529.4 13005.18 3849.56 6320.43 3842.73 11221.84 4712.48 1427.16 5065.14 2197.68 20096.63 9005.89 8413.92 3700.49 11206.47 12530.89 9541.15 8505.03 10473.36 14126.09 8069.26 5089.48 9412.78 7959.44 6415.3 6277.23 3566.02 3105.36 4553.03 3676.16 5253.63 4388.7 3980.41 6829.8 9307.33 7813.78 7823.67 8881.2 7760.78 5262.5 6019.33 5898.17 5275.58 4118 4961.02 8647.22 7558.03 7685.36 7272.17 7748.43 7583.47 7635.49 7337.94 7870.94 4-Methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine 3132.38 2412.66 5273.23 2537.5 1107.8 4486.3 2016.79 3833.82 14558.61 3017.53 2524.15 3823.62 2327.28 5931.36 11004.92 708.51 2043.96 9539.04 4355.95 1388.42 1512.58 4672.89 716.93 3662.96 786.98 4717.04 651.07 3241.85 2046.66 1470.22 616.43 4787.85 1135.23 794.25 7376.38 4462.34 2741.27 4733.65 4052.68 3104.16 1355.62 2473.84 1038.15 1261.12 9004.84 2959.4 3878.92 3234.4 5389.82 2452.05 2650.53 803.84 5254.58 2076.53 2480.7 4158.57 8380.64 5471.92 1276.01 10386 1402.4 8096.89 7304.59 3703.97 1124.81 3578.57 2064.3 3885.07 2984.06 797.7 883.36 3898.38 9520.87 572.37 3386.3 2936.96 2968.55 2999.28 3138.06 3034.3 3220.34 2968.93 2978.04 3124.81 (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide 1310.53 1021.41 674.12 1118.77 3610.74 2137.14 436.7 814.37 488.28 2470.14 1512.62 2106.04 1871.66 954.79 1326.01 1267.24 2325.96 1301.03 2520.81 871.29 1692.13 646.31 997.37 761.24 359.46 540.31 728.57 661.13 382.81 389.85 4107.97 1277.21 2057.33 706.79 362.26 828.58 768.38 445.72 825.4 857.19 1029.78 416.96 601.94 514.36 728.03 810.85 2818.38 1195.74 679.65 310.73 488 1074.82 1159.04 1327.82 1613.6 441.46 480.3 1194.15 1290.77 1522.83 582.72 2343.53 1052.36 1183.14 2553.49 1862.23 974.35 1394.2 595.34 1107.91 1513.91 1986.35 1964.67 3990.5 1733.24 1417.34 1972.78 1745.98 1806.91 1568.38 1553.32 1732.97 1689.73 1533.65 TAXININE M 24070.49 19634.19 9255.71 11185.48 81454.69 22783.7 26524.9 41099.1 27935.06 36863.73 37013.29 74474.87 32206.97 23145.59 40768.14 66092.84 24557.28 77802.92 77886.33 11466.83 31970.03 16048.83 13108.31 14770.43 36632.61 29567.6 9366.33 11975.71 42741.41 15045.46 12809.05 70502.22 21060.17 9631.48 18977.13 22443.55 36478.59 3773.71 13198.8 8595.48 25493.64 57046.25 24753.82 16347.13 78370.4 39757.23 25723.73 4977.47 27594.46 76403.72 31035.77 42565.51 36940.17 25696.61 65596.66 26618.23 12384.68 14666.38 61842.36 27868.29 28911.75 16859.46 25554.37 40873.12 27518.27 57194.03 9386.1 35105.05 29508.03 33914.59 13366.58 47266.91 39839.46 17094.56 29760.67 38405.71 38649.06 38433.24 39040.81 37603.82 38439.16 39842.37 39024.27 38446.23 Flumequine 15607.71 1445.03 3993.47 3305.08 17506.48 3723.54 10750.36 23032.94 33044.43 9446.55 19587.78 12443.49 6652.19 10738.5 19792.4 17813.53 11276.68 33357.74 10562.29 40859.75 4521.62 6875.01 3429.25 3878.57 2716.93 1202.68 2518.93 1206.22 9399.97 2577.19 1329.89 16493.59 1727.34 2699.81 3984.52 4567.07 2767.85 982.03 11170.61 1060.44 19136.14 18722.55 1470.66 11764.04 28752.43 14588 23476.04 11295.8 1836.18 17492.6 2981.49 10009.82 13035.44 12792.07 12639.31 1210.31 2245.09 2419.1 15600.49 3895.44 11439.09 3929.89 11370.35 6201.99 9222.28 16800.46 31634.44 14486.69 14809.42 17650.2 16466.29 598.7 15556.58 2417.05 2836.67 14379.85 14938.58 14680.71 14344.59 14357.23 13408.63 14459.13 14705.92 14349.97 6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione 4388.75 6511.11 7449.21 3492.54 2133.92 9499.64 8429.25 3903.59 9071.78 1765.24 3443.75 6683.67 6314.28 3067.1 7072.18 9365.45 4305.32 2441.64 1102.26 5527.62 6416.26 3850.2 3310.95 2771.87 4025.33 3618.55 951.04 3206.83 6742.72 5672.01 11014.42 5597.07 4967.03 3388.23 10742.89 2203.98 8250.49 1414.26 4181.69 1277.86 6894.53 5745.55 8582.08 5826.03 10537.2 11614.78 7600.74 9544.84 1612.88 8385.76 4829.94 8082.34 6832.65 16384.09 6334.61 9231.07 11643.71 7123.51 3675.1 5985.13 7415.62 1180.98 9826.63 6318.26 2713.84 4124.24 7485.83 8414.84 5951.09 8858.25 4901.31 1102.07 8338.79 6974.56 11371.44 7946.16 7178.28 7372.49 7447.32 7372.52 7019.86 7028.02 6963.28 6956.23 Pefloxacin 1704.51 631.45 2359.24 1480.32 1639.76 3389.53 1289.82 3439.33 5163.63 882.2 1222.71 1697.3 947.08 671.34 4016.95 577.22 1332.1 2950.79 1441.74 2416.65 568.43 2094.83 1105.08 477.63 2424.59 1963.73 795.44 421.45 2204.81 968.63 600.82 1554.09 1942.6 416.52 567.26 1100.34 1479.89 9368.44 487.14 1283.52 676.73 3257.81 1467.24 418.14 2027.87 665.34 2191.79 600.38 1115.68 1604.62 628.81 1131.03 1033.13 1832.37 2613.34 3849.31 355.93 2204.14 1880.09 1686.27 998.77 1136.59 3328.8 1102.95 2061.34 1598.01 2003.78 993.09 1443.84 2725.12 4916.13 1453.24 1114.61 3281.47 2391.18 2356.22 2610.77 2500.31 3140.48 2619 2646.65 2334.92 2685.05 2525.91 N-(2,4-difluorophenyl)-3-oxobutanamide 2224.95 1974.86 3978.91 3725.15 6892.57 1694.49 4529.41 5923.41 7276.22 4639.47 3684.65 1121.6 5564.15 3286.77 5640.07 5139.94 924.6 4220.1 2544.86 5529.39 2074.75 620.13 4823.29 1003.73 1156.6 1023.24 1315.61 4213.14 932.66 1570.99 1522.05 2686.89 829.86 5008.23 3534.3 3464.77 736.63 1347.52 4353.95 3249.16 4918.37 542.38 3579.41 2371.64 8138.1 8002.29 995.77 2617.98 5425.92 1082.47 6122.02 2330.08 2133.91 6215.15 2740.87 1410.1 491.43 1322.06 1557.17 1179.29 1477.07 966.45 2864.29 4143.53 1611.87 5484.11 4283.25 3163.62 4510.94 2114.76 2127.45 1198.39 4121.42 912.32 8248.13 2451.38 2864.72 2853.18 2891.74 2465.73 2918.44 2895.42 2443.74 3013.21 5-Bromo-4-hexylpyrimidine 4085.22 4300.17 2408.62 1724.57 1501.18 3064.18 979.25 5155.16 3964.65 1563.64 1440.94 2203.57 907.48 1196.78 5132.09 1915.77 1608.17 5539.24 3883.94 4404.61 1594.05 2958.6 1721.83 973.4 2065.11 3240.2 770.69 534.62 494.06 553.04 5637.95 2773.49 2247.89 2089.46 1791.53 2184.71 4340.77 457.01 1600.75 2144.28 1878.28 3777.96 1774.82 2691.55 5147.69 2467.3 2604.97 2080.82 785.36 4297.22 2698.6 1169.99 1856.31 1219.54 929.51 3324.99 1270.84 1349.78 1929.18 3351.25 923.61 1432.62 4385.2 1278.08 4740.52 3601.47 5879.31 1601.77 2905.85 3191.42 5037.16 1811.53 3339.6 1985.42 973 1699.92 2378.13 2463.41 2376.72 2545.32 2399.61 2706.55 2680.36 2525.32 N-(2-fluorophenyl)-2-phenoxypropanamide 6063.18 2990.44 511.78 1177.19 4365.57 8149.03 2383.51 5718.58 4710.62 6797.38 6310.53 14754.13 11121.02 5389.94 3610.9 5173.76 4447.62 11789.34 12594.73 9570.93 2876.1 835.33 439.96 873.31 564.03 762.16 1021.34 1532.5 1627.91 545.52 277.41 2284.52 2171.52 1423.44 532.96 1793.59 378.69 917.32 1338.17 877.36 7696.31 3006.89 2080.48 2557.72 10347.54 10754.66 8356.1 2080.45 780.09 8814.05 551.62 3876.21 2120.3 1828.8 3308.93 3852.78 1004.36 1672.76 4289.72 2618.54 4219.68 1279.92 2534.5 4417.64 3298.33 6160.61 5387.92 6565.11 5930.2 5852.1 3950.16 1626.12 2361.22 2825.7 6146.55 5215.36 5791.5 5612.48 5885.38 5794.01 5479.02 5823.16 5233.16 5751.02 3-Fluoro-2-nitropyridine 4063.09 2933.2 3456.61 10081.98 9839.87 7008.24 6645.63 10262.02 5095.25 12200.55 2207.63 18374.49 30893.85 8383.75 4699.1 6721.54 4279.36 7701.71 12497.65 2289.48 464.83 591.47 2239.5 387.42 3001.83 1861.83 319.6 1253.71 3003.02 1819.84 977.68 4133.59 1540.49 2955.26 1102.29 2955.45 1412.09 987.76 4253.05 456.26 6595.85 7089.3 5902.58 7428.82 10831.26 8817.78 6111.35 4708.68 2165.57 8377.48 2126.18 4016.67 7206.41 6425.9 12997.07 6865.65 2587.13 1832.03 5298.75 2195.85 6957.23 10109.5 3296.67 6693.9 2459.28 12246.03 4994.53 17562.69 7459.43 3536.1 2703.77 5313.63 1869.43 5738.39 8503.93 8877.1 9296.98 8901.81 8933.8 9127.23 9124.99 8454.98 8880.4 9142.84 D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 640.62 631.02 966.21 553.75 743.47 831.44 631.2 448.3 1858 1402.1 1103.54 889.07 396.31 1263.81 486.77 560.09 601.29 565.08 398.24 483 963.88 727.69 812.86 419.46 957.22 444.18 692.14 751 414.16 549.8 1017.78 850.48 417.61 772.95 377.91 629.54 381.61 845.37 792.1 1120.56 779.6 1468.97 1469.11 422.19 923.2 566.96 759.81 504.83 458.93 1495.29 886.58 614.37 1195.84 858.01 788.58 470.11 1275.99 1098.34 898.33 1088.7 1086.25 755.52 735.89 1169.6 482.83 1758.55 792.18 821.37 856.43 626.42 464.17 846.58 663.34 1069.24 1976.42 1122.87 1054.01 1126.75 1121.84 993.33 1000.2 1007.32 1034.67 1334.06 1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine 1437.96 3978.06 1060.26 1282.45 4727.31 1263.42 2062.98 4103.66 2149.75 3669.45 3278.38 2784.52 637.07 927.72 1857.29 4016.83 1740.09 4218.01 4047.42 6381.6 6373.8 2209.02 914.13 770.59 2090.35 2126.55 658.96 651.19 2314.51 678.34 2010.23 1434.24 1227.93 1088.17 906.08 1580.05 2905.75 1083.47 1815.45 1136.99 3790.74 4836.38 1426.19 1916.38 5249.82 4096.59 2266.96 4840.38 2359.58 4476.36 529.49 1206.96 1584.78 533.23 713.71 4738.76 1498.07 926.66 1345.45 3904.21 1533.93 2234.71 2009.92 3621.17 2527.97 2675.63 11390.45 2540.93 4012.66 3918.98 2818.85 3244.26 3102.54 1467.01 783.92 1656.49 2251.07 2225.1 2239.87 2143.3 2134.32 2162.86 2309.1 2236.78 Trilithium citrate tetrahydrate 2580.97 2507.08 3207.56 903.96 1911.08 1044.58 1105.17 593.64 4048.75 2577.29 2116.1 561.8 1864.42 3789.01 2312.74 3724.65 7125.68 2263.54 1338.02 4768.53 3570.44 2171.68 2112.75 2473.76 3978.21 3751.25 1031.61 779.57 1635.78 645.4 4199.44 1082.55 762.97 1680.77 1677.95 3639.63 3081.77 2796 1315.3 1216.08 5046.12 566.75 1652.23 2709.35 2475.18 1741.21 1851.02 1032.52 1256.36 3421.55 6047.38 1033.11 1761.09 1782.16 2294.61 4236.96 4258.58 608.53 2510.24 1577.82 1497.09 585.56 5229.69 3037.6 1374.65 897.74 3337.8 2523.64 2070.61 2822.53 477.5 4362.49 2672.95 3648.61 3255.04 2452.9 2364.94 2574.62 2545.49 2405.26 2581.21 2295.82 2909.4 2333.46 Flecainide 5536.48 3872.58 8803.34 5941.65 9640.19 7314.11 4225.03 2310.54 4944.85 7047.93 6275.04 2605.39 775.11 3793.35 8757.92 9519.84 8249.78 5222.81 1034.27 4631.72 4189.16 994.35 6011.4 6045.64 6688.72 5867.04 4516.75 4825.23 3913.6 1700.86 2911.41 13440.41 2278.29 6534.68 6210.39 5284.76 4292.25 4344.96 5808.92 4794.96 1637.28 9685.37 8287.52 3400.29 5564.84 5607.25 3348.79 6846.22 4952.02 2226.7 5829.84 5695.33 8409.95 3368.05 5219.79 9297.53 6767.47 6352.33 2589.03 2226.04 6487.29 5343.57 7273.58 7038.23 8647.09 3801.73 5560.6 7433.43 10277.35 7139.84 2564.81 6384.41 4778.47 8800.59 6952.75 6710.94 6710.13 5658.11 6199.28 6468.7 6647.89 6705.31 6224.62 5688.82 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile 2769.84 4466.14 2401.8 4944.24 4289.72 5162.84 2030.14 3055.87 6546.92 2978.75 3655.79 15302.68 10398.47 5275.91 3517.72 9741.46 1106.72 11215.21 7880.43 9412.32 4178.45 3386.93 5855.89 5311.5 4956.08 4616.66 3583.98 5073.34 7136.08 3864.16 7587.78 10982.32 4233.96 5787.93 5058.23 1959.56 3015.36 2712.94 5540.4 4404.64 10606.37 4913.87 6795.21 7141.62 1481.06 6380.36 5615.5 12268.89 7202.55 9763.99 5390.2 3692.51 6308.69 8294.7 4213.2 4407.61 3224.31 3689.88 5592.95 2771.17 1316.26 4655.83 6127.99 5575.52 7782.55 5749.76 9399.87 2041.85 8089.45 3710.61 6595.21 5696.78 7341.53 9529.05 8421.78 8202.16 8422.27 8729.68 8411.05 8215.19 8412.3 8200.78 8221.87 8423.69 Antrodin A 756.76 848.73 1265.63 929.91 549.2 5528.65 817.16 1202.03 1420.99 286.7 267.21 2596.76 1135.29 559.73 756.76 1261.95 540.47 1428.78 1618.05 1814.77 777.89 2721.23 853.6 553.76 892.5 680.39 414.29 314.62 2010.27 350.98 458.49 1220.4 913.18 452.22 305.51 1023.3 750.86 624.24 333.14 506.69 900.26 1136.72 414.45 450.95 1194.14 689.57 2219.01 1134.33 554.06 295.88 413.63 727.12 1229.22 612.3 788.57 1446.79 1022.13 696.29 339.48 3535.27 319.1 1538.75 558.77 1277.14 1612.32 1561.26 1495.67 969.49 1127.97 993.98 1159.57 1268.2 491.57 2217.66 389.73 1643.6 1901.25 1891.62 1816.54 1989.05 1865.14 1863.12 1887 1809.01 1-(4-Fluorophenyl)-3-(1,3-thiazol-2-yl)urea 1497.26 1283.85 1242.87 730.04 1477.24 1893.79 1304.25 415.62 1395.08 1605.77 1359.77 1387.85 1119.25 1318 581.87 1526.83 842.38 1473.78 337.34 384.64 3863.45 1351.97 1950.2 1927.02 779.95 2959.65 1386.35 773.57 1434.45 985.32 859.43 841.28 2280.87 1613.67 1456.9 2117.21 1764.17 839.56 1332.61 1584.5 1929.97 1733.95 1558.63 1862.11 832.12 1140.15 1075.43 1241.4 859.81 1550.07 1865.51 2292.12 612.72 358.78 733.01 889.01 1274.1 678.29 1054.38 2963.19 577.78 1063.91 1905.33 494.31 1215.07 730.67 3021.14 1573.15 1439.24 469.52 2266.14 1851.7 1204.04 382.18 901.15 1832.79 1872.89 2140.19 1862.29 1936.42 1936.47 1441.85 1906.39 1984.88 Nuarimol 8184.4 11464.01 8827.67 12887.31 2360.48 16256.48 17315.54 3037.89 8695.58 6420.44 27961.04 8638.32 9396.13 14362.29 3205.12 17464.82 3768.68 4317.22 6454.86 7486.72 5425.82 3554.96 4319.54 6764.86 4593.6 3478.69 2854.2 4762.08 5488.44 2917.29 3222.78 18237.28 3993.77 1247.89 5574.89 5493.59 4459.69 2225.26 2907.64 3935.2 5455.1 5850.75 8424.09 10313.37 3479.97 46698.81 11304.77 7389.52 5371.23 18818.81 1099.65 4354.21 6367.13 1536.87 2634.38 19704.71 14495.63 5221.81 1580.5 5988.61 6915.23 1864.26 7665.16 9096.02 2759.96 22480.69 4537.62 7882.09 19269.65 1237.32 7676.89 3271.09 7855.58 1679.59 2385.21 3461.38 3965.12 3826.85 4120.45 3478.47 3406.15 3392.53 3078.61 4145.1 N-(4-methylphenyl)sulfonylbenzenecarbothioamide 2883.03 1658.86 2439.8 4034 8738.06 11679.96 4870.48 4809.24 9525.61 4899.63 5303.36 10278.05 6924.81 4670.97 8147.94 8967.57 615.61 10753.99 8103.52 10040.62 1438.26 4723.71 2638.41 2908.21 1686.22 3030.41 1747.21 1624.95 5247.42 4450.31 4370.65 9296.73 6459.56 5483.04 1391.94 2595.7 1480.6 1177.2 5348.94 1788.04 8202.77 5592.07 3786.62 4251.09 9026.38 2294.53 1144.58 7699.3 5111.98 6344.27 3532.83 3624.56 6288.83 5509.54 6953.24 1721.25 3101.94 4135.59 4450.16 5750.94 3885.48 2460.24 5429.92 3167.88 4340.61 8187.33 8556.24 3437.36 6934.83 4129.4 5865.08 3645.14 1421.66 4845.02 2833.02 5826.95 5935.28 6416.73 5824.13 6421.89 5613.41 5882.57 5035.66 6238.96 1-[(4-Fluorophenyl)sulfonyl]-4-piperidinecarboxylic acid 5482.82 8309.5 2312.51 1757.9 3668.05 11663.91 1327.01 7004.64 8357.51 4273.1 5068.24 2547.78 2361.88 3981.44 5702.92 2412.1 3199.03 4668.61 4126.58 5930.73 5334.51 3778.36 1301.21 3545.51 3449.84 1989.3 1724.93 634.74 4887.12 3486.6 2803.06 2289.75 4595.41 2101.18 4672.34 4129.81 608.95 1799.78 957.72 702.85 7846.54 5890.95 2548.61 2462.17 2952.08 1587.33 3812.09 3277.92 2696.92 3479.2 3722.05 8384.92 4819.29 4621.14 1817.01 8200.51 1544.04 2653.01 6893.13 1650.46 2528.26 5802.11 7689.96 5533.12 2634.12 5409.71 8772.78 3745.13 2174.69 1292.78 3415.61 1191.68 2802.61 2254.02 3065.14 3258.36 3253.64 2946.46 2018.02 3293.31 3003.72 3014.41 3307.07 3038.57 O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose 760.63 1362.23 817.02 678.61 1796.6 1697.93 1285.11 1305.03 1461.05 2842.04 621.6 487.75 1247.52 1063.58 444.24 1249.13 2226.05 4164.36 1851.29 1512.02 788.64 290.8 639.95 550.98 381.46 714.36 427.74 482.63 1184.85 442.63 950.66 842.3 579.51 614.61 469.74 393.63 594.66 400.48 424.65 428.88 1416.14 353.35 438.72 508.03 951.74 1418.24 2698.87 1822.57 365.22 2296.91 763.47 939.62 995.54 1786.18 543.42 594.25 768.25 428.27 550.92 710.96 371.96 868.47 308.31 1696.08 1642.46 1440.15 1543.36 904.26 592.31 1806.65 612.1 320.09 307.11 2069.97 978.94 1725.55 1577.83 1560.55 1733.97 1963.85 1307.63 1724.27 1757.98 1673.23 Kansuinine B 1004.53 2535.94 826.57 3460.41 862.52 1096.58 2938.05 8575.51 3602.75 1132.01 2562.84 366.52 720.42 478.1 7909.9 4801.09 714.85 1467.31 3801.49 803.64 23536.31 1717.42 824.8 983.06 2171.04 5165.93 572.88 3629.5 20959.24 698.3 2053.44 929.07 5157.16 639.38 692.05 12244.41 1387.25 420.79 1715.53 1157.67 2436.05 1187.13 1055.32 1255.14 6240.99 1168.4 3145.18 13447.81 1453.47 1045.41 599.48 4268.8 2679.54 1772.1 1622.03 1023.14 644.27 1943.92 4149.02 509.96 2658.04 594.72 660.16 1000.34 10491.63 1288 1474.93 2594.41 2902.29 3371.38 2684.73 1150.69 1652.9 2272.46 570.15 2538.43 2880.82 2790.31 2516.64 2540.78 2806.89 2794.55 895.81 2430.09 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 4100.38 3574.8 1459.9 4462.96 9198.49 5015.56 4296.01 10901.75 5879.95 4766.71 4316.92 2086.86 1637.04 975.76 6786.24 4827.54 6467.18 4901.34 6621.88 7421.45 3675.92 2432.08 4034.37 2091.28 5865.33 1563.59 597.58 1429.32 6195.71 1607.11 2573.77 1495.81 2963.61 2211.24 930.15 499.81 1793.95 1042.73 4020.04 719.71 4941.79 14421.46 3686.86 2754.23 4307.32 4719.75 8909.2 11506.52 3824.89 5688.55 1851.12 4920.15 5216.78 5757.58 3566.22 4377.89 1590.43 5037.38 6110.44 1050.03 3318.53 4872.9 7667.1 4991.66 8120.16 2661.1 9460.26 1616.28 715.9 7787.43 4087.46 3169.74 2620.69 2299.81 2800.28 4132.94 4381.07 4287.12 4076.94 4161.81 4476.4 4079.72 4173.17 4415.58 3-Iodo-4-methoxybenzyl alcohol 1984.26 2086.41 362.55 1728.05 493.16 968.28 1128.63 1572.12 327.08 1728.03 3726.16 2414.22 1770.43 2369.73 1649.91 1857.08 6546.07 797.53 2337.64 2200.59 1971.6 2212.78 2439.37 4098.68 996.44 1859.36 1666.86 464.61 1418.25 2778.66 1466.11 1667.26 1787.03 2026.15 3079.6 1760 2422.91 863.78 1983.12 3798.73 943.79 1531.68 1071.89 4315.69 1982.79 1824.83 1728.01 1297.66 2251.3 1475.07 1546.03 2072.85 774.82 919.3 1767.33 1632.58 2850.03 10747.11 4053.77 16947.81 774.97 2259.3 1243.77 5927.73 5237.39 1768.77 517.46 2273.83 1617.02 1753.95 2211.43 10739.75 12224.67 6885.63 1916.79 2132.87 3046.05 3044.41 3044.79 2840.73 2955.12 2545.05 2867.9 2548.51 3-Butynyl p-toluenesulfonate 5445.31 4236.29 6765.11 5592.09 3339.12 1080.02 2770.61 3809.09 3146.82 5575.1 4660.92 2209.54 657.46 3390.86 2167.74 5331.1 4232.01 1784.04 1255.45 3259.85 3838.38 7117.37 8220.63 7153.74 6975.4 7244.5 7313.04 7737.73 5523.81 12453.07 2902.88 4802.71 6536.79 7199.77 7830.09 8170.58 6313.51 627.71 6205.34 6942.18 10031.4 5973.6 4779.6 5836.17 3175.03 4220.41 2851.04 3783.33 6608.33 3423.49 7307.64 5704.17 3809.28 3907.2 5198.24 4427.66 5326.95 5571.22 3656.35 5154.02 3875.14 3822.78 3652.89 4489.72 647.77 3305.25 3203.53 4587.02 4307.58 2383.99 4710.8 2932.06 4182.84 2695.77 4304.81 3820.41 3903.45 3870.52 3905.72 3846.28 3453.04 3693.68 4039.51 3326.43 5-Benzylpyrrolidin-2-one 1729.99 1147.14 936.76 1715.57 2231.29 3682.56 3914.39 2278.26 3710.58 2634.84 3021.86 2397.41 1515.2 1676.2 2805.1 4132.8 1939.08 3300.11 3538.34 3548.63 1428.97 601.3 943.49 1049.23 930.15 657.3 731.81 1049.71 865.67 910.76 1042.9 2020.91 1010.78 787.94 784.21 562.59 1357.34 410.82 1735.12 729.77 1610.37 1000.74 1722 1589.74 2394.72 2449.17 2357.72 2338.88 399.72 5533.78 970.48 1662.06 1864.44 1291.79 1388.02 549.46 863.92 1025.83 3046.72 598.65 2527.42 1321.63 1387.63 2587.49 4230.07 1748.03 1768.75 1511.88 2205.52 2566.06 2265.43 2863.76 3466.57 2476.9 3338.98 2709.31 2354.58 2537.74 2390.89 2427.99 2535.65 2547.03 2398.61 2538.81 Cinflumide 7341.15 5708.43 4122.72 4351.85 12261.84 10012.48 6938.67 10350.17 9908.3 7490.6 6150.6 13517.03 11033.26 5786.08 7676.65 8265.93 4620.71 10756.14 10331.25 9703.17 3437.24 7115.38 5054.56 2689.13 5540.51 4310.9 1394.87 3239.07 8701.98 2645.02 2485.65 6209.83 4380.81 2639.08 2378.49 6765.69 5208.72 3110.12 4613.33 1030.69 9285.85 8052.38 5487.01 6351.87 10870.4 7933.51 10637.9 8134.33 5427.9 8266.4 5124.22 6544.21 7100.73 5791.28 4729.72 6185.82 1573.58 2363.49 8792.83 5309.07 4069.29 9326.23 5297.47 5809.1 5696 9293.53 8328.45 7409.58 5374.2 8193.32 7296.96 7458.23 5785.13 8886.32 8182.19 7121.61 7444.5 7314.31 7551.98 7349.88 7842.53 7351.94 7336.17 7551.39 3-Hydroxy-3'-nitro-2-naphthanilide 2883.9 970.85 951.5 1985.44 5522.32 11985.37 3095.18 2910.7 4774.93 1775.77 1649.28 1767.29 2571.54 2995.3 4735.54 723.29 1924.35 6040.61 4102.64 9811.33 1651.65 877.99 742.71 833.89 919.85 450.09 8829.66 386.42 2296.05 394.41 993.23 2075.03 1000.96 870.23 462.13 1123.02 1251.58 575.91 560.59 559.98 2873.37 3756.55 865.03 1566.4 5428.88 3491.38 4052.85 420.23 1040.5 2375.42 1553.82 1543.62 1097.3 722.34 2407.42 1463.86 1132.52 679.24 2333.94 1621.79 917.65 993.82 2218.4 1235.36 671.7 3065.37 6562.1 716.2 924.52 4049.63 2596.97 2232.17 627.33 1148.85 2047.56 2171.26 2218.98 2093.58 2169.9 2127.32 2222.81 2219.87 2090.2 2119.56 2-(1H-benzimidazol-2-yl)quinoline 2022.58 2401.91 6258.82 1120.88 625.98 912.24 1306.59 552.88 1157.59 1159.74 5429.52 559.21 3231.46 2231.21 1184.25 1209.94 751.19 1189.3 1453.82 1300.46 2380.64 1417.93 1521.2 2321.13 1177.88 1797.25 2768.67 1638.4 1744.81 2011.79 364.73 648.74 1235.63 3048.2 7188.32 2179.78 557.7 1785.65 2583.13 6345.77 924.36 408.02 800.65 2183.1 913.52 630.13 335.56 454.12 1317.36 849.81 714.21 810.27 875.82 2008.73 2588.49 584.4 1527.34 5073.25 1051.23 1112.68 2262.37 613.86 3074.85 5792.37 892.17 731.82 368.87 919.21 1587.36 1360.9 560.75 2639.1 13345.43 12451.81 5323.74 2025.15 2068.14 2073.45 1847.46 2056.45 2122.12 2073.58 2064.21 1286.6 Olsalazine-O-sulfate 4636.37 3842.18 3899.79 3069.24 3891.29 4766.26 2849.85 4289.09 2941.08 2862.54 3307.21 2327.04 5169.48 2655.44 2489.57 3532.51 2216.95 3575.22 3001.04 3391.31 3354.05 3439.57 2942.46 4180.88 2764.11 3345.81 3882.18 3429.74 3250.81 4250.44 3886.43 3171.87 2939.62 3856.97 4009.8 6505.56 4409.44 3609.38 1390.96 3449.12 4027.18 2603.64 3937.2 4126.39 2922.24 3705.98 3023.88 4459.77 1810.65 4238.2 1823.44 1362.08 3793.96 3067.98 6516.7 4081.6 4299.86 4596.38 3571.71 3764.3 3364.66 1331.47 5964.06 3216.25 4107.87 3757.69 3946.95 3534.99 4453.09 3448.61 2463.05 622.51 3809.07 2663.65 3028.99 49245.61 50222.95 52473.04 52564.85 51471.64 50831.74 46132.93 56804.62 48488.55 50825.27 10954.93 49209.36 51057.04 55441.63 49508.69 37941.48 47363.43 48695.47 51069.66 52540.46 50217.13 54115.5 46771.05 51293.72 52840.63 5445.86 5347.32 4904.68 6387.51 4627.18 5407.82 5024.44 4850.42 4852.96 n-(1-Naphthyl)benzenesulfonamide 7395.17 6947.24 1643.89 2064.26 4749.53 3345.89 2414.82 7828.97 4787.09 5697.32 2929.19 2915.81 759.06 2442.47 1140.22 3575.66 3745.19 3891.15 1778.3 11638.57 2073.44 1630.13 2353.9 2637.39 2657.39 1427.99 704.48 2075.55 2847.53 1129 1109.95 3485.92 1835.04 760.15 1017.14 3174.07 3180.11 1062.33 5960.79 515.74 4048.12 10694.88 2694.75 1696.22 9395.99 3084.44 8447.71 7636.27 1416.4 3558.83 4267.65 6577.31 3484.38 2161.39 4423.89 5953.8 3378.57 3100.4 2090.97 2091.72 2311.95 1632.47 3529.17 1268.03 1916.6 4727.63 6085.43 1915.95 3506.71 4774.23 4734.72 3236.61 1569.03 1809.64 1413.57 3406.11 3360.32 2364.92 3111.44 2758.24 3256.99 3316.25 3309.37 3077.43 Elagolix sodium 5165.58 6399.57 2419.69 1995.99 5124.83 5096.86 5514.65 2635.01 2905.79 15285.09 8377.07 2884.18 2476.38 6009.37 8412.62 5773.36 5950.6 2589.37 5721.46 4599.09 6354.6 4285.94 3166.35 4724.22 5708.25 6535.04 3392.77 7932.86 3264.94 7655.3 5882.89 2808.44 9094.55 1822.16 3607.29 9039.69 7104.27 1722.27 4715.18 8372.41 7355.71 8140.19 6041.02 6805.25 3054.6 5185.86 4699.29 4644.57 6966.9 3431.49 6104.85 7483.47 3697.41 6405.41 9550.63 6963.32 1950.25 2462.47 4721.65 2817.32 6834.47 4878.32 6635.34 3430.44 5074.57 6390.12 3818.2 7344.49 7555.28 6040.92 5212.61 5790.92 3556.9 2871.34 5525.75 6526.61 5103.62 6640.09 6367.15 6642.07 6292.16 6303.35 6289.55 6377.7 11beta-Chloromethylestradiol 782.78 1904.49 1091.75 561.19 2298.46 2116.34 1434.65 537.82 755.92 1394.81 1038.76 785.35 414.14 631.91 1538.1 1017.28 443.34 1394.63 2172.67 1033.24 308.41 1906.84 971.01 284.25 562.27 430.3 292.5 310.92 1219.6 722.95 385.95 537.7 1035.76 495.2 339.55 777.16 375.22 612.05 625.01 445.02 1057.71 1297.27 618.07 608.15 794.03 462.58 1433.88 1339.87 1712.01 1557.43 541.89 1342.16 597.06 361.04 315.29 1633.91 624.49 341.92 399.15 1814.11 679.96 904.47 693.08 1008.48 1329.84 1130.79 546.71 509.27 425.13 776.81 1442.2 1869.52 497.47 1072.45 728.27 1534 1486.82 1485.07 1544.87 1546.59 1572.7 1543.62 1524.11 1478.81 Sultopride 453.78 603.55 1392.47 544.76 9744.67 2696.3 738.07 5876.3 4242.62 2133.23 1440.48 9739.67 2477.79 1880.79 591.14 1811.27 1296.57 1502.13 3418.15 1315.12 2245.46 541.1 610.35 1043.32 687.07 1564.15 850.44 818.8 509.68 932.16 914.51 743.26 742.49 470.6 1302.25 395.04 431.54 804.1 1295.75 403.41 1160.87 740.24 634.94 1912.14 2809.34 5536.85 3521.79 3546.58 1064.8 870.96 1609.71 2045.69 3708.88 543.11 960.56 1409.17 1321.57 1102.56 2013.83 1071.31 1953.89 770.37 1665.69 1403.67 1060.44 765.9 893.67 1510.05 1599.99 2434.72 1586.36 3465.86 1391.15 3906.16 1786.02 1833.13 1867.98 1868.62 1835.16 1737.48 1343.4 1740.3 1738.62 1753.84 LS-Tetrasaccharide b 2515.95 1847.07 5384.16 4311.85 1126.26 3413.82 3210.24 2817.26 943.83 4651.89 3471.48 848.17 2850.33 4606.65 2831.95 3098.87 546.32 830.43 2791.37 2429.03 2571.74 1414.17 1410.42 5044.95 1383.13 3477.1 1317.06 1045.02 2756.6 1269.28 1723.12 2505.82 660.73 965.12 1558.34 3086.66 1873.64 525.79 5380.52 1294.96 2594.4 2747.87 7192.47 2749.27 5686 3199.07 1647.05 2479.56 3433.81 2915.77 856.25 10624.56 6617.99 7535.7 7129.7 2408.95 2795.49 2602.16 1124.01 4166.98 3711.66 3842.8 4386.95 3109.7 1970.07 2437.51 5100.88 1264.11 4722.91 2395.19 3669.19 1985.01 3384.19 6323.21 3243.24 3087.08 3008.28 2791.75 2417.13 2704.02 2877.35 3567.64 3113.81 3223.17 N-propan-2-ylphenothiazine-10-carboxamide 1585.83 4830 2057.44 2489.77 4573.74 11569.19 4835.37 2377.79 3864.67 4725.8 3565.9 1193.18 6857.72 1155.52 3975.21 16812.59 6904.56 4988.52 15095.58 11152.8 1242.74 808.07 597.23 1868.93 3497.8 786.79 1605.72 1212.5 4203.02 2501.75 1093.02 4352.04 5031.89 2081.21 2089.24 1855.26 2534.84 948.38 1708.44 1756.13 6964.57 2091.83 1555.4 5171.85 4695.27 7891.42 20174.87 11058.11 2497.88 8345.92 4414.14 6203.51 728.06 5583.34 1647.41 4299.81 1803.33 4660.55 7320.55 990.17 6409.64 1964.7 4062.85 4400.98 6750.7 4966.47 7019.89 4522.84 4861.65 3989.37 7658.31 7698.9 2789.05 1753.35 3277.91 3928.77 3437 3193.3 3806.64 3188.07 3732.9 3430.33 3718.48 3768.85 4-Nitronaphthalene-1,8-dicarboxylic acid 960.06 2188.26 1490.32 1212.16 2665.67 4075.95 5173.72 3017.51 3244.85 1870.52 3472.02 2720.09 2502.17 3278.86 2056.7 4762.99 2734.5 2060.83 2691.1 2788.06 1530.77 1330.3 2032.43 1295.31 670.23 1032.92 561.88 1419.31 1405.08 1572.92 1661.39 2104.98 1307.85 644.43 1179.96 825.57 1030.34 1015.71 1969.31 895.11 1232.38 1882.24 2322.38 2391.6 1882.14 2475.28 4261.55 3528.52 1779.69 4285.51 1259.43 2926.97 2439.36 2138.2 1580.88 1355.99 1784.97 2254 3543.77 2106.14 1414.82 5119.95 1588.12 1353.68 2566.19 566.26 3412.49 4636.61 2003.07 921.98 3206.16 2801.92 3285.99 3513.2 1886.46 2771.29 2248.35 2238.17 2428.61 2538.09 2529.56 1655.26 2483.48 2512.14 4-Fluoro-3-phenoxybenzaldehyde 1923.67 314.66 249.22 139.72 3782.63 1315.53 402.63 3854.11 5664.36 1553.76 1624.47 778.29 1223.03 1392.37 3873.71 1889.11 203.08 6662.16 1260.95 76119.45 1328.01 665.97 1350.2 973.1 568.06 124.73 901.53 1261.47 333.37 2351.34 3997.02 432.9 430.88 746.36 248.74 127.91 476.33 275.12 447.04 187.57 5434.24 312.76 1286.02 292.04 1857.67 2460.2 820.12 501.8 335.14 1072.5 1164.31 3229.42 1352.3 680.14 456.73 2810.55 135.17 234.99 2789.52 336.53 1209.13 247.23 1477.39 209.18 259.74 690.76 1445.08 253.64 508.78 3513.96 16954.84 2023 253.19 328.29 541.95 5162.67 5186.98 5084.51 5159.25 5158.63 5066.82 5115.11 5022.5 5082.47 (1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one 4793.97 8092.96 3485.09 3633.15 10376.46 6279.29 10068.67 15211.84 9202.88 5741 7631.33 7980.98 2262.01 5555.96 9772.97 7141.14 5829.54 14482.77 8677.78 9592.23 9552.65 11155.1 6439.67 4498.1 7788.58 8392.63 3058.8 3041.66 10692.14 1847.18 9595.95 8308.56 13431.08 6199.77 3953.46 8800.76 9537.81 6048.51 5605.81 2842.44 19755.87 11644.4 4295.34 4762.26 12620.94 7678.06 10374.7 10182.53 4844.95 9557.33 7651.88 6974.32 6097.67 6882.4 5079.54 9961.2 4470.42 7243.77 9168.34 8632.07 6420.29 5002.19 7853.21 4765.22 6728.83 7061.66 12368.67 6634.02 3808.6 6729.71 11392.49 7630.49 5861.71 3932.08 3718.42 6036.49 5663.1 5804.66 6189.28 6179.66 2190.56 5790.34 6234.21 6164.38 4-(4-Fluorophenoxy)aniline 3466.23 2076.33 896 4961.81 566.69 3629.93 5157.5 8774.27 6960.57 6447.86 3845.47 10814 3651.83 3922.16 6467.66 7431.28 2282.65 10562.89 9117.34 13915.32 2100.52 2233.02 1067.58 1405.75 3363.26 2585.38 1427.88 1995.05 4218.43 4364.92 2936.7 5589.34 991.56 548.95 2157.44 4494.32 3580.2 1310.67 2598.58 1604.25 1223.87 5456.24 1299.6 4969.55 9158.8 4259.93 7847.62 6328.07 799.44 7418.14 618.26 3910.96 3862.54 5130.34 5542.12 2905.19 1715.09 1890.67 1785.02 2026.23 4401.08 1118.54 2827.31 3285.27 4123.27 3716.15 9991.19 6537.75 7914.43 3892.26 6127.64 3161.4 5417.27 4037.96 2885.97 4072.82 3822.8 4690.27 3614.98 4407.68 4405.37 4411.4 4363.55 3714.23 4-Fluorobenzanilide 8527.08 7478.2 7775.78 7546.01 10971.93 12795.89 12391.21 11183.89 16104.03 8182 11155.43 14823.18 14503.96 11008.86 8733.15 10945.14 11041.1 12382.07 12713.34 10604.83 5827.65 1333.71 8779.52 8537.81 7626.78 3937.73 5170.09 6662.87 8891.76 8098.42 4954.91 13163.7 4210.13 9536.84 7501.97 7912.4 4766.61 1450.87 8221.64 5610.7 16716.92 10246.63 11067.4 14141.5 14359.11 13816.69 11170.54 14637.05 8957.26 16883.51 7756.15 6868.35 10999.5 11128.5 7961.81 8467.5 14804.19 12066.49 9302.57 8062.85 6931.72 8468.93 8438 9594.61 11737.28 10463.37 12085.08 9472.9 11414.72 3930.5 8834.15 8819.84 7830.17 10302.8 14552.59 8061.6 7992.54 8491.68 7990.06 8225.13 8487.07 8018.99 8453.96 8587.73 Mactraxanthin 3628.09 3461.46 394.92 2944.21 2193.49 7842.69 2997.59 912.82 2242.03 750.11 1453.96 4450.46 6118.1 5395.43 4252.38 5544.99 2287.51 5451.86 4305.67 7296.27 258.58 648.42 627.35 1078.38 729.56 860.09 470.69 754.98 2359.89 954.97 2780.46 4266.48 1595.84 808.05 1064.99 566.29 805.37 603.19 483.41 507.51 4341.17 5299.05 970.99 2095.46 8870.61 6554.63 5184.96 776.8 741.51 12716.33 4902.45 4841.03 2476.38 2861.94 1862.22 2774.24 1169.22 1118.82 1040.9 655.87 971.74 735.27 3435.34 632.1 1982.62 4661.93 14345.97 897.27 1776.08 345.53 1627.38 1345.03 651.96 2987.29 4610.22 4416.49 4334.71 5262.72 4648.16 4592.51 4436.95 4595.83 4290.92 4453.49 N-(2-Amino-benzothiazol-6-yl)-acetamide 1309.08 1576.08 1193.07 2356.06 6613.9 7015.04 5197.71 2797.44 6844.07 2606.22 2411.72 4259 5796.85 2453.46 1788.3 5233.07 2743.63 7135.09 3628.27 1282.45 1174.73 2661.13 1167.54 846.35 813.64 867.21 904.96 621.7 2222.39 1009.93 551.34 2025.15 677.15 369.49 819.08 1143.32 890.35 679.33 1735.83 626.43 3071.94 2111.75 1954.58 1651.98 3407.16 5468.62 1962.2 2415.78 618.65 2693.43 1164.9 2099.65 1821.25 3932.66 2777.79 2386.07 1731.22 786.38 7116.13 5565.85 1590.83 1348.63 2336.72 3503.85 2894.08 4186.22 3594.27 2474.85 2912.39 3514.26 3909.85 2063.46 2801.86 5046.73 3920.24 3667.91 3554.85 3750.13 3923.27 3553.05 3556.98 3730.63 3533.5 3354.75 2-Naphthalenol 2-aminobenzoate 10617.93 7361.74 4128.51 6051.2 14416.14 9209.69 9728.2 11196.21 14553.1 8640.43 8934.23 10116.11 7537.93 6690.68 11338.35 9680.5 5378.52 14285.92 10969.63 12646.39 7038.54 6487.07 4580 4314.75 6525.54 3140.41 3754.4 4686.5 6159.75 3681.77 4702.22 6112.4 5398.33 4406.31 4048.15 6397.09 7391.74 2416.91 5234.41 2982.06 7998.69 12270.6 5940.12 5916.65 11933.05 10113.13 14336.45 10721.15 4317.49 9803.7 7497.16 9194.74 6617 7161.25 7610.24 7216.65 1710.38 4162.29 12662.09 6712.58 5378.87 4560.56 10299.69 4236.44 6647.6 11702.35 12793.12 6963.66 6643.08 12043.54 7577.42 7662.91 8504.47 7307.2 7765.46 8897.37 9026.7 9153.83 9110.74 9096.48 9147.75 9057.7 8736.71 9279.96 8-Aniline-1-naphthalenesulfonic acid 2089.33 2074.78 1121.1 2600.28 3257.3 3835.64 2747.09 3016.61 5489.69 688 1283.39 1226.38 890.38 1368.1 3473.72 3618.48 2068.92 4133.39 1286.69 6772.68 557.28 2429.3 626.93 856.37 4358.12 682.77 627.16 804.38 1253.88 1344.11 3555.08 2144.91 2049.41 1242.97 1295.55 1417.67 5669.12 3897.3 913.48 686.57 5275.02 1401.7 633.91 1884.16 4031.69 799.32 1457.51 1876.53 1066.3 1869.39 1125.52 2715.94 819.18 821 2314.21 3331.96 1144.69 1467.9 3884.81 1525.65 741.32 656.99 1600.29 794.35 6660.09 898.99 5814.65 1057.12 2277.7 2929.41 3388.14 1549.95 1718.99 1899.19 703.53 2056.1 2548.65 2248.32 2164.42 2077.15 2221.83 2270.04 2264.31 1212 Pseudolaric acid B 1352.3 2284.6 1368.97 1371.05 3350.61 2087.39 2998.46 3034.68 3971.69 2260.32 955.42 2918.39 1426.1 1366.81 2475.21 1684.35 1814.55 1496.34 1622.75 2870.99 1670.89 4332.24 1168.31 1165.31 2014.28 2167.25 650.89 956.48 5037.76 957.13 1009.46 401.04 1359.48 2230.11 1104.69 1992.82 1104.14 886.19 603.42 1452.9 1157.11 1345.44 1441.3 1091.12 2012.12 2948.49 2043.66 1297.1 643.28 967.34 1381.26 1609.74 574.57 1020.61 895.22 2028.73 972.46 1607.23 2623.46 1174.03 1442.3 2754.15 1592.65 458.22 2745.46 604.01 1742.29 1281.13 1628.35 2716.78 3032.1 3011.52 3066.27 921.52 3735.31 1901.29 1869.79 2296.22 1904.43 1095.65 2015.95 2060.25 2268.08 2063.49 3-[(E)-Phenyldiazenyl]biphenyl-4-ol 7155.53 588.64 1161.78 1528.04 7850.91 2676.11 528.72 12215.17 986.21 3208.14 789.19 6083.24 2943.13 2299.65 3575.13 527.05 4818.47 5976.39 5442.72 696.71 4721.11 2515.21 2852.25 2778.16 4106.08 1168.52 1027.44 6015.26 6691.79 6344.28 10610.1 3510.44 1300.63 2792.87 1026.66 6532.73 3413.7 1086.06 736.75 3657.88 9329.52 10693.21 4799.65 2486.01 7136.65 2431.64 3273.96 1359.92 1060.14 5896.18 7284.79 6481.12 2069.45 1062.06 6084.82 5631.83 2157.57 998.18 1183.81 2116.78 2217.54 2241.35 2543.73 2543.53 2504.33 7755.22 2967.46 6892.6 4535.88 6327.03 942.27 1066.63 4798.99 1592.95 3347.58 3175.52 2960.86 2931.72 3001.33 1284.51 3083.51 2647.82 2838.26 3136.84 2-Hydroxy-3-methoxystrychnine 995.21 907.59 347.55 924.28 1141.55 1715.16 1205.68 1293.93 956.86 786.91 602.41 1385.72 2366.96 585.77 1586.74 1071.54 377.79 1382.77 985.81 1430.66 656.41 1331.53 599.54 343.86 1311.93 437.07 565.9 424.87 474.01 678.81 603.67 952.85 457.9 1168.97 731.29 1098.01 514.56 593.13 675.76 467.16 2327.07 1629.23 723.92 717.13 1824.3 322.06 1699.45 1614.36 430.09 867.07 868.58 790.34 1127.66 503.4 678.35 875.42 738.36 851.31 1171.92 422.81 646.69 2206.36 949.98 1031.47 685.89 744.69 619.62 696.97 1096.26 619.33 381.57 717.49 736.56 1672.08 1074.24 1364.74 1355.58 875.34 1270.12 1364.54 1232.82 1586.34 1367.51 1313.33 3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol 969.62 795.04 1197.89 1980.68 1949.57 1005.93 962.04 2614.26 764.03 1515.42 3376.85 768.94 1899.06 1156.96 2672.1 3454.39 610.18 2756.81 1938.99 832.69 1909.09 1129.78 1618.53 1777.57 1789.85 745.19 874.56 1535.48 1404.04 1735.58 1072.09 3633.81 982.18 1722.81 1294.83 1283.94 1881.67 801.68 1609.9 559.08 2509.83 1659.76 947.49 1262.95 3263.1 1219.71 2545.33 2295.98 1935.56 1863.74 1371.38 1173.97 1470.71 877.64 3481.18 1823.08 1417.95 1660.76 4571.21 3893.4 2961.63 1562.86 2774.43 3203.08 1755.23 929.23 1681.11 2817.31 2920.03 3237.59 1964.24 1094.32 3167.35 4303.53 1099 2388.43 2392.2 1378.71 2668.47 2624.63 2587.82 2581.65 2388.68 2261.17 4-Ethoxy-6-fluorocoumarin 2446.18 6426.5 15402.4 5144.92 3459.9 5769.66 2576.88 5531.86 7746.85 3793.42 8865.21 2846.28 1978.85 4425.33 3267.26 12474.23 16387.73 6082.03 2036.48 2355.17 992.6 701.35 3607.96 4607.86 5993.35 5801.76 4512.79 3878.75 3054.81 496.65 1988.29 2508.79 2277.91 3882.54 5372.59 3309.39 7083.9 1119.92 4329.25 7590.06 2776.04 554.39 9068.53 5891.67 5046.59 5679.85 3848.82 1817.24 2942.55 4023.36 4621.7 5723.94 7820.57 8088.66 5275.7 9056.54 22908.83 19679.32 3327.5 6705.66 12225.09 4334.06 9856.28 12648.48 7434.69 6745.09 10932.96 5728.55 6337.89 7088.34 6618.24 6528.48 11311.33 11903.6 6984.51 6896.95 6838.95 6761.85 6838.92 6817.63 6761.79 6759.51 6672.52 6836.28 4-(Difluoromethoxy)aniline 2792.71 2868.82 4976.14 4876.91 6384.68 6499.79 6207.61 5471.45 5088.96 3809.02 4102.22 2011.12 4109.06 2722.59 3860.69 4036.76 3517.63 4131.48 4310.5 4010.09 4340.24 6928.32 6870.71 2865.48 2600 2743.3 2943.9 2506.53 4919.99 2192.41 3477.69 4864.64 2774.59 17116.09 2848.08 3668.66 2044.85 473.97 5203.84 2769.33 4338.65 6860.9 3982.56 2861.86 3505.08 6471.72 5242.31 5208.73 4218.96 6298.98 3546.36 4490.94 3554.32 4240.18 3185.14 5137.44 3032.69 2636.63 4463.99 4406.03 6795.88 13410.79 2302.87 3695.97 4277.09 4480.28 4879.6 2870.89 3034.33 3982.63 4244.15 7767.9 4264.59 6336.73 5633.47 5188.13 5251.81 5404.75 5203.75 5281.42 5198.56 5285.34 5239.72 5287.07 Propan-2-yl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 1010.15 1283.24 2927.96 3132.1 1598.5 3090.68 2091.31 1859.15 2055.96 1374.33 1048.29 2385.42 2993.17 1880.13 1337.31 1663.37 1486.66 2245.31 2234.52 3634.04 2511.67 6313.55 1788.43 2253.85 4430.72 699.94 2446.42 2833.93 754.87 2318.95 5059.16 2032.15 4149.97 1289.8 2233.68 2670.22 1089.81 3480.34 1142.36 696.62 884.59 1730.56 1117 953.52 1594.89 2342 2005.3 3326.53 856.33 922.36 2866.9 3484.52 2215.44 2084.98 1717.32 981.04 2217.14 2934.69 1915.92 1198.53 893.46 1701.41 1201.7 1797.6 1206.54 1855.08 1252.76 2321.03 3217.52 706.45 2749.68 1658.45 967.81 1533.23 1957.8 1593.48 1737.71 1609.55 1637.35 1632.38 1557.75 1816.18 1715.82 1633.23 Etocarlide 10008.67 9259.44 3088.31 3991.24 3054.66 10438.77 3271.76 13903.54 11837.64 8498.99 7351.27 11179.17 9506.27 7463.57 10013.35 8667.51 6781.41 9370.97 11393.29 10364.39 5274.45 1750.21 3988.29 3986.62 6534.26 5247.08 2392.54 3016.97 7566.89 2350.76 7204.55 4437.94 4427.39 3704.82 1645.7 4206.67 6603.23 2257.83 5756.01 2426.14 10252.77 6616.05 7717.23 7003.39 10308.63 11275.77 13525.24 9199.35 3976.42 11240.58 5639.29 8906.19 7036.73 7820.99 3868.01 8482.58 1501.13 3973.8 11317.64 6693.38 5553.2 3348.21 9767.92 3723.43 7198.8 8947.33 8118.26 6605.91 5264.41 10218.64 8106.71 7320.12 8668.42 5428.76 6385 7738.65 7400.58 6902.8 7918.85 7768.07 7763.88 7357.76 7304.64 7749.38 Disperse Red 17 846.55 768.25 1004.85 1257.23 1034.65 1204.86 485.9 1581.43 1022.03 713.42 615.12 1414.67 1007.23 441.47 1929.64 1732.79 1767.45 2036.61 1602.71 1383 1469.65 1196.68 608.24 516.59 668.01 338.59 816.27 356.18 383.37 373.29 511.53 1805.83 1451.88 334.44 422.43 698.68 530.14 604.83 790.01 628.2 520.77 1438.73 882.74 987.73 1330.29 1372.42 906.96 428.16 448.86 2517.3 971.48 328.37 1399.17 926.01 610.12 1241.49 1018.02 804.36 1073.56 822.45 694.51 875.5 735.54 899.75 380.55 1015.18 2706.55 1603.51 542.41 676.4 683.14 1090.59 847.73 1599.34 364.43 738.49 1465.08 1365.54 1448.6 1477.4 1227.21 1459.55 1349.25 1373.73 Neomycin 1102.03 1685.46 1068.25 763.6 2125.43 1338.3 2585.97 2376.66 3002.95 2931.02 3314.66 1925.35 2132.3 1866.7 2667.33 2982.73 2765.48 2409.78 5973.06 2713.39 2187.96 1898.44 2892.71 1846.44 1800.69 1520.91 1294.02 2535.77 1553.6 1944.07 933.73 745.8 1426.2 2622.27 2653.61 2867.12 1126.92 560.52 1428.96 1753.11 1111.43 1666.35 1845.24 1918.16 1983.25 6160.35 1177.32 924.39 2122.83 1792.05 1134.45 1249.89 850.57 1677.74 1135.17 1257.68 434.74 2782.26 3345.81 1960.89 599.55 1227.7 2565.33 1068.93 1504.56 3790.71 4789.98 2582.23 2238.89 880.76 1112.63 874.15 2141.72 3282.2 2387.33 2196.99 2529.54 2172.35 2250.4 2090.1 2107.39 2352.74 2344.14 2387.35 3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid 3747.52 4067.25 3341.82 3214.56 3456.6 4509.12 4171.97 502.83 3671.49 4471.09 5072.7 3566.27 5194.87 13865.36 13630.1 3794.72 3040.77 4634.56 3615.29 15131.35 13210.92 4079 13199.53 4636.46 4856.63 6268.12 3180.57 3719.49 4014.21 5018.41 4363.95 5428.11 3755.02 12652.59 4730.14 4095.39 4408.29 4579.48 3003.82 4480.16 4952.2 1404.85 3801.89 3500.42 2883.51 4758.76 5580.46 3897.08 4434.42 3441.16 2112.06 3986.78 1140.34 3106.44 4917.11 4435.47 2468.71 4677.11 4581.84 4830.14 2202.55 3370.32 1426.91 4875.85 1923.87 3362.61 1580.76 4092.63 4001.44 4480.23 4014.78 3463.59 4233.42 4996.61 4348.83 4624.18 4410.73 4085.03 4101.67 4098.85 2280.11 4096.61 4075.96 5588.57 2(1H)-Pyrimidinethione, tetrahydro-1-methyl- 5887.93 6223.13 3729.09 7177.28 11888.08 20360.58 9833.54 17043.71 11532.89 6344.29 10864.76 10049.55 10061.2 6599.72 12060.41 14457.28 9483.6 13079.61 12568.14 20282.04 5399.6 6129.49 3483.76 3537.47 3815.33 4460.81 2543.73 3796.2 6000.98 3354.7 4539.97 8233.07 4498.48 3419.44 4443.07 3509.56 5819.68 1910.14 4888.19 3707.44 12571.42 8945.06 6406.73 6462.69 10903.65 9070.74 12686.63 9238.46 3858.69 13999.35 5460.3 8070.41 6624.78 10699.08 7398.47 7820.13 5353.95 6658.3 10648.77 13406.68 6546.17 6106.94 7376.33 9306.7 10465.11 8884.13 12965.53 6155.32 8301.43 9957.94 9831.87 9350.16 10781.22 11310.99 11360.53 13186.69 13320.81 13187.01 13299.15 13189.2 13536.48 13262.85 12929.29 13303.73 Abacavir carboxylate 2259.32 1087.46 1275.96 3919.02 6565.8 2992.07 4499.62 8882.53 6881.55 2820.65 1866.5 7356.92 6497.33 3571.66 8724.67 6746.22 3247.57 8821.84 11281.65 10272.83 771.97 1551.47 1754.54 1408.43 628.01 609.58 524.56 1614.65 997.64 1006 1621.9 1557.04 1132.8 1479.85 866.08 2182.96 1861.54 1212.9 734.76 1368.29 3327.57 2199.42 1111.13 2059.04 6171.92 3015.9 5788.26 4420.86 1220.79 5118.53 1491.6 1712.83 1890.41 2766.64 3449.06 3279.37 1329.13 1769.3 4116.71 3982.42 2712.79 2581.35 2481.32 3889.76 3441.2 9727.12 4381.58 5444.03 4072.25 6985.11 5108.37 6644.08 2687.55 3687.28 4442.1 4583.83 4516 4352.01 4524.77 4510.91 4513.99 4929.98 4220.7 4239.38 Nopalinic acid 1515.05 1461.92 747.73 787.98 2236.35 816.2 843.32 816.53 1974.83 984.01 1404.9 1956.83 706.38 536.43 1570.35 1112.94 702.2 1336.93 1124.32 2795.04 1660.04 1235.96 1284.98 1187.41 3094.2 1224.41 411.61 1307.06 977.58 857.57 1278.71 2335.91 599.79 815.93 1004.34 1277.6 2399.44 649.85 1135.49 1003.61 2531.06 2788.26 1050.15 766.48 2087.56 1398.47 1932.83 1417.78 902.85 694.4 1814.56 797.6 1427.76 634.52 419.52 3019.35 407.68 544.4 683.62 437.13 1289.39 662.76 1554.61 804.83 707.42 976.35 1635.7 862.55 780.06 1133.89 1836.49 1208.06 965.82 1432.48 1539.37 1528.76 1030.56 1525.41 1540.97 1525.37 1508.86 1535.27 1448.21 1443.29 Lys-Arg-Thr-Leu-Arg-Arg 4443.07 5170.68 5384.98 5086.78 2177.09 5037.46 2543.36 4938.18 5097.64 2693.45 4511.46 2359.82 1771.99 4577.15 4382.71 4014.73 1656.23 4946.53 8619.67 2088.5 4555.62 4228.85 1500.47 2572.02 4844.43 1826.9 1364.58 2213.77 2301.87 2334.45 5270.41 4292.22 1435.25 2986.91 2756.82 3511.63 2006.93 1797.56 2527.11 1288.46 6283.18 3716.24 3446.2 5211.38 1988.26 2273.03 4393.27 4690.57 4197.78 5126.32 2156.65 5703.9 3907.92 5267.74 4599.86 5662.08 3846.73 3132.59 750.11 2146.05 691.77 3296.8 1379.74 2380.35 1247.01 6508.02 1579.02 3709.61 4629.66 2313.7 4954.31 5293.97 1861.32 4423.28 2403.54 3598.97 3574.82 3609.92 3365.46 3420.5 3151.61 3627.51 3430.5 3673.25 4-(Methylsulfinyl)phenol 5796.79 7181.78 17933.44 22754.37 10687.86 39443.13 40756.41 10424.82 12279.3 58195.56 30171.31 22367.2 7198.3 7787.6 10501.27 11074.33 6280.27 10404.96 15964.95 11511.6 1264.3 11230.14 24484.26 14402.87 1430.81 462.28 8476.1 10310.52 1518.34 1501.04 6955.96 3519.95 1327.64 13208.1 5244.79 408.64 1269.98 5976.01 39151.12 8177.58 4459.47 7038.28 7221.92 5994.13 10685.25 6602.64 9691.08 16626.65 3846.69 9506.83 2052.3 7433.09 7223.09 12368.41 5670.25 8591.32 18008.59 23049.13 8955.71 20650.15 34580.24 37527.56 6157.01 8265.77 24035.2 9994.88 10808.77 9715.27 8534.43 8903.65 8914.26 45247.21 32891.87 18832.52 5850.47 14701.9 14531.35 14703.63 14524.03 14701.28 14694.68 14196.38 14548.75 14531.82 1H-Indole-3-carboxylic acid,1-(5-fluoropentyl)- 2404.61 1805.72 665.91 1562.02 3346.76 946.77 1837.36 3494.19 3206.12 3076.46 1372.8 4025.31 2378.49 2312.87 1778.81 2745.2 528.39 2407.34 2159.87 2620.59 783.48 725.48 966.55 989.86 1258.5 862.81 645.95 361.25 2333.38 879.52 804.61 1051.45 683.32 541.78 694.75 1368.99 611.2 519.09 298.35 411.37 2706.19 2959.98 1440.89 1030.05 2700.93 1408.08 3293.66 2596.17 1100.17 1368.93 1315.61 859.37 1269.27 728.28 1419.69 1319.52 651.55 917.02 2204.32 384.41 1041.1 614.49 979.52 1328.14 1254.41 2924.68 1546.11 1577.02 717.38 1516.48 1948.19 2605.1 593.43 795.68 1864.23 2247.75 2424.07 2395.48 2395.44 2413.39 2510.71 2683.22 2398.76 2527.11 5-Bromo-4-heptylpyrimidine 6817.48 2780.14 2122.67 5899.21 9148.05 8405.65 9444.81 12588.81 6846.63 3990.71 6059.22 15015.34 13499.37 8017.33 7252.25 6417.43 4575.32 11251.41 12360.96 8524.89 3663.21 915.91 1220.86 2147.31 2616.12 1707.87 1466.82 540.87 5302.16 1686.26 578.78 6730.6 1745.76 573.38 722.78 1732.54 1974.75 1058.16 2633.99 842.44 5493.89 3639.66 3219.74 5078.07 7568.69 10170.98 10097.51 5425.77 4295.87 8918.13 3313.19 4299.07 4435.12 4243.18 1445.23 5070.7 1545.36 1535.75 4311.11 2976.16 3768.31 1420.29 5831.61 5527.53 9243.62 7404.31 7270.58 4691.07 3083.29 9020.5 10510.9 6524.88 5407.97 3751.72 7636.21 5743.77 5436.41 5755.62 5305.43 5913.8 5667.15 5576.39 3947.25 5380.2 9-Chloro-11beta-hydroxy-17-methyltestosterone 937.9 1673.97 1663.02 1936.74 4466.33 3246.1 2569.49 4323.55 4572.94 1563.62 4486.19 4883.09 5596.65 3475.16 2127.97 1250.82 2093.39 2428.16 2925.33 673.94 1712.21 6309.49 1945.94 1754.51 900.51 1010.74 969.84 1829.04 2454.66 1424.48 1150.3 2796.94 993.22 923.86 2361.9 1480.33 1185.06 612.57 1993.98 1337.81 3585.81 2214.71 1156.77 2622 2267.84 6032.75 4721.97 1036.32 1542.67 1160.15 854.09 910.67 7910.61 7424.77 2208.97 3022.61 2198.43 2032.26 633.1 3272.76 2183.93 3249.5 1468.96 12312.93 5184.56 4886.4 1612.35 3568.28 2465.98 602.85 795.22 2271.59 3689.3 7361.17 1055.56 1704.66 1808.28 1773.68 1625.07 1899.64 1764.06 1493.11 1564.16 1828.19 3-Mercapto-1-hexanol 8939.05 3622.9 667.91 1269.18 9049.22 4860.6 3228 11878.45 12479.87 6727.51 3215 6093.48 3052.03 3256.43 8250.17 4907.94 2212.65 8913.38 7003.44 13941.72 7060.58 1971.65 1498.04 1302.62 6473.4 3445.44 2501.27 3223.62 7596.97 4047.61 6975.8 8045.77 3894.18 1679.51 1043.61 5780.78 5805.63 754.78 4265.68 1652.5 9960.01 10724.34 1652.75 2359.09 10104.74 3166.3 11971.74 6890.18 4966.15 7415.27 6434.85 3606.74 1779.92 2170.35 7042.3 3834.99 550.23 437.88 8815.78 2073.97 1710.67 1653.73 4242.78 2499.83 4208.07 9094.58 6932.74 4672.37 4970.54 8869.64 10028.41 5191.72 6326.62 2662.27 2933.68 7159.89 7411.93 7213.3 7405.76 7323.92 7398.35 8129.11 7213.05 7399.31 2-(4,4-Difluorocyclohexyl)acetic acid 7712.68 2767.93 2675.52 3035.23 11176.03 6572.47 3451.62 5046.5 4685.97 437.98 5281.45 5568.81 3660.91 4642.11 1425.23 6985.88 2731.21 13482.8 4536.95 3732.77 2282.02 463.59 2002.69 1369.75 637.5 2190.21 1646.22 1396.41 6533.04 2720.5 852.23 3137.41 2660.28 780.93 1776.25 871.88 2833.41 765 5704.75 1399.92 5551.39 13271.93 2564.65 3048.11 7011.9 9728.59 6184.72 4768.98 1665.41 8195.63 4993.93 4594.11 6161.97 3907.5 3773.08 2240.91 535.15 1939.35 2638.96 5267.97 2262.69 3479.1 4080.7 2377.78 6498.67 5776.33 6188.61 3170.28 4832.16 1764.41 2027.87 4142.24 4820.82 5626.46 2323.92 4337.92 4368.61 3278.41 4283.94 4064.72 3956.91 4447.96 4053.43 4308.03 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt 10974.14 4469.45 6083.31 3664.31 9420.75 8097.81 4449.51 9151.18 4717.63 6030.2 3396.42 5329.02 8677.98 4325.1 12290.85 4560.15 2716.77 9719.2 9817.51 10140.92 2001.41 2186.62 7191.56 8589.67 8503.76 2772.89 3202.79 2884.34 4528.25 6144.23 3326.64 13629.26 4992.13 5211.18 3004.34 5796.03 3347.1 3310.29 6861.68 1468.52 13315.52 14158.43 4643.38 7502.69 9390.88 6946.41 15985.97 10889.09 9551.2 8387.41 6705.78 9288.78 2747.62 6097.98 3189.91 8695.62 11395.73 2135.84 3549.08 2616.76 3273.9 6383.68 10146.65 3440.98 3661.85 7834.04 7030 5715.76 6898.25 9709.71 3463.25 5303.81 2298.09 3333.86 6791.35 8484.2 8625.58 8345.82 6250.96 8558.3 7977.11 8418.23 8025.57 8613.98 Disperse Red 60 1096.61 2152.84 3735.81 3183.06 5363.11 2666.26 7220.19 7676.05 9273.19 1795 6403.37 4143.7 1627.36 3348.9 5343.14 550.77 745.33 952.3 2615.93 3119.7 4120.68 2106.09 4250.91 2343.73 3027.3 2098.88 2694.86 1723.03 988.54 6469.48 2283.34 6525.82 1553.81 2994.03 3588.27 1038.02 3045.52 1950.07 3144.67 1825.06 4941.75 3409.41 1808.2 4758.08 1318.95 4274.64 1387.72 1652.16 2013.06 1034.92 4072.41 3881.03 1311.66 3362.31 2406.76 8067.54 969.59 3899.75 7166.27 4776.46 988.33 1931.22 8113.77 2849.38 4281.69 3789.52 1097.66 1957.81 1494.61 3902.28 7112.19 2952.08 2179.88 3497.18 3433.66 3602.59 3410.91 3622.28 3672.69 3806.87 3274.03 3337.3 3622.2 1583.72 Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate 4390.55 4787.48 1426.55 4698.37 6625.06 11052.72 4725.44 7807.16 6437.48 4972.17 4931.88 5221.5 6531.68 4514 5674.85 5874.92 4499.36 8579.34 7043.56 8667.65 682.31 1703.61 1656.39 1312.41 1806.89 1241.24 841.72 1527.99 2275.91 570.69 1640.72 3226.83 1134.47 1120.48 1391.07 1555.27 1046.07 1021.24 1218.93 1216.73 5109.11 3825.97 2523.36 4081.03 8186.61 5097.46 6673.32 5136.45 2006.34 4511.96 2116.82 2792.72 2291.6 1231.03 4053.16 1983.95 1041.37 1242.7 5044.9 3922.76 3195.66 3270.46 1611.89 4345.85 4993.56 4764.49 6339.21 4922.32 4212.92 6528.97 3951.85 3217.71 2106.31 1809.16 3442.79 3317.15 3222.44 3312.55 3191.28 3528.45 3372.77 3484.14 3490.57 3535.76 4,4''-bis(N-feruloyl)serotonin 1239.45 954.88 566.46 731.07 1205.34 1165.44 771.69 793.38 1059.84 642.77 1563.99 338.12 972.2 438.84 899.87 410.84 786.78 1970.13 579.32 1898.09 626.74 501.89 323.97 1377.18 832.66 851.37 807.78 816.22 622.14 442.71 840.83 2250.28 916.79 980.5 1168.69 2417.74 1708.87 710.79 1671.6 455.91 5119.91 781.37 680.26 533.47 558.04 2892.21 552.08 1069.5 295.75 599.76 971.43 916.87 428.47 2790.52 513.18 943.16 373.94 605.05 1507.08 814.09 664.12 1021.79 371.06 2060.97 565.92 1002.96 438.93 662.5 1293.35 1610.42 2257.87 390.74 2032.47 667.52 402.11 1348.06 1044.82 1097.49 1458.17 965.72 1233.32 1349.02 1286.97 1170.65 3-Benzoyl-6-phenyl-pyran-2,4-dione 11040.99 3831.64 4645.46 667.9 11521.22 15141.7 6335.84 7708.37 16345.01 21019.13 1870.41 12697.52 6599.05 4615 8181.24 11416.97 4632.93 8202.81 12754.76 6175.17 898.84 2358.45 3564.91 1200.85 2975.73 9399.49 854.76 5408.2 5022.61 2122.16 2480.11 2132.53 3102.78 5678.73 1274.09 1158.09 9310.99 1121.62 3542.97 925.16 12363.44 2370.07 1457.42 4540.46 3935.88 4505.14 14327.2 4038.3 855.85 8934.16 7792.44 8630.56 9576.04 1164.76 7736.19 2421.13 1756.67 9657.43 3357.36 6333 5528.49 6657.95 4491.18 2716.08 11101.98 12713.94 7007.06 2357.75 2668.68 4777.55 7344.2 10245.57 4799.32 6608.75 6607.38 5526.96 5667.28 5270.41 5647.4 5511.54 5118.2 5337.37 4612.59 4465.39 Hydroxymethylbilane 1047.58 1607.69 2675.03 1270.23 1190.54 1162.15 1541.5 1631.42 990.84 1549.4 1302.37 458.39 1327.25 1492.17 973.99 815.94 960.7 459.5 1916.95 2665.63 911.22 948.52 369.79 1286.34 706.61 692.51 793.75 1336.67 1211.08 1041.79 610.85 987.26 687.04 892.2 642.3 1018.5 2218.84 1084.99 443.64 1504.58 2133.88 1672.75 1276.44 1071.54 2471.33 382.45 859.35 1197.1 949.25 812.76 1161.11 654.57 1207.58 2097.47 1666.08 515.49 1319.46 2911.27 433.35 1479.82 1792.41 1432.76 2922.68 2467.08 1374.98 473.57 926.2 913.64 1204.6 4237.08 858.76 456.62 3238.51 3053.24 1049.98 1726.66 1553.71 2102.46 1186.14 1489.36 1266.97 1925.47 1777.33 1649.75 Progabide 1300.69 3257.1 840.95 1124.05 2657.02 1258.57 612.39 482.27 1080.15 1532.28 1798.41 2794.89 1188.39 1265.53 2011.05 1616.45 3461.45 6026.48 6912.69 2772.18 1198.85 2918.27 3609.61 2662.86 3095.12 834.32 2854.74 1981.3 4207.02 1823.53 902.63 1915.86 1133.12 2721.81 1348.06 2713.94 3185.29 829.39 1465.12 929.57 1113.49 1019.71 1058.09 1517.74 1412.63 524.52 1208.97 561.3 1029.45 2570.65 676.21 2231.45 1764.07 1424.12 3609.54 3074.04 1894.97 2061.92 1278.37 1854.59 3598.42 1618.68 1051.05 650.6 1201.05 682.92 1074.6 1868.87 1369.66 1161.72 1613.24 3748.69 2017.25 3584.77 583.33 1603.68 1743.08 1716.67 1745.5 1644.49 1633.13 1816.55 1160.9 1756.63 tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)propanoate 2781.3 1579.47 3431.67 3674.24 1041.6 634.29 1125.57 564.77 1849.96 2200.46 758.41 1945.41 863.72 648.9 1864.03 2753.78 589.48 795.13 4405.1 1225.6 1242.88 1832.12 1146.37 1110.09 559.71 1372.36 1954.94 1083.31 415.14 964 1344.46 1626.59 963.72 1111.9 516.04 667.07 1418.22 2513.13 1288.76 1022.32 1321.94 2733.82 1591.21 1681.73 2049.78 1432.47 502.29 1608.14 2615.43 2195.11 1314.62 761.22 1503.61 2226.63 3059.1 1392.5 1612.71 839.36 2890.14 2864.46 2043.92 750.06 1450.8 2476.64 1984.35 2397.22 931.65 3590.08 2104.45 1203.22 943.44 1511.97 1457.04 1703.37 755.22 1604.75 1996.25 1540.08 1563.5 1795.73 1535.46 1666.5 1773.68 2022.3 Olmesartan 1069.39 2388.51 1366.31 628.94 1234.81 1112.88 1204.31 2052.41 746.59 1617.29 669.67 587.68 1090.21 1781.96 784.65 590.08 1936.81 1793.07 3046.33 1295.93 901.64 513.82 639.57 798.36 504.46 742.49 493.66 628.25 811.55 418.25 1382.59 1045.96 559.71 332.02 526.03 467.91 409.47 1015.6 830.87 693.98 612.52 996.97 662.34 783.32 671.6 863.95 841.93 1079.85 628 873.56 760.87 333.19 1888.27 1251.12 606.81 1310.46 542.53 932.94 1178.62 681.55 1731.88 884.19 1518.27 1554.53 1072.2 1002.16 788.03 1656.64 2613.57 1089.58 480.22 732.66 1527.84 1307.64 1006.46 1412.34 1555.01 1517.81 1607.38 1322.08 1592.7 671.72 1457.35 1570.29 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methylsulfanyl-butyric acid 4338.1 9015.05 2883.53 533.31 3323.85 7624.11 629.29 9278.78 7105.77 3898.6 3842.94 3442.99 3167.35 2727.13 1714.39 9483.34 1607.1 2611.79 4243.29 4609.42 11142.69 6434.25 2088.66 4178.12 1271.35 8141.11 1171.34 1471.83 3447.26 807.75 10752.54 2750.12 2232.75 2359.9 1223.85 7809.29 5352.04 2136.98 2327.69 2049.01 10373.63 5942.17 6937.33 1515.52 4736.54 1147.99 9934.86 4901.65 2676.64 2949.88 2985.88 4159.49 4036.27 5288.41 6395 8057.68 3824.56 2915.61 9132.85 6008.84 2232.96 812.48 4954.83 5432.38 1799.88 7998.1 14539.91 3652.1 697.9 7924.33 4512.36 4566.95 2499.3 3502.5 2230.14 3766.55 4420.84 3874.81 4333.67 5356.41 3969.23 4361.52 4085.81 2381 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione 4101.79 3656.32 2302.94 4138.37 7527.15 8006.7 5555.2 6443.68 6027.11 6105.33 4067.98 9835.86 6156.6 4659.02 4077 5847.94 2277.68 6522.74 5753.38 7234.66 2176.04 1700.87 3189.42 2677.52 3548.49 2719.15 1393.79 3548.9 2990.81 1368.52 1752.24 5741.21 2059.94 2927.19 1286.4 5762.78 2535.23 869.29 2158.45 3495.54 2833.7 3713.11 4591.66 4050.98 2435.28 7339.88 4469.75 3431.08 2968.34 5538.96 2793.76 4116 4189.63 3793.19 3977.76 3519.76 2830.83 2918.82 3970.51 3521.02 4464.89 3906.05 4973.58 3912.15 6758.11 7625.2 4031.4 4279.77 3753.39 4220.47 4024.7 6542.45 2608.12 7376.42 4352.68 4890 5178.93 4960.47 4808.29 4770.56 5098.55 5032.66 4255.17 4989.97 N-(6-methoxy-1,3-benzothiazol-2-yl)cyclobutanecarboxamide 2491.71 4530.64 1199.87 1206.41 1772.07 1717.43 1773.39 2355.02 4965.78 1611.32 1486.15 1937.98 1606.26 2007.4 2782.76 882.77 3076.02 3843.59 1825.32 6223.07 1503.83 996.55 1605.15 2963.39 4229.88 1523.24 817.16 1194.16 5976.71 2765.75 5719.07 6098.57 3712.69 2529.75 1912.72 5333.78 3616.17 599.04 1815.47 868.25 9309.02 2251.12 1655.47 2576.43 1504.69 3082.91 438.48 1500.8 3002.99 2833.47 7085.39 4761.29 3221.1 4252.5 631.28 2053.35 5506.95 527.58 5365.57 3509.29 1205.12 1085.08 1300.33 607.04 1008.47 2068.63 4716.08 2092.17 2376.79 2868.26 4279.49 1946.92 874.99 3511.02 3278.95 2839.15 2695.53 2700.67 2603.64 2296.17 2285.41 3417.92 2508.29 2242.59 N-[(4-methoxyphenyl)carbamothioyl]benzamide 10826.22 3417.96 17827.36 13928.63 12018.66 6736.41 24060.27 21851.15 15787.36 3067.54 13522.22 10846.87 2640.6 11491.82 28170.79 15794.9 15190.62 17742.31 5192.32 41109.14 11001.89 4040.35 5418.97 8904.13 16375.14 2851.8 2154.98 1290.11 10526.88 1555.12 1576.94 4737.7 19005.01 6603.28 14448.06 3934.7 12298.26 8199.24 17121.36 17135.82 11394.67 7484.37 17595.21 15401.39 11346.73 13144.53 14947.23 15123.45 5045.22 10453.18 10591.25 10102.27 18299.97 33403.82 20167.42 18429.6 27693.72 35997.87 23158.74 33381.67 23727.54 7731.73 19909.56 13353.06 12563.18 27424.89 6264.03 6530.91 20361.77 15054.68 18696.69 10152.27 10230.21 3502.41 11170.83 9593.79 8216.38 9649.07 9620.48 8411.28 9024.1 8920.76 8945.23 9865.8 2-[(3,4-Difluorophenyl)formamido]acetic acid 3710.29 1908.73 3500.08 4066.48 5162.3 6130.69 6061.44 6110.31 6247.24 6155.44 5821.08 3659.26 2305.92 2726.49 4275.47 5189.56 2048.27 6834.12 5029.36 2137.98 1219.47 1044.07 2942.21 1899.28 703.8 2338.86 1339.42 588.56 1036.69 1711.74 2139.17 3658.23 924.95 1050.68 820.19 1024.21 1284.65 882.41 4449.09 1436.19 4931.95 2920.75 3158.21 3024.69 6433.82 5810.09 7048.68 6017.96 1125.46 4226.71 2115.94 5289.56 2117 4050.91 2251.28 4169.96 3394.49 2065 5046.14 3680.54 4339.24 4922.43 4794.59 3382.31 6098.9 2521.2 7093.94 2387.67 4399.93 2762.42 6451.46 8029.34 6350.73 4884.39 5731.96 4383.1 5471.08 5667.72 5501.21 5517.9 5488.04 5310.61 5300.35 5295.01 1-(4-Fluorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea 2752.35 4590.65 2366.64 452.71 1167.29 1472.58 1380.96 2357.04 2149.44 1439.59 1339.82 1336.64 1461.38 1759.48 1623.92 1998.91 2582.82 667.44 2360.39 2395.59 4355.33 2040.06 2591.74 1870.99 2052.4 1648.9 3454.67 2378.35 5215.58 1772.28 4963.19 2185.41 4093.13 779.08 1476.45 3613.12 1069.71 3062.42 2610.42 1378.55 5047.35 1081.4 1763.02 1388.75 1357.1 828.46 1195.06 1466.44 3186.33 1214.78 3714.39 1586.76 1462.27 2673.22 1982.43 2674.97 2695.85 1493.82 588.42 3124.64 650.37 812.31 1309.15 2952.71 2109.93 1185.85 4632.69 1411.82 3707.55 1496.36 1908.04 1690.87 2566.49 1805.86 2012.62 2386.67 1854.84 2173.34 2206.04 1708.01 2077.1 1937.56 2733.69 1901.04 Methylmethionine sulfonium chloride 2006.09 1867.69 3205.3 4946.97 1636.05 7526.81 3636.65 5089.65 5274.69 3470.34 5354.42 8138.87 9162.66 3729.34 5152.72 6032.66 5037.69 7234.12 10381.83 3542.43 1194.25 1419.61 1464.94 1783.04 2181.63 830.71 512.31 763.92 2248.52 1200.84 956.02 2017 1190.47 592.88 2407.52 864.46 1046.88 1026.61 1896 1679.98 5004.7 3048.6 2244.74 3933.82 3894.6 3880.39 5912.59 5020.92 1100.9 7507.39 2165.36 2517.27 3940.12 1750.7 2465.71 3134.6 1563.03 3308.42 4599.01 1409.83 3793.66 4193.69 3795.61 4859.08 6280.58 3908.6 4456.76 4703.2 2071.23 5069.9 4921.15 4308.23 3752.75 6834.53 2177.76 4532.77 4584.05 4449.44 4207.65 4480.18 4210.54 4588.18 4223.28 4626.44 Hydralazine pyruvic acid hydrazone 4011.68 2329.35 6001.29 7550.76 5960.88 4286.35 10653.71 6651.15 5400.61 5618.9 3732.12 5853.17 5230.68 6560.52 8123.99 5069.67 5760.84 4226.36 4642.14 2886.52 3095.01 3778.13 2914.57 3926.91 5119.69 4445.49 2194.52 2627.51 9915.34 2698.11 1723.92 8915.04 4492.38 4194.26 3835.41 6700.64 2530.88 1671.05 4446.38 3230.83 1820.23 5182.98 7015.36 6994.35 4581.59 13341.4 3426.17 7993.75 4466.91 5453.4 6682.41 4677.99 4221.35 9312.07 4218.71 3506.99 3456.5 8520.87 5391.88 5707.54 5700.82 7070.73 7497.3 6460.45 6056.74 7776.02 1975.76 4987.93 4683.45 5997.21 9268.91 9664.74 3506.75 13138.71 7954.02 6186.88 6296.97 5610.28 5787.07 3739.47 6084.34 6280.99 6354.84 5949.32 Alkannin beta,beta-dimethylacrylate 2325.88 1348.84 626.46 1353.85 6408.39 2032.1 1746 1554.54 9423.59 4946.36 3283.71 5152.9 2662.1 1067.62 4187.23 1234.37 2101.88 5818.35 2206 2872.13 1653.84 1263.36 1641.95 2131.1 3586.3 1042.65 722.39 3726.85 1040.65 2095.96 2266.42 1933.48 2673.55 2763.98 1628.41 2110.53 2779.34 464.49 2120.12 4643.15 3063.79 3164.82 2803 653.95 3382.66 5260.02 7216.74 2266.68 2837.18 1892.05 3712.06 2298.98 7664.51 4715.2 981.01 3135.65 589.33 3817.79 3575.5 3296.23 1644.54 889.95 1171.78 16280.74 8537.43 2518.21 6445.49 642.91 2718.84 808.98 1579.26 2824.95 2592.3 11723.72 555.14 3589.14 3491.26 3535.63 3958.41 3496.13 3399.38 3169.96 3175.32 3395.46 Didemethylasterriquinone D 2534.99 4390.91 1386.28 3524 4448.76 6439.11 4883.1 2936.22 6154.35 2663.4 4671.72 2374.31 4061.37 3669.16 4030.83 1780.6 1430.64 4079.91 3123.5 10393.48 473.61 1512.43 977.22 441.56 1293.79 976.63 882.67 1023.22 426.06 1678.35 1644.39 2425.56 1764.97 1011.2 885.22 2854.73 1072.07 667.7 2099.54 746.97 4307.6 1917.42 2221.74 992.92 3545.07 3727.31 6300.81 4046.96 1322.2 5564.67 1908.67 3880.1 1778.01 1763.14 2951.75 1465.91 1157.64 3811.3 2343.7 3708.84 2315.58 1993.99 5175.16 2295.99 1071.3 4144.5 3672.16 3278.64 2149.08 2851.17 2384.29 2497.64 1056.72 2861.9 677.27 1816.3 2451.22 3043.03 2630.36 2848.21 2814.59 2955.65 2992.59 2927.03 Ancistrocladine 1579.43 3207.63 2107.08 11810.98 2907.39 695.98 2545.86 7602.35 2467.57 3309.99 3828.54 8938.93 13877.59 6488.88 14953.25 3449.3 7416.15 7854.69 26647.72 17702.13 7429.61 6514.05 2150.26 6593.48 6445.91 2458.06 834.57 1098.05 2743.41 7048.64 4791.98 1028.47 2195.75 3031.12 5246.47 2815.52 3520.68 1357.56 1853.39 2228.02 17401.88 14898.9 8311.11 1987.07 4231.03 4425.19 19569.9 5443.06 1785.85 2285.95 675.11 2709.54 520.43 7862.1 3492.17 11504.78 8645.26 10082.27 2733.52 6634.61 4571.4 604.42 5381.38 7839.74 6573.26 7731.06 6880.75 9021.05 11618.12 5619.78 2225.49 6724.53 1265.07 7955.17 4512.24 4288.04 4637.29 4991.87 2689.66 5066.24 4547.33 4877.84 4994.19 5070.76 2,4-Difluorobenzylamine 7821.57 5389.34 13218.93 9169.28 14531.2 10019.15 11064.16 8739.86 8526.75 8733.05 9048.99 15981.53 21192.73 8778.58 7667.44 11097.56 6384.33 13289.88 10982.37 5107.4 2615.71 1638.62 7996.09 8657.17 5788.58 3369.79 3003.25 5654.64 6208.2 1452.86 1341.17 4902.4 1619.68 10555.47 11388.56 5882.04 6088.68 3814.33 6552.05 7720.32 4226.2 8507.49 9205.64 7682.75 10271.5 10409.91 10359.8 9306.18 4554.04 10465.4 7128.84 7851.4 11797.6 13774.41 7183.72 9301.26 13667.89 12839.74 7224.65 5356.66 7229.87 12682.04 8656.72 10560.44 10342.9 11091.08 5942.38 8994.26 8672.87 6761.85 6016.75 8763.33 9937.6 15265.65 13760.48 10537.36 10536.76 10484.98 10459.89 10536.38 10738.53 10468.49 10411.42 10458.28 4,6-Difluoroindoline 1644.04 891.86 1001.4 1902.29 2112.02 2857.68 1882.26 1937.43 1127.49 679.61 2846.42 2733.89 2360.68 1412.21 2311.76 3009.87 1470.22 1502.33 3190.88 521.24 938.41 376.76 1062.27 1021.47 1017.12 1236.7 707.03 451.03 1354.95 1062.56 809.75 1168.93 731.53 936 721.27 932.28 718.86 512.28 1143.04 599.4 1878.53 2378.05 1901.56 2301.94 1359.31 1829.17 1827.21 2235.67 867.98 3052.32 1192.48 1757.72 2132.71 1674.18 745.44 910.25 724.02 2177.64 2037.72 1862.96 1453.38 1207.63 697.53 1799.39 2959.71 2253.73 1924.66 928.24 2420.44 2054.85 1765.04 1569.77 1997.74 2215.9 1573.55 2393.32 2188.08 1933.46 2306.06 2216.86 2203.05 2304.15 2184.57 2211.2 6-(Chloromethyl)-2-methylpyrimidin-4-ol 1678.85 591.26 1055.12 1274.26 1480.16 4180.48 3756.2 1171.06 582.49 5156.43 2239.41 2046.36 1247.33 1690.93 919.57 2576.75 828.98 2417.25 1867.2 506.8 1026.92 728.42 471.93 453.06 471.39 1170.22 809.35 849.89 2313.57 686.87 802.01 587.13 1125.81 884.29 863.45 1102.68 883.11 809.81 2953.17 1061.68 1719.09 1090.63 419.02 1508.62 634.12 1717.99 941.08 1417.67 1128.37 758.86 1155.83 843.52 670.78 761.52 491.08 595.29 1346.47 1352.45 1307.6 1927.17 1424.75 2963.2 700.96 1611.17 594.42 518.73 1628.35 656.72 819.53 1723.84 1424.73 3892.35 1550.74 1704.36 1561.71 1405.84 1442.31 1394.71 1381.91 1381.44 1567.9 1476.85 1456.32 1515.61 5-(4-Fluorophenyl)cyclohexane-1,3-dione 4361.93 3541.63 2020.45 3198.64 8561.69 9259.82 5168.51 7838.53 7931.14 5340.83 4353.64 12857.97 5274.86 3196.44 6182.08 6417.55 3455.28 7282.56 6487.01 4486.97 2283.96 2840.67 2544.08 2218.39 2311.8 1054.49 855.37 1784.27 3781.46 1235.98 2752.88 3485 1279.62 1727.66 1704.1 2266.87 2573.25 841.43 2944.47 665.74 3803.09 4367.54 3759.89 3290.11 7041.28 6143.66 7941.83 5199.33 2772.8 6861.47 1723.24 4673.59 3637.54 4191.68 2649.04 4291.75 644.54 2470.19 6366.86 3737.51 3476.5 4141.1 4752.98 2957.46 3971.39 6071.89 3724.61 4752.69 4260.06 4340.4 5454.58 5319 6159.23 1851.61 4864.48 5506.95 5891.08 5895.55 6029.15 5995.66 5990.68 5992.67 5891.67 5894.5 Guaiacyl phenylacetate 2394.69 1349.06 2912.05 3698.53 1289.81 1616.84 2082.56 3111.13 1637.07 2043.17 1805.62 3359 2994.72 861.12 1496.43 4124.14 4002.91 1930.71 4920.99 2423.22 1764.8 3156.86 2767.47 2674 1464.78 3475.33 1698.17 1295.17 1359.17 2188.93 1551.2 704.37 2813.91 2681.52 2489.23 1796.37 1892.56 786.77 1181.51 1427.26 2002.85 1492.07 5382.02 5131.39 779.52 3845.6 1398.24 2348.68 1660.86 1463.33 1648.12 956.36 1376.32 3561.01 935.48 4782.48 6175.24 4478.42 1683.79 4268.07 4384.31 6226.34 1099.26 4476.19 3333.7 1592.76 2474.95 3833.68 5211.21 1884.67 1337.62 2484 2402.51 5704.83 4670.6 1882.19 1583.06 1384.08 1828.34 1656.68 1316.07 1931.86 1895.67 1774.45 Buclizine 2235.88 3680.06 2236.38 4219.18 322.21 1201.15 3664.71 3456.11 1948.34 3172.46 1645.15 1238.87 5521.84 2689.75 1708.37 3083.93 4526.67 3698.62 6428.89 4301.09 1313.99 1269.42 616.26 533.76 1072.98 1260.97 609.67 954.63 1667.54 787.47 1652.08 1805.99 1859.17 1372 1407.81 982.57 764.36 911.81 2444.1 1988.31 3714.5 2734.63 2919.56 2781.9 5634.11 1840.75 5618.61 3460.39 910.59 4451.85 1720.65 933.48 3156.61 2874.55 2098.92 2574.73 398.43 4014.43 4391.01 2798.02 3248.5 3591.77 1791.89 2850.15 4374.24 1877.89 3827 4494.79 4352.57 913.81 2758.64 4443.65 3708.02 3894.24 3514.28 4102.95 4352.67 4382.99 4552.82 4524.32 4491.48 4623.15 4084.34 4375.55 Tocopheronic acid 1880.91 1600.65 7020.87 7649.35 6329.81 12770.05 5639.87 5164.2 2483.16 2507.82 3587.31 3378.75 889.15 1207.43 1534.99 2832.7 7862.27 3098.21 4533.56 11180.82 1016.48 2245.2 1398.33 1828.88 653.21 1528.3 979.31 935.02 1350.44 1191.96 1148.39 2000.29 2780.2 8295.7 3320.69 1492.47 1381.4 710.83 2576.33 2165.98 1437.15 2180.34 2857.52 3017.59 1842.28 2589.35 1875.98 1321.6 1707.89 365.26 856.97 988.75 3724.68 4395.95 4652.46 1773.71 8064.16 9869.82 4242.8 13922.16 5041.94 2511.81 3005.3 4689.89 3703.93 1500.86 3239.61 1289.31 2275.41 2329 6211.14 3969.41 4931.57 8256.23 4726.96 3607.18 4308.59 4596.94 4468.74 4432.38 4345.75 4828.45 4373.51 4643.31 Chebulinic acid 1818.15 1456.95 3203.88 5064.11 2277.14 1243.08 1260.08 1801.09 1808.22 2508.67 1336.7 5438.41 3181.78 1651.92 3298.73 795.82 1678.75 3623.29 2530.33 4395.92 2588.59 1027.97 5537.52 1422.32 5855.4 1746.59 3303.92 860.86 1963.22 10379.68 916.33 1974.47 857.22 1743.4 1257.66 2928.65 1673.25 2001.32 4221.35 4533.03 3481.4 1684.7 3035.95 1301.31 3656.72 1239.01 1221.04 4437.36 1720.49 1425.36 1347.31 1527.97 1993.95 960.18 4384.97 633.4 3426.87 5993.71 1689.78 3196.3 3169.75 3238.57 4905.89 1490.71 603.36 1873.08 3034.11 3235.1 1892.01 1174.06 574.12 2735.85 1581.6 1023.61 4167.64 1747.18 2725.56 2542.15 3118.77 2702.11 2793.98 2462.47 2728.71 2686.46 Pancratistatin 2295.89 2649.31 768.76 1515.25 1877.95 1603.75 889.21 4816.83 5367.4 4426.67 1675.84 2551.43 2024.95 2580.68 3941.75 5781.39 4121.33 2427.29 4914.43 4098.42 2032.32 1422.15 915.96 1224.5 559.21 1494.31 913.53 1058.45 2612.51 883.09 1465.93 582.29 4232.53 943.47 1017.58 447.52 1569.47 886.7 1027.47 875.42 1799.02 2554.83 2981.94 1986.61 2207.07 2131.85 4120.86 2334.78 567.47 6879.04 1062.24 4187.5 1026.75 619.48 1870.73 1614.22 769.16 976.42 1506.91 867.78 901.35 1354.22 3380.07 3430.19 1542.5 5801.47 7373.15 2642.63 3524.84 2784.31 5302.31 2768.14 1285.66 1666.4 1036.12 2128.9 1980.37 2896.53 2120.52 2130.22 1850.1 1859.29 1671.83 2463.94 5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amine 3992.2 4747.33 4341.58 5541.11 5622.54 7546.1 8447.31 3969.3 4311.97 2758.89 6824.74 5223.63 5145.37 8342.23 6355.94 10319.46 8921.04 4938.8 4705.8 5261.11 2738.64 2695.78 3719.74 5980.84 2557.68 1905.23 3312.23 1747.32 3052.27 3488.63 1085.5 2490.74 1722.31 2139.7 5242.26 3141.58 4214.18 2637.52 6053.13 3610.87 3211.96 3778.22 7346.43 9355.6 4360.51 5204.18 4742.99 7948.84 2708.31 6330.71 2432.53 3660.56 5651.42 4956.8 3675.59 6369.66 6881.15 6823.04 3770.85 6809.98 9098.27 8566.35 6488.09 7100.39 8256.06 4430.02 7041.83 4298.41 8379.48 5159.02 4970.38 7418.74 11625.01 9349.61 10888.39 7079.19 7177.26 6609.9 7181.28 7175.8 7042.57 6967 7176.79 7182.98 2',2'-Difluorodeoxyuridine 1436.03 4750.95 6919.99 7057.37 1964.57 2111.97 1649.51 1177.66 1405.34 1552.79 2518.41 1608.69 1592.15 2420.85 1909.3 967.13 2447.16 2648.95 2102.82 2637.43 4527.6 5075.18 8913.9 8190.03 2079.69 4818.93 9236.08 8036.04 2294.89 6895.96 2435.23 2433.58 5401 9067 8407.7 6513.23 4888.17 6988.05 6714.12 9524.95 934.53 1436.76 2515.18 2713.67 1983.76 2960.85 2086.98 1194.33 9783.38 1719.17 736.48 1298.82 3797.11 1019.32 764.39 1074.99 9205.54 7751.76 1467.23 3669.93 3141.07 1965.61 835.27 2843.48 1281.3 1081.75 870.77 928.2 1317.42 1696.95 1185.35 1399.98 722.37 1793.96 1744.05 1489.81 1316.16 1426 1434.87 1359.36 1349.49 1466.16 1340.93 1432.39 Thymopoietin II (32-35) 9127 5425.33 8890.85 10041.22 10931.04 9036.92 10862.5 9430.76 10324.7 10943.51 7418.39 8379.74 8126.76 7050.27 5833.98 6942.89 6135.19 3716.6 9780.88 9744.82 6497.54 5778.09 6806.1 10490.26 8960.23 7486.3 5582.15 5075.02 5686.85 4987.68 5817.67 6814.83 4592.36 3929.43 5797.33 8644.93 9402.98 1033.98 8815.55 4639.74 4159.04 7481.09 8218.01 11689.13 6945.71 7546.21 11435.93 8374.83 7578.79 7962.78 9560.57 7256.17 10313.94 4781.12 7726.1 2133.25 4851.25 10166.59 6388.96 3626.21 4985.09 13091.64 7869.09 6998.25 6637.69 6693.53 8387.69 15561.29 10575.01 10360.31 8129.2 3984.7 8645.42 5772.06 6947.86 8439.04 9051.96 6831.93 8101.26 7603.6 8304.04 8752.21 7984.35 8082.21 7989.51 10013.58 10791.41 9014.56 9744.12 8540.86 5845.57 8172.51 8082.93 9046.58 9148.87 8756.31 8169.92 8194.08 8534.68 8202.96 7050.97 5474.47 7817.63 6511.36 7014.79 6475.56 7081.13 6634.81 6451.85 Dehydrodiisoeugenol 808.49 451.73 940.39 459.1 1027.81 834.79 2878.45 628.17 2021.76 3203.63 3394.24 6660.02 5085.17 3420.94 1464.97 1407.58 1190.54 2261.16 4340.94 1459.69 709.05 478.38 367.72 397.12 840.33 780.05 825.22 817.03 1248.81 346.06 563.61 1118.64 417.66 804.47 441.44 933.36 681.95 560.4 424.02 767.51 1288.85 1265.41 357.51 3438.92 2923.01 2136.09 1881.98 1193.63 944.88 1137.3 667.87 1095.89 1543.36 808.33 850.05 1074.55 691.7 1343.26 1251.96 485.49 2139.69 1479.15 909.53 1159.29 1452.37 5328.4 1106.43 3561.43 1772.05 593.08 610.25 868.1 2228.33 1344.32 2028.85 1718.1 1582.35 1576.95 1703.58 1644.22 1619.01 1756.61 1591.85 1720.03 Reserpic acid 4761.01 6218.7 9971.46 8905.63 2451.85 8283.73 6484.61 2829.85 1712.01 4369.52 4449.55 8053.44 1696.46 1431.55 3106.07 12619.65 4507.39 9991.83 20756.49 19017.39 1969.47 11112.96 8254.34 1164.4 477.07 2498.48 1727.54 3902.43 5031.25 8679.93 1657.15 4253.48 6454.93 9536.25 1277.47 1935.6 1489.52 1796.3 1489.02 864.47 12156.84 12425.74 10480.52 2483.54 6444.11 20283.19 8982.98 3244.01 7405.57 27502.94 14721.11 12493.86 9367.4 11401.61 11328.26 6886.35 11738.93 7805.05 1125.84 854.56 3065.45 1221.17 2656.63 5960.45 4873.38 9199.74 24441.17 3361.22 2174.28 3840.43 898.86 1592.01 1347.06 12602.62 5284.24 3118.43 6078.42 5246.06 5780.6 5132.68 5587.62 4791.23 5557.4 5470.62 2-Chloropropyldimethylamine 2799.66 3257.47 2256.15 2288.16 2651.46 1368.31 2124.53 2945.11 2936.5 2859.64 3143.04 2000.41 865.34 2983.12 3013.43 3827.47 1954.66 4054.93 2729.49 3704.61 2357.65 2372.97 1648.62 2393.68 2390.98 1703.51 1388.04 2171.37 2221.22 3186.14 1624.66 1635.36 1891.69 1510.15 2519.53 2739.09 2202.14 2779.35 2828.49 1330.46 1997.18 2100.52 3035.21 2903.86 2326.91 1796.59 3219.44 3798.84 2367.39 2575.54 2343.54 2855.31 2531.74 1126.65 1800.16 2674.3 2013.99 3080.68 3148.82 2659.9 3094.75 3307.22 3132.05 2285.27 2726.61 2905.64 3486.6 2757.61 2765.74 3114.4 3466.4 3105.84 3303.31 3488.87 2615.22 2638.07 2627.83 2696.92 2644 2874.24 2696.27 2678.72 2637.5 2765.66 Rilmenidine phosphate 1871.73 436.64 957.05 1164.46 2058.73 3391.89 672.84 2206.62 1220.16 2286.17 560.83 2069.45 571.69 1238.9 350.75 419.02 1055.57 811.39 1202.03 1608.67 1039.37 729.87 950.56 766.19 3067.8 1069 398.17 848.13 758.18 699.25 2769.46 612.35 936.25 465.32 334.7 517.88 752.66 1341.9 434.36 291.09 1216.32 976.25 978.92 1036.73 2698.61 1305.22 504.09 446.47 1291.28 507.47 1995.29 338.32 982.21 862.43 1802.97 433.23 807.94 703.08 509.04 342.86 477.42 1255.59 1351.39 1306.25 516.07 281.04 1488.36 497.16 1330.84 1170.45 1736.9 1985.49 851.21 591.26 551.47 1620.27 1812.58 1658.4 1614.25 1501.74 1781.81 1759.9 1758.64 1806.62 fluorobenzoylpropionic acid 6260.43 7072.36 3452.55 3310.05 9157.81 9482.49 1746.7 10124.25 9443.67 7736.74 6733.16 6685.72 2213.5 5605.95 11207.87 2612 4672.78 17260.43 8200.36 21931.02 3288.44 668.4 1287.93 1850.05 1372.88 1843.18 1896.46 2362.61 3496.08 1120.98 921.52 6026.34 2797.78 2040.54 5056.64 4115.34 4994.18 1682.48 3872.65 2441.41 12518.25 9756.83 5585.87 4817 16889.22 5855.76 14268.64 8046.05 2785.62 8671 3930.73 8264.92 4986.58 4755.53 6869.9 7522.66 4528.68 9234.22 10326.5 10017.11 3398.55 1029.48 9955.69 8221.46 9882.45 9046.04 11185.2 4964.27 5915.54 8745.39 14114.72 2978.62 12185.17 7872.86 5239.17 9690.24 9047.42 9610.68 9465.66 9622.88 9635.38 9505.37 9460.07 9491.26 4-[(2-Furylmethyl)thio]aniline 5039.14 5545.59 2625.76 2257.95 4856.97 3720.43 3101.2 5380.58 7118.33 1464.45 3860.57 1744.12 1193.59 3154.51 5331.06 2628.23 3329.6 4803.96 4006.75 6411.94 7080.69 4134.2 3005.64 3783.47 6074.94 5963.34 3285.08 3689.46 5579.87 2643.05 6593.45 3843.76 4281.32 3368.2 3821.67 4627.1 5698.79 1786.81 2219.41 1590.76 6040.91 6212.75 3763.01 2698.24 5850.23 4419.78 4538.76 4771.54 3810.36 4011.03 5988.96 5022.9 3820.29 1660.79 2818.96 5241.21 4176.33 3333.87 4203.19 4318.97 1459.21 2169.79 4121.03 2467.54 4284.73 4596.78 6016.56 3402.07 2724.86 1261.86 5032.2 5252.01 3660.13 798.71 2390.65 3827.32 3875.78 3704.61 3602.25 3912.52 3862.74 3801.58 3601.07 3853.75 2-(Phenoxymethyl)-1,3-benzothiazole 5710.36 8516.52 1833.3 4224.27 8829.49 10365.91 6186.51 8830.6 11528.75 4418.73 8008.22 5295.61 4036.08 6312.55 6024.5 8209.89 4129.35 12455.99 7393.23 16588.42 8090.02 3942.47 3387.32 2693.97 3694.09 4447.63 1274.43 3426.05 6454.68 3213.57 5563.66 7090.66 5416.09 1322.43 1069.47 3156.58 3767.05 1038.4 3483.26 1386.07 10998.87 9842.93 4675.74 3218.73 12742.73 6317.94 5028.14 7932.34 4942.1 9294.63 6452.54 8466.02 5658.08 3031.78 2627.51 6156.29 2591.52 4599.56 8466.07 3361.45 4435.73 3266.71 9345.78 7196.04 6652.48 7315.32 10498.2 2877.95 7103.66 9850.55 10570.96 6001.35 2598.66 5925.4 2803.92 5180.19 5110.68 5064.17 5102.54 4010.74 4997.47 5239.2 5234.88 5014.88 Diellagilactone 7726.29 5123.99 3161.57 699.08 2757.59 1620.7 1155.24 2237.52 701.52 5721.54 2196.37 8295.11 3334.14 3237.54 2851.93 2025.51 2968.21 936.6 4724.41 2518.97 1198.29 2022.8 1412.2 6278.77 6922.9 4872.13 4228.06 3564.72 2487.65 1956.12 2388.29 1126.67 1296.7 2103.01 1465.24 8286.99 2528.35 910.36 2254.81 1929.75 5155.38 6380.08 946.92 2819.88 2863.5 2655.8 2369.38 800.62 8324.6 1977.33 4631.08 2629.05 2892.77 3419.84 3902.89 8618.02 1969.03 1711.16 5716.38 2690.36 17839.16 2462.15 2563.13 1163.42 1210.97 11136.38 8063.58 4644.91 1988.23 1999.13 2619.25 1777.67 2249.95 2982.41 4247.34 4173.56 3842.92 3388.55 2615.07 3677.57 4144.57 3503.92 3848.98 3521.11 1,3,6-Trihydroxy-8-n-propylanthraquinone 3690.57 2550.56 3005.5 6025.29 3053.11 4429.28 5589.82 4174.65 4054.52 5356.61 7233.59 7663.26 6174.45 6856.1 2034.84 7254.9 7715.73 2414.81 10339.28 4472.93 4046.48 1003.46 3438.57 2963.85 2758.9 1003.68 2357.93 4430.55 2231.32 5881.51 854.37 5737.8 1295.86 3215.1 3050.09 3327.7 2485.32 1087.76 3536.71 1802.81 3931.39 4173.44 6032.65 5607.08 3988.5 5762.69 3612.56 4549.13 4277.26 8993.18 1918.14 3500.74 5315.17 5979.69 4631.94 4181.68 2379.01 3107.08 3423.27 2749.74 4475.1 4696.73 3021.25 7091.29 7197.76 2840.59 4718.09 6617.83 6658.9 4380.47 3218.01 4777.87 7484.21 5663.78 5123.05 5129.44 5131.91 5128.62 4967.58 5176.31 4935.86 4914.75 4265.71 4956.51 8-bromo-cGMP 999.25 391.08 1245.26 2528.9 1947.13 2682.51 2570.26 1466.19 826.9 1426.19 1301.04 2145.22 1647.73 1533.25 341.07 1679.99 943.76 983.29 1639.53 2056.93 1058.45 307.65 767.63 636.5 384.32 565.51 596.16 737.29 352.94 1044.45 731.22 911.47 804.08 529.81 697.13 341.26 736.17 753.26 930.62 449.07 1293.27 1125.85 1165.11 2049.45 1198.4 1447.19 959.78 833.22 774 2084.02 512.59 937.61 1039.62 1961.61 1551.06 350.98 1407.59 1530.75 1204.34 1714.21 1652.03 1874.27 1170.62 1589.54 723.52 2226.31 895.43 1282.11 800.04 2024.15 858.4 1691.66 1179.19 1624.38 1638.54 2084.25 2149.17 2089.03 2010.56 1995.45 1891.95 2080.58 2013.1 2008.41 Hericenone G 814.46 454.55 869.77 1527.93 1007.48 586.37 883.05 1422.27 1346.04 886.92 869.26 1225.97 1532.44 1101.36 864.57 2026.92 1011.79 694.8 1742.47 1122.03 600.72 422.14 806.55 1191.73 665.45 637.12 664.66 516.26 475.28 636.09 580.3 1547.27 652.08 612.6 596.6 675.84 1514.82 652.7 891.94 1907.69 2371.1 986.96 1343.41 822.17 884.53 1268.87 2834.66 739.82 1198.55 898.62 931 435.46 876.23 423.67 1321.08 1461.34 792 946.63 1004.58 536.7 849.47 1191.41 961.76 743.38 2306.25 747.67 831.61 1022.55 918.34 916.77 998.87 1617.94 972.26 819.6 899.92 1310.1 1216.39 1226.36 704.52 1313.22 1331.89 1280.72 1187.77 1234.4 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid 3780.57 4282.91 8884.11 4125.42 6942.76 2700.42 4841.01 14268.95 8835.45 15522.27 8829.12 3528.4 19507.98 12424.67 8896.41 15548.99 7881.34 6196.22 22431.3 7352.18 1080.94 4535.37 13908.43 4932.75 7369.47 2812.23 3634.75 3359.42 5119.2 5636.46 1544.33 4121.16 5910.04 6354.07 2832.14 11398.52 4377.94 3647.36 5973.96 2213.74 7317.53 8444.99 8168.85 7779.05 3230.13 8981.31 4237.84 13470.48 7025.59 5215.03 9862.6 11503.3 16924.01 3625.29 7364.7 5042.54 13372.75 1557.99 9055.7 6448.06 10566.95 19232.13 9615.16 4744.56 7678.24 4054.41 1061.05 7142.05 4756.78 10167.41 2795.31 7043.07 3683.2 11722.43 11602.37 9994.31 10178.35 10229.45 9663.44 9625.71 10199.53 8941.43 10178.1 9792.34 Tetrazepam 772.8 445.97 212.78 663.6 1239.86 1385.06 827.28 1663.19 2110.45 871.83 503.76 1422.45 2158.19 357.35 1571.48 2281.66 623.65 1354.01 1655.91 2612.18 769.49 482.79 267.07 431.51 331.78 899.68 345.55 393.1 296.79 304.79 2645.91 1029.98 425.41 265.92 404.95 478.6 247.07 210.24 188.13 397.51 1191.1 1997.2 517.83 610.36 4217.63 2874.17 2865.55 350.4 501.31 1260.55 1500.23 1222.01 472.22 650.71 451.97 1695.1 346.34 433.83 259.56 526.44 345.75 456.38 685.19 215.24 1555.44 1159.65 2261.9 627.79 988.89 1849.06 589.63 983.45 1287.4 1969.72 676.98 2055.94 2420.65 2034.51 2123.71 1366.5 2160.87 1891.08 1877.98 2125.89 Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside 648.38 320.79 506.16 1019.12 664.37 962.7 279.88 2094.78 1644.33 1481.42 1151.88 3128.93 365.31 1887.43 2022.84 373.61 420.77 4425.76 4441.88 1931.21 1141.85 975.94 693.32 712.26 1450.16 456.81 589.34 697.96 1769.44 680.83 1554.99 2103.44 1351.29 1573.08 740.12 1170.35 1028.75 465.99 634.13 520.43 467.63 1502.86 1106.68 619.7 3928.73 571.74 3296.18 607.85 448.81 1406.11 1700.35 808.75 409.54 431.29 1865.21 718.69 485.81 640.57 1685.52 656.59 521.33 873.8 1082.3 970.19 2304.52 712.78 1075.77 419.45 806.33 882.45 729.71 578.51 1636.07 811.67 556.48 1564.25 1391.75 1099 1561.49 1437.98 1457.42 1484.07 1523.39 1648.45 N-cyclooctyl-4-methylbenzenesulfonamide 1118.96 923.79 549.71 1292.77 1567.76 1613.47 566.81 1984.25 2850.95 1056.66 1508.04 2665.86 3491.83 1270.61 1212.82 1582.89 910.62 1459.46 2889.54 1132.03 765.29 1061.44 697.07 945.9 519.3 790.25 424.82 1009.36 515.23 1918.95 940.01 1152.14 595.87 1036.29 902.19 1006.61 752.74 1073.5 822.82 689.51 977.04 1117.07 1086.56 826.27 1296.61 2865.08 1444.34 425.89 869.59 1289.32 492.75 848.05 2204.22 2118.27 972.27 825.02 883.29 837.72 503.57 389.21 498.45 1460.43 1258.08 2680.24 2002.72 1200.36 494.67 1324.37 867.24 918.1 884.62 585.84 2201.63 3777.5 2073.28 1419.73 1380.01 1403.3 1456.45 1481.04 1310.26 1471.37 1485.67 1494.6 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 1076.72 737.03 711.83 3309.07 3855.69 3914.74 3728.08 2999.99 2620.58 449.07 2592.95 3913.13 2873.15 1123.67 3553.24 3406.52 2091.5 3142.91 1752.05 823.1 1053.03 747.1 1205.59 845.77 967.57 645.46 562.87 924.85 1422.81 639.29 853.36 453.32 889.98 664.03 840.1 587.44 685.45 445.8 895.91 613.07 1874.87 1588.25 691.35 1074.15 1809.71 6176.44 2442.68 2290.99 849.13 2617.91 645.68 1027.32 681.35 1954.56 2228.71 1609.62 978.15 746.93 634.37 632.72 1310.3 1092.39 1228.93 1570 1906.49 3501.1 541.07 1641.94 1637.78 988.73 923.82 479.83 2729.01 2330.84 2376.21 1442.77 1594.65 1424.75 1596.01 1842.17 1539.99 949.82 1338.71 1668.65 Piceatannol 4'-galloylglucoside 4913.55 5650.7 3362.57 6329.76 5655.9 4415.12 3062.58 3950.4 2185.82 2358.07 1835.23 2547.63 3404.75 4265.93 3601.82 2403.73 4192.9 5943.83 2328.07 4097.2 1951.68 1482.49 2298.68 2355.91 1227.24 557.27 1616.75 1019.21 2622.4 4525.17 3395.36 5023.44 1795.39 1092.97 724.77 2551.31 2237.88 813.23 2040.36 1234.97 6642.24 4257.72 3566.28 1621.22 5372.73 2276.57 1677.26 5086.57 3224.89 4864.72 2658.37 3986.66 4064.71 4435.01 2846.58 2238.75 374.4 1984.95 3050.54 799.66 4131.91 2402.93 453.53 1853.71 2077.57 4958.65 4064.84 1075.96 851.6 3629.77 3708.72 2948.65 1231.73 1738.68 1459.75 3587.69 3155.67 3096.66 3275.66 3341.82 3491.37 3968.41 3604.68 3581.12 2-Naphthalen-2-yl-benzooxazol-5-yl-amine 6102.82 3869.9 2170.25 2803.4 8881.37 2587.96 7994.24 11262.9 2837.9 4811.22 4752.32 8820.71 8221.37 4677.75 4924.14 4400.43 5576.22 3254.25 1688.29 1496.61 1423.85 1310.65 2344.93 505.88 2692.64 3003.85 3129.46 1024.01 3386.63 1949.28 2826.93 1682.57 1334.01 412.47 1227.7 2009.9 3241.39 995.68 3047.62 718.67 8929.76 8308.6 500.35 4226.88 12823.2 2662.28 10645.52 2612.88 824.71 8453.03 956.58 5419.67 3225.63 2876.83 4316.43 4838.85 2800.57 1082.96 7746.75 2937.4 3971.86 543.39 3521.11 3195.13 1265.22 8709.55 3069.21 893.51 4682.31 3338.12 7839.88 5096.76 2798.62 3637.78 3618.77 4809.04 4985.72 4967.16 4943.11 4778.53 4676 4902.15 5178.95 4680.06 N-(9-Fluorenylmethoxycarbonyloxy)succinimide 5783.52 6146.06 2569.89 4503.25 2069 7053.1 4298.14 3421.81 7943.2 8230.57 3726.14 1126.05 4090.47 2935.87 2738.79 5157.77 6074.59 10787.9 6588.32 7698.8 5691.9 3603.63 2723.17 4617.54 5352.06 2395.2 1816.02 1629.11 2671.8 517.19 2570.31 5082.59 2473.88 607.51 3070.22 6253.4 6030.89 1295.69 5403.06 1889.29 9265.16 5511.4 5610.41 5507.99 3493.31 4389.41 8888.46 1606.78 2913.63 9085.38 1840.12 8265.56 4583.57 3400.39 6749.04 5290.13 624.03 6087.68 6894.85 1003.02 3825.55 1322.64 5782.02 3031.51 6953.32 3804.2 7426.12 1841.76 2424.69 6360.04 5105.8 6193.52 3945.88 4060.03 4603.51 7711.66 6255.04 7947.67 7629.79 7090.3 6963.35 7700.94 7078.71 7837.76 4-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1,3-thiazol-2-amine 3130.45 2027.5 10215.39 9435.02 10228.68 11901.48 5220.74 5534.85 4734.48 6107.63 4936.77 3942.34 13251.39 7154.07 7378.99 9920.42 9009.27 5530.75 8225.45 3636.7 4179.81 4099.18 2896.43 3288.04 2502.38 5643.28 1731.27 3498.32 6612.09 1722.48 2372.8 6102.39 2843.44 4237.46 6868.42 2599.91 2625.96 3975.27 7164.24 2065.37 5129.36 3806.46 7502.33 6227.69 6724.35 12161.78 9142.21 4566.65 4028.13 11415.62 5900 4986.34 8092.07 11578.51 5614.39 7123.05 7030.27 7644.85 6206.76 8150.83 6298.38 7514.22 6538.12 6267.78 8666.71 4620.29 3592.99 6411.07 4416.09 5492.03 6467.57 5888.47 5016.91 8936.17 12064.73 8945.58 10905.71 9347.55 9056.3 9203.74 9875.51 9165.96 6988.62 9812.7 n-(2,4-Dimethylphenyl)-4-methylbenzenesulfonamide 6355.82 3088.08 1277.6 1388.3 11510.64 3422.07 5749.69 3995.58 4832.3 9176.6 1464.09 13960.72 12148.42 3355.35 4265.11 9661.65 964.7 12790.59 7115.86 2879.94 2153.56 1798.58 2003.15 1922 2434.42 1942.95 1103.7 1265.04 3044.06 1295.95 1925.78 1458.52 3133.38 2207.03 1657.9 2574.04 1616.31 744.77 1406.16 1390.94 5704.92 8454.16 4387.83 1035.84 13523.99 7966.58 2309.36 4668.02 2384.86 3159.39 1915.79 1583.38 5597.76 2919.47 4726.11 2839.69 1152.47 2372.07 3410.28 1492.55 2460.52 4195.73 2880.83 3737.67 4010.17 7428.4 3397.03 6394.88 3172.65 3930.77 3789.74 2400.07 3424.57 3884.47 5034.95 5043.18 5280.43 5274.17 4843.02 5272.19 4990.92 5044.01 5591.63 5015.76 1-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazine 2530.93 1362.37 475.95 2438.23 3870.11 6275.63 3627.93 6330.35 2135.45 3521.1 2872.74 4256.89 2172.25 4291.15 5453.22 6517.34 2237.94 7626.51 7585.39 6179.17 515.35 1452.07 839.66 540.24 963.58 367.71 684.52 908.11 1552.93 1385.54 575.87 1079.63 1416.87 600.43 1010.58 714.81 505.46 792.07 368.39 779.69 5424.18 3813.06 616.32 3872.51 8142.07 3441.36 6311.62 3827.82 773.23 5938.26 914.62 2272.01 1724.9 1316.2 2783.25 2863.69 973.64 1695.93 2988.19 2118.48 1075.58 2968.02 957.73 4537.53 6141.06 6427.13 4716.33 3216.57 3731.32 5303.46 3427.96 2305.11 981.9 2172.05 1156.72 2967.84 3139.16 3536.09 2943.17 3008.36 3135.04 2820.89 2965.54 2812.02 Loteprednol etabonate 2989.25 4712.1 4169.94 3613.49 4499.9 2235.3 2724.66 1697.24 4269.18 1847.8 917.51 3823.05 2377.5 2647.74 3060.88 3071.5 773.46 6530.08 2261.55 1145.28 1077.25 1374.26 789.15 578.33 1168.2 534.64 1042.4 919.16 1123.26 521.04 887.2 2705.2 1563.53 1228.94 770.46 2849.41 2568.5 580.16 3443.37 1259.96 1867.86 2451.52 2198.08 3695.25 4050.94 2115.49 6092.75 1934.49 1223.59 2959.18 733.23 2415.61 2356.37 1436.35 2261.19 2034.12 2575.22 2916.16 4041.85 2696.64 2564.19 758.07 2201.7 2088.73 1718.84 3689 5429.34 2961.09 1004.59 3125.21 2254.36 1450.38 886.87 3274.39 1888.13 2606.27 2965.96 2778.93 2774.82 2765.14 2780.53 1518.49 2774.35 2607.83 Centaurepensin 4378.44 19384.9 53770.64 20986.14 2485.58 856.92 11569.62 4069.16 2179.65 3358.36 13586.76 6053.9 8195.99 9379 3198.65 1418.15 7480.66 1375.93 1911.77 6586.31 8921.81 43097.87 35878.33 36392.74 2297.47 26269.85 49087.5 18489.6 5688.08 17435.22 11939.73 11655.67 27224.64 41709.33 49706.13 8551.17 21766.47 81368.64 25556.63 52543.58 2373.18 4701.54 40473.33 29704.97 2830.12 12064.95 3091.05 13384.84 27598.41 1765.82 13995.76 3364.28 26555.63 35093.06 2927.66 11591.08 44935.52 45229.85 6793.4 28516.83 24803.82 24232.02 8132.33 29094.29 7151.3 2345.12 4810.57 11787.84 7512.21 3039.89 7753.9 5204.04 7904.22 11281.9 11114.32 3442.19 3386.55 2713.91 3239.13 2872.71 3243.61 3073.78 3382.5 2765.93 osmanthuside B 17272.47 5156.04 1670.3 3539.11 6660.27 7300.51 5760.67 19086.71 9534.41 9287.49 8656.64 14171.43 3353.56 4072.62 18805.3 8201.16 4306.78 16568.38 17789.26 28927.62 15335.26 1327.02 2072.56 3845.44 13231.92 7055.39 4550.55 9184.03 16304.93 15652.12 17492 9709.64 5519.98 2175.56 1551.82 13905.78 12488.05 1287.43 8026.9 4131.43 56861.05 16502.79 3560.73 3833.56 21407.58 4775.89 20472.34 2446.39 9509.28 10369.34 8730.03 4388.08 2598.78 2718.78 4517.7 5330.65 533.41 2011.1 13409.16 2132.57 1995.14 2393.28 4521.05 4012.75 10281.03 11887.73 7348.6 9767.56 14044.6 20620.23 8216.49 13022.73 12833.11 13823.45 8785.4 15954.22 15073.91 14976.24 15808.87 15855.72 15861.21 13446.56 18681.6 15097.59 1-[(4-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 1259.51 1720.68 1810.21 5943.75 2796.04 3544.37 3925.35 703.85 453.71 1605.8 1662.17 4944.97 13136.19 3878.01 1193.92 1440.78 1657.63 526.45 4632.18 1398.89 2286.91 2055.33 1970.11 1381.16 1816.17 965.16 1294.77 1292.13 531.38 2045.92 1936.72 4881.12 842.26 1035.12 382.66 1242.93 1654.97 963.63 2893.3 895.77 3752.63 1853.02 2958.11 4298.29 1926.73 6532.57 2191.48 602.11 1919.13 1428.18 1801.03 1823.22 3649.78 4056.26 6840.37 1729.71 2447.17 3675.18 1754.84 1290.77 2648.17 4880.42 1936 3594.98 397.79 2580.69 2210.37 3223.67 2708.58 1828.75 1155.76 3796.61 467.43 2891.93 4512.54 3670.91 3639.22 3705.5 3637.54 3623.25 3700.98 3639.17 3633.53 3701.19 3-(2-Benzothiazolyl)-6-methoxycoumarin 534.93 606.07 640.24 895.23 1215.08 780.04 2443.33 352.91 296.94 602.62 313.06 372.26 801.81 504.8 511.35 985.88 581.35 322.81 611.07 424.9 575.95 572.83 666.96 283.51 401.25 920.21 779.22 559.67 446.59 679.63 532.48 354.08 455.97 747.43 436.93 418.35 496.74 681.07 439.64 732.48 899.08 790.2 814.61 373.49 506.44 743.04 389.78 314.62 502.19 545.99 614.59 1099.75 356.13 909.81 553.47 320.11 825.38 724.71 483.85 506.73 1187.83 532.89 452.41 362.11 326.09 2181.8 2225.02 749.76 563.51 555.84 499.48 292.77 717.34 1151.42 876.17 966.81 1383.85 958.07 1076.62 1065.04 1071.03 961.94 819.62 1226.67 1-Tridecene-3,5,7,9,11-pentayne 17658.39 21446.55 13545.25 9892.43 15091.82 34193.75 17470.43 17127.03 24631.28 15476.74 19134.49 13301.73 10128.67 15585.13 15913.07 11826.02 9255.51 18688.91 9086.32 26631.99 20646.11 34381.11 16405.33 16342.73 17605.21 26550.36 10952.81 18732.78 23197.33 8353.37 19125.2 16181.59 19773.26 19069.88 17312.28 18980.15 16346.28 14901.74 15635.28 12378.74 22792.46 25770.68 14393.14 14865.09 20682.24 16121.32 24387.98 24182.64 15218.48 17797.16 17997.94 29503.79 15888.89 13833.2 11536.32 23312.35 13028.06 12651.41 16838.47 30463.97 10452.91 11775.41 19516.85 12926.23 14100.75 16931.96 39260.79 10451.53 13755.12 17930.16 20110.95 19800.85 24885.08 13722.23 9530.2 16169.47 16613.32 16164.63 16163.12 15764.07 16598.9 16941.99 16567.32 16590.7 2'-Deoxymugineic acid 764.12 2034.83 2104.32 1080.49 930.69 421.48 760.05 2763.32 1266.51 614.34 1047.21 1658.93 1811.48 858.25 1259.22 1392.52 1413.79 1361.21 960.65 1041.68 1117.69 1095.15 8253.16 969.25 1130.45 1098.41 684.3 575.9 955.07 1510.81 950.08 1065.45 725.86 606.75 688.46 519.62 1009.5 818.88 1883.12 1027.06 1598.57 835.99 703.28 391.49 1454.82 1530.41 861.28 507.59 1267.97 1793.17 3342.18 1154.79 1197.47 1956 2000.33 1806.35 714.01 506.46 560.78 7293.83 1148.02 3510.86 1226.56 1001.21 1554.97 747.88 784.73 792.82 856.62 1397.75 1435.95 5814.34 1704.47 1250.32 587.7 1413.43 1293.66 1319.17 1412.88 1446.63 1428.3 1320.81 1298.35 1196.85 1-(2-(4-Fluorophenoxy)phenyl)-N-methylmethanamine 2633.11 3064.24 1494.08 2001.31 5922.76 5033.61 1721.03 2788.72 3349.76 3476.55 3705.98 6087.74 4547.66 1823.91 4313.71 3301.77 4476.3 4870.45 5232.88 2166.26 1877.96 1034.03 2513.37 2078.97 2562 1303.89 1365.15 2366.81 4371.91 2241.2 1474.43 3979.92 2218.08 1641.74 1403.83 4190.53 2691.54 564.55 694.33 1547.43 5378.33 3674.64 2766.95 2367.7 6099.5 6893.65 6541.65 4535.06 3184.07 5954.47 2798.24 1780.64 750.32 2126.34 1592.71 2081.98 573.66 1026.02 4308.21 2899.08 2536.93 2371.76 3367.23 2453.81 1365.68 3235.83 3491.16 3073.91 2564.15 1723.87 4337.98 3678.61 3068.27 1775.38 3970.6 4031.04 4006.66 3918.35 4019.83 3705.58 4012.49 3774.75 3756.79 1321.48 Hydroxystreptomycin 8207.04 11163.95 10256.2 16495.52 16884.15 38524 23422.21 13427.78 7396 17953.28 17601.68 4403.44 21781.79 17567.41 17222.76 17528.22 19224.58 20206.59 14625.51 18244.88 9209.41 23628.59 13484.46 8404.18 10653.54 16980.11 6290.17 7229.56 16998.81 6903.84 8178.38 32875.11 16756.25 14887.88 12568.67 8518.99 12841.95 6731.98 13600.48 7508.52 8221.78 27673.48 20296.42 19285.86 17545.44 18034.15 31539.73 15660.23 11421.14 17906.95 15432.66 24341.29 21999.62 21068.31 13953.43 28362.22 12484.55 9286.93 14312.67 24975.91 19693.86 20214.99 14555.16 21014.2 18586.95 14453.01 5817.47 14298.68 10629.47 11774.16 5739.56 28754.53 4838.1 24884.97 22410.22 18541.46 18508.05 17931.8 18476.02 18081.9 19569.3 18083.87 18078.81 18062.83 2-phenyl-N-(propan-2-yl)quinoline-4-carboxamide 1116.98 2417.04 3070.96 2935.02 1683.32 5749.13 1061.59 789 897.91 552.95 591.55 1651.81 2702.62 1579.33 1573.19 993.22 673.39 4382.77 5697.75 1002.01 1316.76 4222.54 2195.6 1563.67 651.19 757.74 402.77 1153.71 6610.56 1236.03 525.35 2413.85 988.38 2139.56 531.42 1335.23 490.33 1939.38 1676.78 360.36 340.14 1304.49 2427.3 431.81 1216.98 1220.2 3066.16 2207.54 719.15 1817.53 376.77 439.49 649.37 500.88 465.32 1911.94 1388.52 2564.14 649.43 3985.7 382.4 3344.29 799.65 2565.88 3088.33 655.8 682.96 1669.6 640.61 1836.58 961.1 4183.84 846.11 3687.43 1402.02 2112.91 2001.67 2124.12 1925.22 2086.15 1992.23 2279.45 1233.44 2091.07 4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide 6030.9 6918.4 4198.78 5547.82 16521.56 3258.37 4242.82 6722.7 9369.06 3364.8 7033.32 15781.69 12340.05 4219.73 3882.05 10306.87 9069.82 12967.5 13245.63 5014.44 3632.03 2894.55 5377.12 5153.48 1708.56 4267.82 580.67 2263.13 3517.58 1046.03 2215.19 9275.93 2145.23 3505.54 3296.55 4322.36 6605.68 2877.61 2602.38 1994.14 12180.45 17503 4242.98 5707.56 14408.92 4647.47 11311.22 12380.05 4474.91 3787.09 8267.87 4545.82 7311.16 7314.64 4799.61 3609.65 4724.41 6374.63 11874.62 7312.11 6545.69 1610.97 10307.73 6205.16 5474.63 4919.65 9322.94 6779.98 8688.8 8394.54 6070.95 8064.58 8515.21 2717.45 5082.51 5128.82 5168.06 5327.78 5059.56 5589.66 5786.91 5032.36 3239.93 5486.63 Fenofibrate 4806.17 5707.62 510.12 1335.45 4620.11 3561.48 2538.3 7260.7 1130.57 3905.7 3013.59 5575 3121.45 3099.76 9998.77 1651.89 6791.81 8196.72 4938.91 3719.91 5918.1 1118.59 1520.45 4295.5 6192.65 988.67 3309.21 2752.48 6371.97 1206.92 5078.25 1188.93 2670.24 3421.47 811.2 5374.87 6907 1052.09 725.68 3262.9 6895.3 6330.31 5539.29 4804.04 5826.68 1428.33 9684.2 6764.24 1765.02 3060.62 2452.62 2526.93 2275.14 2665.74 7331.92 6884.49 2948.04 3702.13 1295.7 3324.19 4722.04 1149.91 5839.41 2432 3968.37 6266.7 5632.5 5656.98 10523.18 4560.52 4420.99 6526.68 3638.46 4847.34 2056.5 3871.17 4364.16 4298.09 2639.8 4305.46 3800.93 3919.84 4022.71 4266.91 5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one 5085.18 1974.82 1274.48 1913.09 2577.16 796.5 2831.05 1533.57 2808.98 1349.11 1154.9 2576.55 1904.92 2404.72 2722.58 2355.1 2379.1 4199.09 2714.62 7383.89 2852.09 888.83 1747.95 484.15 2806.21 1952.22 1428.29 1616.78 15506.12 1578.85 6922.59 4146.54 657.01 2060.42 2807.9 1297.38 2668.22 1326.75 1305.19 2354.99 9535.98 1098.37 2277.74 3140.56 5168.79 416.38 4587.96 6078.2 2026.99 3436.07 4113.55 1863.26 1195.03 4165.06 1004.93 3797.28 477.82 3620.37 1717.43 1640.74 4575.12 1154.67 8041.56 716.53 3943.01 1759.12 3410.57 2805.6 1522.01 4112.04 11298.11 1164.47 1158.43 1641.14 754.84 78140.86 20705.49 7304.06 18969.95 4295.78 18389.67 19706.65 19439.65 16851.81 71097.89 20721.35 14536.76 54518.43 16177.54 74693.19 18002.97 69387.62 18645.12 6568.09 4323.18 3874.63 6452.87 1425.83 4272.84 3099.82 3057.32 3777.83 5287.64 4684.54 4140.56 2866.64 3952.12 s-Ethylisothiourea 561.6 452.98 805.51 1974.12 1695.94 690.82 848.83 1071.28 5687.41 1311.74 2377.94 1945.67 9356.64 1036.94 5742.37 879.21 2175.43 748.08 2157.41 1526.79 674.64 815.55 348.58 349.72 330.66 327.1 433.3 429.42 701.91 1082.77 606.35 666.21 558.59 603.18 796.64 412.15 738.18 614.53 318.78 523.77 373.78 377.08 933.5 1125.86 769.44 1081.69 1315.86 360.15 1150.4 337.98 357.57 480.71 1072.68 637.88 460.55 1121.05 2709.79 1879.78 350 430.92 2943.77 923.38 1037.94 1726.97 465.35 5824.62 562.61 918.53 929.57 570.79 485.17 601.9 1604.32 871 745.15 1237.2 1344.92 1382.94 1474.45 1790.14 1479.24 1443.92 1338.34 1042.13 [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 835.93 343.52 4681.92 4167.58 505.34 538.86 703.26 1149.11 414.44 1447.41 2835.24 370.8 632.3 1834.66 784.43 272.93 7806.17 3218.39 580.02 1476.32 499.48 630.18 707.66 532.45 405.18 2858.14 324.14 1378.57 945.68 1166.51 1126.81 385.91 1839.89 1345.05 2678.67 293.07 1255.42 906.55 342.58 431.79 547.74 1058.2 945.65 5352.96 1153.66 790.16 1709.02 699.66 1092 2807.76 567.78 2354.88 383.43 239.05 857.24 3908.09 6650.75 10820.47 766.39 1412.77 4197.04 539.36 1207.93 11730.97 14787.97 916.79 531.14 1606.59 2906.22 664.52 1213.02 955.98 567.17 6013.88 619.67 2385.04 2559.66 2585.88 2390.64 2375.2 2306.85 2324.61 2426.51 2511.73 4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone 462.95 2387.29 7542.51 2808.48 1561.48 4714.88 1687.9 1966.1 415.84 819.5 722.16 1625.54 1217.07 431.58 2106.14 2506.6 3480.15 3118.9 494.73 2395.64 2411.67 1950.64 1416.44 804.97 1634.6 3611.65 1167.89 1168.75 1785.16 892.63 2990.71 578.22 1634.72 3009.2 811.3 653.54 1759.95 825.75 1001.22 1343.83 2264.77 3086.51 1604.28 1453.91 1751.51 1398.27 1478.81 331.75 783.94 2593.31 2175.49 2211.15 1012.31 2600.49 2498.67 1164.7 1306.67 6338.65 1879.04 1544.2 2350.86 668.38 3445.2 1808.12 489.25 1167.22 769.42 2382.4 2050.49 1397.33 1530.13 508.68 1394.96 1009.62 1839.26 2669.38 2799.16 2628.62 2499.72 2539.59 2564.45 2696.02 2497.66 2712.43 Farrerol 7000.78 3646.23 1570.92 1211.7 458.19 723.14 2593.97 2337.24 4957.63 2627.03 1606.17 2132.06 2418.82 2851.52 4891.92 1884.28 1474.45 2771.32 2959.21 5864.69 3085.95 1806.38 1325.56 1398.25 4544.12 2373.46 1088.35 1864.62 1674.24 1032.01 4059.92 725.87 3387.72 1409.08 1710.53 5582.07 2828.17 909.41 1349.39 1862.97 7809.61 3115.32 1024.6 1614.34 4025.2 615 3925.21 5488.3 1234.12 2528.62 925.96 960.06 791.2 1676.92 1994.53 3033.72 1258.04 977.74 2674.76 2290.71 2307.83 1973.15 2896.75 3390.76 4534.19 3550.57 5583.53 1373.97 2323.41 1970.66 5868.15 2832.43 3702.99 1655.89 687.54 2721.15 2306.74 2758.86 2780.38 2564.27 2635.98 2574.76 2897.61 2498.87 1,2,4,5-Tetrahydro-3-benzothiepin-1-one 5606.62 19758.92 10343.08 1840.84 2133.95 11415.04 3749.69 1617.76 16029.76 2389.41 10131.56 1874.15 2048.46 6524.95 8341.21 1310.49 2239.21 3068.49 1586.95 10489.26 14124.84 33155.25 6010.22 7318.44 6431.09 23837.3 8273.37 9024.3 13155.23 7802.5 20467.47 10697.4 18271.26 12861.61 10726.56 14351.97 12373.82 15635.33 7868.91 14875.75 11529.11 9885.12 8537.13 3311.32 15367.55 4252.51 12703.62 14045.56 13743.05 11847.09 13788.95 28742.22 8591.09 6673.15 4731.01 15744.33 11601.03 8610.88 1036.96 13114.75 4019.85 6189.19 13464.02 5991.84 8281.81 5605.82 30336.78 5447.99 8151.61 10859.01 10769.26 4446.41 4606.37 2874.92 1438.51 6805.98 7148.29 6594.88 7139.81 3074.28 4251.44 7243.76 6680.93 6964.1 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide 1642.07 1905.32 1484.96 1151.05 465.78 803.15 1362.42 2706.85 827.46 10419.66 918.37 2632.51 1283.26 2976.36 2119.06 3510.54 2477.94 1220.68 6683.18 2541.76 628.21 8337.75 586.28 1158.1 2365.78 26246.66 10777.61 4486.09 4536.86 1441.61 1865.1 3749.67 3160.63 2556.19 2359.19 8045.54 1375.54 1285.47 738.88 1485.4 2172.26 1224.14 588.83 428.66 2697.51 855.45 2946.43 2533.2 3145.5 2964.14 782.28 3432.92 3877.09 3187.1 2417.41 3599.63 1468.8 610.82 3899.57 9224.62 2913.59 4443.34 2799.4 1350.79 2374.94 685.7 2401.21 3879.13 1265.6 9186.2 1261.1 11150.74 2306.94 1273.28 3483.72 3601.93 3281.65 3367.58 3072.61 3462.9 2998.64 3683.11 3583.97 3762.46 3,4-Dihydroxybenzeneacetic acid 3074.02 3312.2 2727.74 6575.85 7897.96 8214.94 7365.19 7118.37 7858.56 4908.51 4268.67 5966.82 5208.92 4604.3 2487.5 6144.36 4995.03 6859.23 6553.21 9238.48 2111.85 554.09 1179.8 529.31 564.36 1838.63 1274.61 476.71 1054.77 1002.92 465.06 2366.28 540.23 1385.93 1483.68 436.29 643.8 892.35 3613.42 1318.08 4873.41 2845.25 2729.86 1320.54 6735.73 4445.56 6966.98 4108.21 722.8 7278.77 1135.3 4214.51 2512.05 1516.5 1281.42 2994.25 784.43 1007.32 4478.96 2286.44 3046.95 4446.15 2299.5 4963.17 6542.69 6582.3 1825.25 3607.86 4973.28 5376.8 2493.59 1536.67 1790.24 2247.6 3367.46 3612 3498.93 3490.03 3617.25 3637.62 3489.83 3643.09 3438.47 3511.68 Clorprenaline hydrochloride 7391.71 10406.03 8833.26 12010.26 10617.94 5517.57 11681.41 4125.36 6680.76 8810.57 7677.06 8255.71 4684.86 2892.28 4980.26 6405.95 9590.53 3731.71 5864.29 3449.47 12574.15 11430.99 9853.23 12954.37 13302.88 10228.08 11238.54 12890.25 13649.29 9174.94 9004.17 6868.34 6045.88 11965.32 15786.08 9873.23 6811.33 8809.09 12720.61 10171.72 7285.82 7960.12 7659 12067.43 12050.08 7634.04 11201.23 7012.39 6733.68 2902.77 15990.56 6427.54 10774.41 6167.12 5714.01 2186.67 5492.79 13196.61 10307.36 11711.28 7259.85 9262.55 16078.45 5076.58 7314.27 3911.86 2298.74 3601.43 6744.22 4459.8 6283.46 9557.02 10690.84 4403.04 5955.09 5540.83 5082.46 4408.71 5304.74 5132.11 5300.26 5288.76 5071.22 5111.97 Streptobiosamine 2042.12 1866.15 1116.1 1735.38 5075.35 3211.34 1391.98 3864.75 1896.94 1578.73 667.76 2709.09 2307.36 775.22 2130.65 3865.13 1345.93 2677.78 2359.68 2487.07 1532.04 1423.02 1501.15 2136.7 2599.64 1147.42 1109.95 1912.63 2686.02 1894.62 1573.48 3078.48 777.34 438.1 815.21 3080.3 2603.52 741.57 2106.05 1277.88 3942.89 4941.99 1283.1 2496.82 3037.27 2815.67 3021.23 1273.63 1123.24 3708.21 2826.34 2965.61 3267.94 1369.33 2794.39 1874.21 783.57 444.18 4432.97 1598.79 1165.34 1070.32 1076.23 1637.54 1213.07 2295.94 3425.38 1003.86 1512.61 1649.33 1761.15 408.4 2468.86 1171.64 2817.72 1169.55 965.93 1444.74 993.39 1150.33 1783.27 1359.3 727.57 1128.63 1781.1 1907.74 1501.11 1691.02 1069.59 2147.86 584.92 2107.75 1882.09 1025.04 832.61 1408.46 1927.04 1025.38 1688.23 1062.37 2856.41 2722.62 2674.72 2258.36 2822.64 2542.66 2827.95 2731.22 2821.91 2-(4-Aminophenoxy)naphthalene 3594.67 5054.51 2653.66 3153.36 8070.7 6176.81 7556.61 7442.44 5712.05 4204.36 4600.88 8149.2 8281.78 1998.07 7059.47 5265.57 2887.33 10669.49 7986.05 19205.23 4769.04 3488.22 2700.32 2182.67 4854.49 2270.21 2138.67 2314.27 4100.45 2966.95 2847.81 4502.65 3395.11 3506.28 2584.4 5781.93 3324.42 939.51 2810.7 3485.49 5441.49 5428.63 4273.61 2652.35 5847.62 3720.82 7352.84 8353.51 3377.25 5267.35 4089.98 5242.78 5522.41 6268.58 2080.11 3756.36 1637.14 3343.8 5983.75 3463.4 2993.58 4230.59 4751.8 4462.96 3986.53 6232.43 8819.41 2402.33 3914.53 4495.9 1687.13 5235.06 6039.83 5734.44 7242.43 5532.96 5845.45 5668.97 5067.65 5533.27 5661.66 5660.75 5541.14 5531.8 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine 5721.52 1723.85 1918.18 982.62 6075.69 3055.62 401.01 3484.54 5214.75 3323.49 2439.04 2800.35 1944.38 1850.35 2782.87 7523.14 935.79 1120.05 3174.48 8384.32 1553.94 814.3 1626.09 817.1 3493.32 1230.54 1160.34 1662.56 4950.23 2721.86 2032.85 2307.8 1726.55 2790.3 1110.26 3032.76 1899.1 480.01 2793.31 1712.72 3805.66 5431.27 1129.31 1591.69 2573.33 454.54 3701.21 1813.54 3782.94 1477.41 3931.9 457.66 1465.69 541.64 3043.4 3045.57 707.86 998.73 2047.31 542.9 2091.64 853.97 3009.65 1007.77 2806.07 4825.55 4231.64 1890.11 607.97 1202.34 3100.29 2052.71 3266.45 3057.86 1514.66 3162.58 3481.24 3923.88 3410.82 3459.31 3131.44 3419.25 3166.01 3099.45 2-chloro-N-(cyclohexylmethyl)propanamide 443.74 522.93 629.96 549.67 2403.09 1079.53 1303.07 1531.2 1746.15 1645.54 1083.85 2872.56 1932.66 948.01 1705.14 1376.05 852.06 715.37 3566.54 417.49 510.95 506.24 809.58 544.53 730.05 451.25 437.56 1294.2 1622.02 545.99 485.84 1631 560.56 716.81 522.1 739.95 358.86 5816.68 747.46 387.24 1878.46 1416.74 916.23 608.8 380.41 2082.49 1090.55 1394.3 1250.98 1336.21 833.18 783.72 989.89 530.75 1160.71 753 493.67 454.67 1267.74 1563.58 882.41 611.61 917.95 804.05 982.31 645.35 653.79 1416.34 808.23 422.13 529.69 2024.21 1039.66 1226.64 1159.89 1334.81 1318.37 1385.84 1398.39 1263.71 1371.93 1376.48 1258.39 1294.13 2-(Methanesulfonylamino)benzonitrile 1632.5 1036.27 2805.13 734.08 1205.24 7309.6 2608.75 1339.22 2174.64 2376.95 5271.67 2487.34 1208.7 2339.58 4758.46 2932.17 1737.59 2713.47 5353.11 2993.91 8003 2830.46 3333.82 2030.06 2362.75 3239.85 4065.87 3284.5 2657.23 4846.86 4344.19 2603.1 15759.04 4205.36 6311.54 4124.58 4221.66 3137.02 2963.51 6685.7 2860.3 2471.1 2760.32 1086.57 710.54 2286.32 8568.71 2506.45 3033.07 2323.95 2643.82 2266.84 1123.32 801.36 3411.03 3279.94 1461.67 5260.04 1397.31 2546.73 1372.87 3634.68 7234.45 3316.85 6949.01 750.79 930.34 2251.39 3327.99 4401.64 4992.5 4334.67 10247.15 2357.94 1249.43 1743.13 1770.09 1605.43 1625.66 1967.31 1786.37 1381.83 1821.72 1563.6 2-(2,4-Difluorophenoxy)acetohydrazide 722.84 941.34 1305.86 2261.91 910.5 1053.24 1577.67 455.4 1546.62 1060.44 1221.33 2158.77 1813.27 615.33 746.8 1095.05 835.49 5243.46 563.95 9656.71 648.29 1531.06 3077.49 446.66 2000.67 636.7 759.5 609.73 707.19 966.84 2817.14 979.37 4583.68 1294.31 1777.4 1786.78 679.56 657.12 1760.88 1204.1 1548.58 6458.17 654.71 1474.57 779.36 1402.75 2190.67 788.72 1037.12 982.46 804.81 1953.32 1173.59 1379.58 952.83 805.47 1706.45 2083.49 956.58 1556.19 1377.79 854.57 774.53 1450.15 1034.88 3334.45 1100.75 1907.19 3073.16 767.74 544.39 717.23 825.68 1350.96 1015.04 1396.17 1313.7 1412.71 925.22 1453.2 1414.66 1337.47 1333.91 1476.37 (Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside) 619.79 1314.57 1571.46 1129.86 2344.33 741.56 1531.83 1449.26 1748.6 1279.61 1385.8 2867.81 4138 1995.38 1188.9 4735.57 1318.34 4320.49 1411.18 1109.68 372.08 605.91 828.33 450.47 755.32 568.55 675.53 1132.94 734.81 228.37 388.6 1229.04 465.27 286.69 648.06 356.96 714.28 446.13 2087.53 1245.45 717.18 1438.63 1786.59 3726.41 1114 1811.89 1169.62 619.85 445.41 1615.28 405.07 968.16 5775.44 5447.97 1964.05 1568.54 4580.62 2947.36 1263.28 1108.23 1523.33 4557.88 1473.34 1844.06 267.32 2325.15 1179.22 1122.94 1636.54 1027.46 542.54 387.44 1771.5 2873.54 5212.6 2895.64 1501.03 1119.4 2533.03 3000.23 3010.84 3038.15 3163.53 2686.51 1-(Methylsulfonyl)piperidine-3-carbohydrazide 81.12 14.65 10.18 81.7 189.04 76.34 10.24 9.93 73.06 75.18 193.03 10.16 19.84 27.62 198.63 1067.32 122.06 11.75 568.83 430.05 11.78 10.83 12.52 17.84 31.64 10.65 11.17 10.89 18.26 10.39 16.32 62.43 57.8 11.26 46.64 17.82 185.87 10.66 13.6 21.27 109.56 9.95 44.45 46.32 9.94 11.33 245.98 71.98 327.87 123.02 11.09 108.34 14.29 9.93 8.27 10.92 9.95 58.41 97.69 9.9 10 3046.35 83.58 247.2 9.95 137.59 111.1 200.23 9.96 63.73 15.41 14.85 54.74 226.4 10.19 94.57 57.97 60.05 105.71 57.98 105.29 110.05 107.57 57.98 N-(2-methoxybenzyl)-N-(thien-2-ylmethyl)amine 8040.42 5842.76 3954.83 5321.47 11475.17 9442.8 6029.89 10883.46 11322.29 7275.77 7917.37 11839.37 9696.92 5394.94 8297.84 10093.6 4827.4 12765.8 11183.05 13073.57 5300.94 3368.51 3531.64 3657.33 6790.32 13266.03 1901.03 3507.03 7904.4 3855.18 5542.81 7449.87 5328.68 3633.07 3116.92 5563.11 7594.16 689.64 5233.94 2121.1 10914.46 12232.32 4868.67 6394.16 12892.91 8976.78 13266.71 9934.21 5410.27 10680.71 6938.66 7545.24 7166.1 6520.81 7131.31 6579.1 2398.54 4398.8 9343.4 4995.34 5007.67 4763.34 8210.6 6278.82 7157.58 10610.4 11462.61 6143.8 3277.67 8731.32 9861.48 7212.44 7208.39 9343.65 6829.42 10016.62 9955.88 10013.67 10008.09 9834.7 9927.26 10212.71 9167.56 9801.73 Sulfinpyrazone 4849.85 4750.51 6972.15 2075.12 4350.26 3790.92 755.06 14390.83 13541.34 2488.5 15928.72 785.41 7319.35 858.37 2384.95 1065.76 76140.22 9537.08 1295.68 8052.86 19571.02 3220.99 3710.77 3937.52 9898.69 27082.45 27171.45 8930.89 5857.15 10544.46 17849.04 5229.9 19073.88 1978.92 15473 8007.72 23117.08 96965.17 3615.7 35191.62 5066.63 11144.12 13212.93 8607.29 3954.04 758.24 8373.73 7933.47 9357.6 2021.24 6312.11 5434.59 8343.55 4927.9 9960.39 4398.66 8986.99 63993.39 7731.61 77424.49 1152.92 6108.04 14032.95 76376.73 27345.44 1476.57 18932.72 774.51 1589.02 13705.65 13954.83 11157.21 40749.33 21893.88 1705.98 6147.98 6175.1 5529.95 6271.78 4636.87 6870.03 5922.79 6218.22 6020.42 N-(p-Tolyl)-2-naphthylamine 1793.79 1307 668.25 1092.5 1535.06 658.3 1218.29 1567.81 2186.95 2458.72 848.17 4183.38 6719.34 1771.81 2527.49 2331.56 976.85 2533.47 3818.18 2124.1 811.4 934.11 1032.78 626.36 1602.58 1163.99 960.15 800.35 3092.53 1585.57 426.59 1494.28 1083.33 386.43 792.86 2688.48 837.44 585.62 1146.08 463.39 2979.86 1894.54 922.52 1220.46 3097.02 1098.83 2006.98 2798.69 725.56 1408.71 876.04 1364.2 517.08 842.39 1228.22 801.22 427.41 990.34 1235.33 1162.93 908.79 859.58 413.01 598.67 1470.55 1556.21 1702.31 1501.98 1370.02 698.15 987.17 1741.21 1169.2 2184.05 1946.74 1825.66 1868.47 1812.42 1809.37 1909.41 1911.74 2142.09 1717.93 1880.55 Bianfugecine 6984.01 4167.54 1113.31 2563.51 10095.46 5478.04 4556.19 6385.54 11116.16 992.34 8132.24 4157.69 1948.39 4831.56 4409.31 6019.26 1560.29 13439.84 1468.56 20152.87 4250.07 1529.1 2106.53 1346.51 6653.97 6420.81 911.63 6261.8 7937.99 2797.84 3050.24 2227.69 4894.49 1850.78 1570.54 1320.62 1078.12 923.92 5369.06 868.33 7175.25 6239.95 2891.71 2525.02 6134.26 5460.16 10119.79 1334.61 1261.07 4352.34 3454.98 2248.14 2707.93 676.43 2516.7 3767.08 1268.57 1227.77 3473.03 1159.7 2255.78 2840.79 3618.72 3420.02 1398.51 7538.05 10952.81 2716.65 6573.96 6155.84 6126.62 1369.92 3263.94 632.76 1135.72 9347.08 7080.44 12741.36 8194.95 6749.17 7854.82 8663.66 6152.6 12319.23 12596.45 8910.34 6976.05 11564.6 5764.03 8533.45 7334.42 7285.35 10975.03 8375.82 10650.01 12942.29 11107.54 9858.93 8200.43 9347.58 3292.84 3542.67 3340.99 3579.2 2670.57 3140.22 3188.58 3084.83 3140.41 Pyridyl-2-thioacetamide monohydrochloride 1726.71 3774.26 2573.3 1253.72 2589.32 2272.73 2431.8 3275.74 3753.92 1672.22 4884.85 1422.71 1241.26 2294.15 2608.18 2503.9 2339.08 2300.79 1437.92 3295.7 6667.6 3898.01 3492.41 3331.6 1941.03 5000.45 2465.66 3263.99 3959.8 2787.46 8246.4 3078.32 3776.43 4060.06 3724.01 2384.39 1972.89 3174.02 3629.05 2686.35 4816.12 2687.86 2903.64 2992.27 2000.35 2887.66 1560.14 5136.15 3268.89 2480.32 1724.2 1530.22 3118.32 3237.87 3122.56 3160.56 2597.13 1618.39 2393.71 2777.18 1806.39 1019 1538 1889.37 1138.16 1077.63 5995.51 2140.49 3588.42 2945.52 1957.77 4567.35 2198.87 1424.08 2222.43 1938.85 2926.2 2463.46 2499.67 2445.27 2279.38 2270.81 2318.05 2265.23 Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio- 4012.98 1332.49 2180.23 2874.67 2612.22 3850.63 2592.72 1935.21 2980.53 2366.72 3413.63 1738.87 570.66 787.56 2331.47 2121.14 975.02 6183.48 2358.59 11703.84 6756.96 2966.36 634.2 3723.55 3416.14 1454.32 3629.64 819.63 1408.95 1674.51 5509.37 3800.53 2157.26 1860.79 7633.27 740.16 11779.23 972.24 1471.99 12474.3 954.91 11755.42 2669.96 2020.36 4392.81 3173.62 6869.8 3408.49 1619.61 1397.71 983.36 2637.72 1300.87 895.83 1242.05 783.7 3240.96 2676.2 9433.85 3070.3 3715.91 1688.36 9095.66 6889.8 7428.72 2916.59 19875.19 2404.72 3371.73 1944.01 2971.32 3352.26 6532.22 1399.11 618.06 2450.16 2268.7 2193.6 1276.22 2594.42 2567.9 2395.46 1893.49 2452.69 RNA Polymerase III Inhibitor 1148.54 791.7 634.02 2697.15 1030.73 832.84 955.76 543.1 1047.64 910.99 1051.77 2969.34 2817.02 1147.93 888.26 725.81 1087.61 385.92 742.38 371.84 855.67 789.38 397.72 383.5 686.66 579.75 610.56 777.24 1380.32 639.06 801.96 1671.23 611.94 668.22 740.06 813.28 637.43 708.52 754.39 536.43 505.29 1298.6 748.45 1770.58 1036.88 3855.76 541.39 780.08 382.66 1431.96 1287.62 942.4 711.94 1226.09 1400.57 739.38 724.27 1146.18 1074.51 343.14 774.17 998.32 1026.08 1017.83 1118.35 1088.88 1024.28 1662.82 674.98 983.77 654.17 1024.95 731.27 891.37 1769.31 1779.28 1745.5 1751.22 1771.04 1773.78 1496.51 1671.2 1622.62 1635.27 Acetylcholine iodide 2086.64 554.55 780.48 1210.55 402.6 2018.76 1242.27 2799.72 2916.98 2693.77 2966.57 2426.51 1197.95 817.08 653.55 4200 1454.74 2315.56 4460.41 1014.92 1166.25 771.97 968.55 630.33 1328.44 838.3 935.62 1025.87 1098.88 995.73 1209.49 1746.79 951.84 930.93 993.25 1201.8 912.33 772.6 1726.64 727.59 723.86 1824.56 1070.3 821.8 2953.99 862.01 684.47 1411.87 1224.74 3345.83 1266.26 462.64 1240.82 1300.48 907.35 1563.58 894.24 1012.82 1332.72 656.18 1624.8 2119.75 1348.79 2439.98 1694.83 680.64 1413.22 1802.5 1692.76 1333.51 421.8 1070.05 1352.97 2768.75 1040.1 1087.15 1581.71 1518.11 1591.54 1598.16 1595.54 1471.68 1584.92 1580.96 2,5-Diaminobenzene-1,4-diol 821.86 2030.84 617.9 725.93 5336.18 4715.76 2164.74 5168.28 9345.44 532.21 772.26 8573.67 6234.04 445.89 6694.93 1847.24 701.42 8668.83 14235.53 1363.03 3036.74 338.3 292 444.08 1518.22 1207.62 724.52 843.59 4058.95 630.13 970.67 471.62 4622.26 415.68 432.26 2571 325.07 540.93 677.56 261.01 1379.43 1011.78 405.54 604.58 1089.58 3221.89 4905.87 13647.93 1596.54 2282.49 762.84 662.5 492.85 1429.71 448.7 1447.03 349.27 823.22 2579.05 321.52 694.09 898.42 500.28 2444.23 1594.99 943.28 3141.72 4324.06 758.7 1539.78 6243.99 769.42 1575.44 1585.28 4023.65 3110.87 2911.51 3107.75 3102.07 3101.19 2994.77 3130.47 2410.14 3005.2 Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester 14968.48 13184.59 8601.86 3714.97 21360.77 3015.77 19663.68 15615.12 10251.88 13568.97 12818.12 6294.71 4758.07 14571.44 17175.86 17480.37 13331.11 5189.5 18926.56 8346.31 4305.07 2169.74 3931.67 4370.54 9983.99 2834.47 2010.09 3838.77 6302.32 4469.32 3360.79 5766.58 6177.43 2182.82 3923.83 5916.37 8844.74 578.78 11089.67 1410.92 15753.32 13632.81 11982.64 13152.64 13361.86 23594.61 18498.87 13847.54 1602.11 17647.99 8135.22 17264.52 5737.4 8263.9 14898.76 16749.06 7077.83 9189.2 15089.08 12590.36 7995.58 15177.32 14476.4 8419.95 3409.98 20152.94 10214.25 11236.64 14686.67 16724.8 12858.88 12931.98 7678.77 17667.75 20468.22 14611.97 15282.6 9404.49 15704.63 15910.39 14594.18 14485.74 14610.26 14575.6 1,4-Naphthalenediamine 692.87 653.72 2015.36 1938.79 2231.99 2220.87 653.67 287.61 600.01 927.73 1540.76 1072.6 1613.81 578.11 3340.9 23114.58 4117.24 686.38 319.26 437.76 661.93 557.97 681.19 906.75 630.32 703.68 501.02 540.59 611.06 679.02 564.46 325.38 810.4 661.05 1851.3 453.07 1164.55 538.88 1002.2 1171.42 1081.81 238.08 1091.41 1113.43 771.59 781.44 477.08 719.38 449.98 9438.19 360.8 530.04 604.45 918.69 713.81 3331.55 3374.42 1907.76 377.13 4972.73 3954.31 1578.08 890.84 1192.44 1698.02 1333.26 764.31 519.7 977.1 645.19 2534.28 416.91 4490.09 3347.02 1469.67 2316.19 2309.96 2256.29 2311.93 2384.36 2146.69 2209.04 2208.16 2314.66 4-Hydroxyphenylglyoxylic acid 7362.42 7598.29 5636.7 3781.71 5213.73 4643.39 3947.42 5898.35 7457.38 5807.21 7228.91 4547.12 3896.4 5324.99 5305.28 1302.28 6363.81 7149.32 3488.55 3908.41 8202.67 5382.41 3865.57 6175.69 810.35 6970.97 3101.73 6857.62 4058.24 5838.19 2804.58 1126.22 6940.83 3797.75 2671.12 4036.5 7686.41 1997.75 1697.07 6366.91 6849.98 7380.29 4878.75 3444.75 5581.46 3787.12 9557.37 5942.48 6534.47 843.21 8509.43 9095.87 8285.61 1710.6 5769.18 6907.18 6199.8 1033.91 3836.39 4134.81 1965.48 6581.47 4454.83 1834.22 4662.56 5217.06 4577.87 2253.15 6898.88 4044.01 5650.53 5191.91 6951.19 3895.86 3745.53 3430.57 3357.36 3330.62 3824.08 3584.61 3494.77 3486.42 3738.52 3701.52 Methyltriphenylphosphonium 12102.02 1977.51 678.76 5772.71 16561.07 11674.92 10209.57 17943.52 16797.88 14365.26 11729.69 19552.17 13538.61 10402.67 13838.26 14610.98 7294.42 22040.47 16709.11 17337.25 6856.48 1875.11 1644.86 5921.52 8644.3 5786.81 4439.63 4583.79 11099.38 3713.75 7677.38 9835.09 5776.07 3196.87 5539.26 8244.65 7034.7 1247.94 7005.47 2156.03 13180.8 14304.33 5150.07 11696.56 18212.05 11906.93 16645.07 13791.82 4721.17 12982.7 9773.15 10347.24 9851.28 9616.67 8239.7 3652.38 1302.81 642.36 14954.03 1773.23 9155.51 4968.55 10786.48 4286.46 3259.67 12244.39 14649.27 8968.38 11105.99 12266.4 11796.78 6862.62 9567.03 3349.07 10819.39 10420.55 8552.5 10105.12 10083.89 10504.36 10508.23 10499.17 10550.53 10041.54 N-(4-acetylphenyl)benzenesulfonamide 1660.65 908.94 715.37 643.63 1006.35 829.22 1846.27 1530.06 669.09 600.2 2540.08 1649.85 2622.69 1224.06 930.65 1238.54 1282.22 695.84 555.63 1656.13 1795.09 682.32 1005.18 1781.65 488.84 1011.73 698 856.33 1163.37 1307.06 1841.94 901.8 933.06 2016.08 2154.7 948.59 1548.75 827.11 1912.53 2309.48 1596.2 619.9 1741.19 1173.68 1431.06 2492.1 1377.34 631.83 914.97 1139.62 1914.4 1254.41 1228.77 2282.18 1700.09 965.21 1642.42 1065.8 974.11 939.1 616 1580.43 2077.91 2668.44 1437.68 1287.94 2643.74 1087.22 1002.69 2167.59 1993.01 979.17 2843.74 2567.91 3263.46 1427.83 1477.81 1558.49 1422.94 1831.08 1400.98 1528.38 1423.7 977.88 5-Ethenyl-1-methylphenanthrene-2,7-diol 1422.45 1316.7 766.9 2545.75 3862.99 5525.27 3793.87 3996.4 5499.54 3078.7 2524.95 3853.45 4630.11 2137.57 1245.2 4004.55 1257.67 3330.21 6145.45 3544.97 586.08 1580.14 519.21 1188.47 601.16 540.76 523.49 1049.65 527.17 998.19 496.45 938.06 878.42 1128.78 533.59 1280.09 710.05 519.9 1728.47 781.59 1567.2 1485.48 3223.65 1786.49 4469.63 3998.46 978.72 1777.04 782.95 2220.28 1142.61 1269.99 1953.24 1752.65 2093.22 2748.25 1033.18 1190.46 2434.65 936.58 1858.14 3682.79 1176.16 3091.99 2957.34 3985.34 2198.73 1929.5 1529.16 2612.43 2425.06 1858.84 1872.73 3729.95 1316.54 2420.46 2351.33 2425.5 2418.17 2427.89 2485.8 2322.96 2422.74 2355.36 4-(4-Phenylphenoxy)aniline 7097.88 4937.72 1930.63 3268.85 10632.69 1210.09 5469.66 10956.33 9450.09 8089.92 7151.01 12316.08 9001.46 5694.06 7981.01 8880.39 4240.37 12318.3 13199.44 10346.55 6007.05 4215.97 6092.32 4262.44 8299.62 6023.18 4553.97 5540.1 9106.17 5525.78 5791.78 9794.97 4748.12 4929.83 4318.03 8250.97 6515.24 2022.66 5487.52 1550.46 10420.85 11777.05 6425.84 5481 11495.45 7406.08 10017.36 8872.65 6406.85 8249.04 6651 5797.07 6164.2 6843.13 5324 6047.43 2435.55 2161.75 8692.32 444.16 4392.77 4791.46 6019.92 6767.5 1608.89 9117.86 9094.73 7847.29 6476.6 7164.39 8968.87 9071.37 7531.72 5687.73 4408.47 7712.84 5711.79 8155.99 8065.32 7740.72 8195.81 7756.63 7993.19 8074.46 2-Naphthalenethiol 4382.51 4331.88 3987.66 6145.04 6536.97 6637.14 4681.82 5743.79 6703.64 4535.34 4706.12 5699.66 5242.45 3507.9 5788.18 5545.44 3998.83 6227.04 5004.22 5900.25 3549.24 2025.11 1479.5 2137.05 2196.1 2362.53 922.83 1662.94 2953.15 953.63 1571.7 1159.52 2263.83 1590.74 1689.75 1336.12 3077.61 959.01 3571.17 1498.45 4415.47 2916.64 2383.48 4208.97 5982.39 8261.53 6619.87 5125.54 1821.63 5795.96 3468.24 4503.21 3623.5 4684.26 1909.29 4517.11 4936.31 5583.17 5320.28 3188.25 3473.8 2751.66 3633.08 5582.88 4683.43 2627.63 7439.64 5655.31 3225.69 3478.76 5457.16 3725.14 4880.91 5483.19 4091.62 5142.41 5034.72 5030.38 5137.5 5134.23 5172.68 5035.72 4789.68 5141.33 Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine 17167.83 7453.29 10333.62 10751.23 17693.91 18804.11 7171.37 10500.01 23777.68 7038.78 10894.79 7017.17 5381.45 5021.69 14388.09 16988.42 3058.96 18214.95 8614.95 10064.87 6932.43 4358.77 3816.64 3573.21 5127.85 1640.18 2160.33 2972.04 8734.9 2643.87 2878.98 10818.54 11210.76 4139.87 4573.98 5918.89 7579.94 550.41 8593.14 3635.86 12394.33 14410.44 8105.03 6545.55 13294.02 6598.82 16105.41 11555.76 7534.22 15092.29 12367.92 9302.92 8283.1 3352.77 16008.46 3350.11 15476.62 10675.48 5331.85 17453.11 11803.72 6973.53 17680.99 8514.46 11177.4 7188.96 20348.72 9947.74 7041.67 10817.33 10583.25 9494.81 3866.12 12538.28 8386.85 7838.15 7245.36 9022.31 7751.2 6959.39 5442.97 7623.94 7125.75 7227.55 Phylloporphyrin 4448.61 11879.36 18946.62 2679.21 908.33 2032.55 2554.71 1914.73 3108.99 2038.47 4568.29 2677.86 890.61 16076.54 4449.15 2642.84 15006.92 662.82 3191.32 2769.04 7102.96 2154.9 10132.47 12744.61 2336.61 1716.64 5968.7 3255.1 4826.6 5061.26 5912.44 1790.33 1796.36 1501.7 7841.31 4001.13 3007.29 7665.59 6957.19 6945.45 2106.85 6975.42 5630.98 10598.64 6942.23 1405.2 4867.16 2404.68 2820.35 2476.82 4425.7 6865.22 917.4 4085.76 4588.32 5852.32 8581.68 3701.28 4369.69 4539.5 4386.41 4750.17 17078.1 5030.81 936.92 785.75 4001.99 3272.91 4037.1 4150.66 8875.96 4707.98 4267.53 4721.02 778.59 2769.86 2943.61 3208.21 3172.66 3356.8 1790.25 3344.27 2724.55 3327.37 5-(2-Ethoxyethyl)-1,3,4-thiadiazol-2-amine 6545.2 9533.21 7326.8 8369.67 11804.93 15052.15 4909.91 8737.48 10908.26 5715.85 7365.83 8345.45 12591.84 6914.69 7849.84 9235.99 4828.33 12565.75 12596.1 1910.25 6973.31 8448.71 4313.61 4141.51 5014.24 7346.32 1584.63 3188.65 5137.17 4987.16 3996.75 5181.64 4325 5175.56 3909.86 4746.32 4419.15 660.95 3586.74 3211.11 9033.15 8584.63 5636.62 8830.06 9962.04 14834.97 8988.2 7223.21 6000.37 19346.81 6230.7 8922.99 8126.39 7205.34 5227.16 6383.68 5063.31 5297.04 8563.5 7186.09 7226.23 5747.98 7102.07 7728.99 8967.44 7509.93 9321.11 6209.94 5666.27 6936.01 8957.15 5605.26 5828.16 9510.25 3704.79 9453.29 9298.54 9359.85 9384.47 9611.62 9300.67 9448.31 8579.16 9319.59 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(E)-2-phenylethenyl]phenol 430.93 440.28 719.76 1510.55 299.34 403.14 3123.86 1485.61 305.28 772.58 2428.43 20398.72 5086.01 1873.98 2756.4 3028.39 516.82 2845.87 4568.86 841.18 380.66 780.39 523.08 758 787.47 666.66 618.62 487.72 1294.81 411.45 852.11 493.89 391.05 1103.43 383.06 1350.25 772.49 423.93 501.8 864.46 770.81 1880.63 1129.39 504.89 1735.01 2546.84 3232.5 670.38 482.73 11807.22 559.67 708.57 727.33 1032.6 1366.57 1902.06 420.3 641.02 1791.48 1052.52 1406.01 1782.36 1236.22 1505.81 1588.14 996.54 1134.22 754.94 935.75 1565.29 1001.97 532.66 412.18 987.42 1968.73 1610.8 1867.41 1862.22 1774.62 1498.1 1196.53 1659.25 1703.12 1948.98 Lacto-N-fucopentaose-2 619.64 247.3 890.59 2667.52 470.13 3009.08 392.84 3865.7 2056.09 1600.86 3190.03 989.75 636.96 461.49 1655.61 370.23 336.72 686.27 805.75 1220.78 963.21 310.53 587.44 338.97 876.98 395.86 339.59 317.07 1718.19 341.02 602.4 468.8 687.44 872.63 235.45 852.08 558.84 587.27 628.31 817.9 1438.17 1590.86 597.6 807.9 1131.84 839.2 1148.27 1373.82 608.84 1058.97 550.16 679.26 703.9 659.76 433.62 428.45 634.54 794.41 391.63 1109.81 547.34 562.34 491.41 405.47 1044.83 335.61 2047.1 606.96 446.84 1135.38 574.52 1949.39 880.2 1840.45 383.31 1518.49 1245.74 1404.63 1068.98 1453.45 1046.24 1329.49 1485.99 1562.37 2-Methoxy-5-(trifluoromethoxy)phenol 1537.67 764.79 963.43 1159.11 3807.54 2865.98 2045.02 1162.86 1886.17 2277.54 2283.51 5078.35 4729.37 1394.62 2169.46 2546.7 1000.59 3626.58 4924.26 3798.6 649.89 631.8 511.8 393.87 517.15 807.15 590.85 859.43 548.34 722.31 443.43 969.06 665.07 398.92 956.01 745.91 772.3 909.72 1060.7 669.08 2354.67 1816.48 1291.19 1840.02 3179.91 3198.8 2802.43 1575.96 1158.52 4119.57 612.79 643.74 856.52 1082.03 998.65 581.97 790.66 1026.2 1641.72 566.85 388.92 981.21 1728.4 961.73 1084.05 2277.79 1643.19 1233.95 1634.24 2134.55 423.03 1127.31 481.96 641.04 1729.53 1580.32 1577.95 1507.29 1485.66 1039.55 1484.79 1850.03 1505.93 1478.46 Isorengyoside 383.28 855.71 586.34 1778.46 1635.3 584.81 2463.52 1921.37 1495.82 2983.87 2259.08 2066.71 2380.72 1477.93 909.34 504.93 825.28 516.93 2310.92 850.01 409.69 1063.85 400.99 782.3 782.67 544.98 561.98 829.48 398.48 1214.76 595.81 816.7 714.54 860.38 1164.77 718.45 996.9 472.41 1647.29 577.03 763.87 910.43 1095.28 2787.57 1379.52 1465.81 1572.07 798.53 484 823.84 944.84 537.02 394.52 406.75 1038.94 632.82 845.33 744.55 1987.98 845.77 3184.81 2521.61 1226.3 1321.72 2083.03 1266.92 1647.07 1491.49 870.49 981.97 2664.04 2914.31 2211.04 1842.37 1637.36 1308.75 1262.25 1208.91 1724.31 1376.59 1263.39 1254.48 1209.6 1221.28 1-(Butylamino)-3-phenoxypropan-2-ol 1184.1 1670.41 843.28 1192.98 1035.19 777.8 1297.11 1451.48 1333.05 1465.38 1034.2 2099.1 1507.65 2192.08 2025.36 692.86 812.6 2797.25 1902.95 2896.69 1049.16 1870.88 413.38 441.5 1894.26 1299.67 711.31 1236.82 953 2060.12 1647.16 1014.36 1269.66 504.04 994.59 1781.65 1761.5 693.87 1307.81 424.73 1140.06 3895.48 333.95 456.21 2145.34 1198.97 2585.55 1017.9 462.17 486.91 1020.74 1840.8 1098.5 921.21 1469.46 991.24 704.33 1018.49 3159.18 645.29 426.51 1077.68 678.93 637.4 2018.58 675.55 1580.21 462.56 1650.55 1083.31 2166.59 1123.03 2011.22 1360.21 3317.15 1513.76 1168.47 2071.85 2247.57 1645.39 1748.28 1885.19 1029.04 2612.74 Chrycorin 1772.62 2160.83 2054.12 1790.3 1940.13 3157.07 1885.03 2464.73 3456.31 1755.87 2378.22 1617.53 1011.6 959.53 2645.21 3848.39 1157.85 3866.64 1163.03 6863.34 3602.3 2552.04 1423.81 1669.55 1681.09 2562.45 1054.21 883.89 3522.71 926.38 3236.7 1848.07 2049 1639.11 1860.56 2040.84 3677.03 1648.43 2256.76 960.69 3711.06 2648.33 1441.69 770.55 2721.89 4168.16 2833.31 1971.74 732.06 3440.56 2216.96 1803.75 1572.07 1868.28 925.83 2390.38 2619.19 1559.87 3337.36 2356.21 1093.47 1233.73 1850.67 1475.7 2026.42 2536.95 4158.76 745.96 1323.01 2674.84 3132.57 1593.43 2528.95 2186.57 3127.03 2766.1 2747.94 2714.69 2570.6 2809.25 2316.34 2571.72 2796.4 2799.77 Pyributicarb 1014.28 1847.05 848.82 2035.06 2771.31 2018.45 4184.56 3246.57 4058.53 5309.18 3032.89 4639.17 5076.95 2093.38 3165.3 2904.55 1765.13 2893.62 6411.26 4043.47 910.24 2360.08 2283.44 859.63 702.25 2398.98 3031.83 1912.4 5402.58 2658.55 1561.6 815.9 1070.32 4355.87 1380.34 2002.42 1838.3 1018.79 676.33 986.73 4207.42 4445.73 1337.43 924.28 2717.77 2641.96 5043.87 1995.27 1478.17 1784.59 2473.91 3095 1993.52 753.54 1559.59 4296.91 1263.24 1561.62 4294.79 821.04 1740.99 2973.54 2928.09 968.83 884.33 1047.78 3343.1 1390.74 598.2 2838.45 2555.6 4216.54 1346.78 744.37 2235.8 2559.3 2587.85 2629.06 2516.31 2681.32 2567.28 2720.54 2517.33 2768.24 O-Formylcefamandole 25592.12 19812.78 24456.05 5898.85 26659.55 40001.09 30469.81 30182.04 29818.43 26126.59 34607.29 47134.1 30285.98 29797.31 25146.31 25568.75 27475.58 42716.02 34489.71 34537.05 20987.24 23686.16 28994.01 26109.01 49337.68 10839.69 15194.81 24807.2 29482.24 25359.23 538.79 27841.62 21833.28 23057.28 33616.84 50467.25 19295.71 10804.27 43410.11 17823.55 39525.67 47406.99 30122.12 44839.46 27316.16 33964.49 29238.01 48822.61 28121.1 42364.74 27251 20188.03 38047.27 52464.45 32928.73 19014.97 8019.41 3647.81 19519.55 51541.42 23419.98 37111.6 36801.77 32909.41 6585.64 26843.92 15872.19 31091.81 8419.49 30281.22 17029.82 35897.78 33112.7 47113.07 23909.28 29604.6 31842.71 28973.29 29105.97 28389.66 29665.83 29051.8 28508.11 28979.99 2-(N-Methylperfluorooctanesulfonamido)acetic acid 767.79 770.09 934.5 1395.07 802.11 1582.32 676.1 329.81 1123.55 655.87 990.32 2432.63 1376.35 2545.61 1830.84 387.14 754.04 2255.72 2220.64 1317.39 812.74 621.46 429.85 586.9 861.87 800.89 590.98 736.31 614.1 755.78 712.18 699.14 1267.47 538.46 588.7 797.59 843.55 442.13 2001.07 890.16 504.89 943.1 632.03 2914.1 1187.27 932.67 714.6 1115.75 580.77 1924.71 524.62 952.96 758.56 895.96 467.82 1579.02 1015.86 1628.16 317.72 837.72 1044.05 378.46 556.73 1724.57 992.29 534.29 596.7 658.46 2013.15 507.5 833 677.58 720.59 721.93 296.21 1223.27 1038.68 1356.14 862.52 1324.77 1237.56 1094.47 1271.99 1283.81 Ethylene thiourea 1614.06 1829.67 4931.19 5434.16 4279.48 4043.59 3282.75 1537.41 1713.86 3211.73 3004.91 2098.12 1366.99 508.11 563.11 4616.96 1110.04 1415.06 1035.03 659.64 865.05 4994.52 3639.68 2899.69 772.79 809.87 1313.09 1082.47 1974.4 787.58 915.04 820.56 1329.99 2663.86 2673.91 939.66 703.37 1655.5 2323.77 1643.69 1341.58 1721.35 652.57 980.43 1908.06 1723.34 725.37 2066.19 1078.78 1917.84 572.88 2182.39 901.53 1386.53 1041.41 1826.03 4487.89 6054.24 1787.36 4128.46 3434.25 881.49 1596.84 1122.42 1865.1 856.28 1961.7 1890.86 1618.45 1886.24 662.1 2588.41 2121.31 2862.53 961.59 2213.74 2220.97 2286.25 2126.43 1655.62 2115.6 2182.66 2136.07 2136.33 1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane 2421.9 3027.43 3061.04 5394.94 4645.43 7165.29 5586.57 2490.51 3449.65 4777.41 6125.84 3350.38 4890.91 1763.02 5117.47 2514.97 3342.25 2171.9 3365.13 3079.66 1018.6 4159.4 2749.26 4056.92 710.44 1112 803.48 6800.04 1006.52 2993.05 1972.4 982.28 647.56 2370.53 3112.54 1155.71 1456.11 2205.56 3622.46 2148.34 2214.42 6192 1165.16 4106.47 2523.87 8171.09 1932.54 1148.07 1408.56 2197.56 3407.29 1941.74 1074.36 3064.44 3894.6 2245.06 2854.18 3878.77 1777.34 3576.34 3778.33 2942.65 2077.37 1073.55 3340.07 3776.84 1306.25 1328.14 957.61 3068.11 1225.79 3848.04 4232.34 3589.41 6485.34 2825.28 2534.79 2859.33 2799.85 2866.72 2514.97 2524.02 2580.77 2768.25 2-Butanone, (2,4-dinitrophenyl)hydrazone 934.2 3074.58 3247.48 5937.09 11551.2 15972.07 9003.52 5434.28 2386.87 3440.36 2479.61 1950.92 1709.46 2922.47 1847.78 366.04 3731.65 1580.47 3326.9 3698.71 2627.7 2786.85 3491.69 1106.44 1181.8 2619.14 1033.97 1346.83 4585.91 729.95 1323.68 2848.6 966.54 1437.7 2001.96 2212.22 1091.28 806.07 4228.88 2195.84 4451.07 986.03 1480.03 1358.76 3284.59 1984.64 2323.37 559.31 3134.57 856 4794.09 3889.64 2241.39 8583.28 9634.86 5515.2 4148.76 5273.94 4057.2 4871.85 3929.11 2195.3 4116.6 6098.02 1057.04 2551.28 3533.63 2067 2804.72 4096.07 3290.65 2802.51 3440.36 4874.39 7889.15 3906.75 3594.56 3829.48 3249.4 3563.79 3802.16 3493.62 3844.41 3890.42 Anthrakunthone 2225.75 9060.7 5582.69 4510.2 6057.89 5616.13 2745.09 2498.69 3035.72 1738.47 3844.48 2377.77 1317.57 3117.07 1891.89 2667.85 2851.49 1618.18 6698.42 1751.71 3878.4 8698.77 13332.92 2783.88 1085.22 5041.14 492.96 762.19 1588.31 2179.4 1516.72 6123.67 1408.82 2964.99 3102.2 2390 3437.98 1361.42 3197.34 4891.1 2050.66 800.3 12999.8 1887.39 1780.91 3821.51 6136.15 4629.02 1635.03 3707.19 2746.14 5042.61 4062.8 3704.32 3455.8 3705.7 3904.28 8374.13 2343.31 3369.67 913.96 9996.29 2748.57 2325.74 7148.71 3015.6 2133.75 3277.99 1997.71 2203.47 1259.94 12371.64 3117.3 16951.99 8074.18 3825.08 2885.24 2582.53 3154.5 2920.22 3145.91 3061.53 2809.76 2513.56 Octanoylglucuronide 7838.08 8806.55 7472.64 15163.6 11298.15 11227.07 12325.26 10662.99 9624.18 12147.01 10041.21 14669.63 17009.26 10904.29 10018.35 14704.8 12058.34 13332.32 16705.11 11820.87 7464.14 4551.38 6856.45 8232.88 6416.35 5275.14 4583.96 6797.71 5864.66 8813.7 6831.95 8170.18 5824.46 7678.71 6758.96 6611.94 6883.84 1138.19 6784.46 4979.26 11994.57 8541.01 7408.73 14220.9 12632.39 6511.99 11201.22 8097.09 6850.25 13742.37 6997.19 11913.02 8680.56 7634.87 10532.1 7408.48 6517.16 9671.46 10847.65 11037.88 11119.73 7816.89 10196.73 9459.95 9571.36 9904.46 10085.86 11171.19 10715.91 10915.93 9745.99 10126.57 8676.39 12897.66 10199.28 8741.16 8663.31 6618.98 8436.3 8456.96 8758.09 8613.11 8755.37 8820.65 N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6-Yl)-1-Phenylmethanesulfonamide 2507.62 1112.71 923.22 1360.8 4862.78 2917.77 3383.08 1725.99 1755.91 3859.28 4293.99 3258.89 1053.3 1556.6 3351.21 1230.08 1818.95 4411.09 8829.61 4024.11 996 1413.17 497.1 1866.69 3273.5 1592.02 962.04 1391.35 2812.98 1227.71 2178.41 3058.42 1619.57 1462.85 1109.16 1673.87 2788.01 1200.95 959.31 2628.69 755.52 4174.56 1211.64 779.82 3497.71 1576.86 1007.91 6108.62 2133.37 2773.28 1799.47 1608.72 2111.2 1393.51 2924.41 2121.51 1156.97 2197.59 2455.12 2725.42 2333.49 2058.21 2227.35 1826.04 3812.53 2048.74 1398.16 2005.63 1518.61 2219.4 4561.14 4629.91 490.86 2109.29 2043.59 2423.62 2373.33 2367.37 2593.07 2598.89 2567.15 2564.43 2756.47 2374.52 Sulfazecin 12574.07 19339.99 18724.84 19967.25 3626.77 4377.04 8564.75 9523.92 2533.88 17204.48 23674.98 7848.61 1373.21 20019.22 3490.15 8807.47 25726.09 7046.94 12335.46 5778.12 23829.74 16842.75 22873.81 24453.76 23208.97 23113.25 31067.86 27597.86 20010.89 22864.77 18421.38 6910.11 24788.28 22104.74 24847.34 27345.72 29204.74 32764.74 24860.64 49111.75 5632.42 5370.11 23652.32 28535.34 1090 7629.86 2123.88 21751.66 22719.53 4332.73 12749.59 16578.32 17631.78 18930.5 9843.86 19538.91 29641.29 26796.92 14253.87 12811.43 26802.69 21040.18 13334.41 16700.51 22292.02 6530.46 8720.64 26129.48 19402.84 3567.1 7586.77 22003.14 18205.64 8543.59 16968.26 10586.84 9873.13 11172.29 11378.79 10961.63 11175 11576.74 10075.17 10495.12 Cysteinyldopa 2046.88 1155.8 639.1 2018.88 611.6 1263.51 1480.87 1333.11 1253.39 2017.55 1764.89 884.38 1769.43 1293.29 641.28 2068.16 2751.22 1126.45 2333.18 994.34 2312.3 789.17 5239.99 3446.44 3264.97 1138.04 6549.19 5272.8 2824.84 2775.64 633.9 1916.13 1511.42 4542.56 3565.63 3190.25 1352.06 2382.57 2830.37 3605.89 1683.76 3058.11 1894.85 6822.63 639.44 2016.91 1458.58 4722.69 4885.89 667.95 1755.87 1511.43 3667.69 4698.73 1836.67 1089.09 1124.98 1887.81 2287.47 1899.21 1938.79 1590.23 3354.17 1193.88 3825.43 1223.07 878.35 2101.59 1313.1 1694.35 1287.77 1709.83 1507.87 681.62 609.31 1757.78 1554.94 1477.13 1528.67 1461.21 1465.91 973.69 1442.9 1452.18 Chlorotrianisene 366.64 2699.36 341.82 1002.88 4837.95 3705.86 3986.26 4072.74 1908.14 1949.22 5172.92 6857.69 3505.71 1904.64 616.62 2123.07 1525.64 6960.46 8985.95 11456.26 1917.04 1351.35 415.87 1107.12 1705.56 1755.28 738.47 421.8 1346.94 1369.44 1277.85 1684.34 2058.04 399.55 1080.68 1713.18 858.51 912.13 456.29 817.72 3957.04 4307.11 1817.19 2462.2 1703.02 1591.59 4681.57 790.59 840.09 5424.91 589.18 959.48 1656.81 1663.18 1977.29 1061.01 696.62 931.45 6292.16 1724.8 3595.52 2427.88 537.66 2956.65 2231.72 4026.95 4042.8 601 1149.52 842.65 2712.32 2522.51 1914.09 688.98 4647.02 2804.69 2619.91 2776.78 1880.64 2599.49 2485.28 2752.42 2775.68 2533.88 4-(3,4-Dichlorophenyl)-2-hydrazino-6-(trifluoromethyl)pyrimidine 2338.45 692.43 1707.5 4241.62 5078.47 5263.39 3848.7 1854.43 1036.29 4396.62 1791.25 7371.6 7856.88 4907.47 802.41 3148.45 2336.04 3117.57 5368.21 395.01 1598.56 2127.81 1702.55 337.29 1393.59 947.47 977.4 959.04 1572.14 1243.57 1354.54 2211.81 1183.01 261.86 1071.53 711.39 1321.94 810.68 3399.23 938.18 3961.27 4256.63 3371.5 4488.38 4592.61 3515.5 2243.19 2478.2 1938.4 5474.18 2409.09 1283.67 4026.2 3236.96 5625.85 1889.54 996.38 1359.05 2248.41 1552.82 3810.53 5414.66 713.78 2645.23 1086.09 5582.44 2805 4761.48 4069.56 1035.49 1546.64 3277.18 1690.78 2970.36 3949.76 8622.25 8292.87 8682.06 8751.89 8087.81 6528.61 8783.32 9538.29 5948.61 6552.58 5522.07 6825.64 7158.88 8163.55 6031.41 6729.08 6410.09 7334.7 9457.29 7330.33 6591.0 8256.04 7136.61 7087.89 10610.54 5218.58 5179.42 5165.38 5239.18 5246.64 5246.27 5177.24 5155.15 5077.61 Phellamuretin 2749.24 2067.61 1925.11 7128.51 3725.59 10713.27 5541.79 4348.97 9270.64 4347.32 4290.51 7805.72 2352.82 857.28 3641.89 4000.21 4780.64 3701.63 936.6 2933.16 2109.75 6616.11 4840.94 2132.92 2396.36 4836.96 3249.3 5473.61 2001.46 2504 3404.43 5914.25 1013.62 3566.74 3737.08 4225.42 11513.86 2868.77 5449.75 762.83 7621.53 5118.99 5275.44 4514.89 1737.89 2176.7 2394.78 7796.92 4364.75 751.41 5427.43 3736.74 6469.42 3976.68 1778.57 2788.68 4616.45 11146.33 4583.74 4147.91 3703.24 1080.21 11358.8 5433.04 11795.01 1605.43 3145.81 1259.41 3124.13 4978.18 600.42 7032.93 17780.71 9847.24 5737.23 4740.76 5165.06 5305.42 4567.89 4462.73 4666.71 4777.17 5296.29 5166.85 Flavylium 2587.73 2029.64 1079.24 530.09 1468.6 2372.03 1656.28 3893.54 2820.73 1841.25 763.45 1738.86 1228.71 1287.07 808.86 451.14 730.53 2031.03 1352.79 3584.24 2892.08 1537.81 1832.05 806.19 3263.73 1870.96 827.81 1312.74 2350.49 1040.73 3398.48 1140.99 2619.81 1132.96 1435.57 1867.79 1533.38 909.42 937.93 785.17 3793.04 3914.01 921.61 627.74 1283.88 1421.07 2938.43 2242.55 781.45 1889.81 2545.61 2254.92 585.1 1818.23 1641.41 1902.55 994.34 1528.61 1760.33 2361.39 867.24 1136.99 2141.54 1522.26 2083.61 1747.95 4374.51 1890.01 769.88 1649.51 2373.57 1962.8 1227.52 2062.91 854.54 1846.36 2052.68 1733.34 1780.26 1663.55 1749.02 1779.34 1835.76 1740.6 Metipranolol 510.54 391.75 807.62 2608.76 5306.91 4365.22 3767.07 784.76 517.31 370.79 489.76 1343.47 2963.94 937.57 631.96 7805.78 3077.71 619.97 1011.33 743.18 602.78 1125 666.04 358.8 512.89 540.65 388.88 228.92 641.07 299.78 393.05 660.79 446.18 464.95 2033.47 691.41 389.26 299.25 589.14 303.7 2534.51 948.79 544.44 420.38 218.33 3361.64 283.65 308.35 411.03 1223.71 1581.48 380.45 616.35 1136.75 1691.71 425.22 541.02 421.58 444.96 1370.56 506.56 512.08 336.6 1249.1 464.5 800.42 749.99 556.81 368.26 504.85 223.09 400.11 562.85 854.05 1732.12 2168.07 2358.78 1825.52 1877.27 1872.32 1840.68 1754.54 1973.64 1970.4 spirolide C 1197.48 2979.8 1107.97 2070.41 3390.63 996.12 1074.82 1595.12 1588.23 2504.66 2164.12 3425.37 955.88 2990.26 4633.51 3286.13 3798.96 4430.37 3089.58 2772.67 1749.75 1609.61 1175.06 1145.16 1671.17 1523.79 888.69 1200.51 1997.97 1606.71 1971.1 2286.09 1518.72 1045.62 848.43 688.43 1865.15 1838.67 1231.27 987.67 3859.95 2994.61 556.26 1311.21 4455.04 2627.6 3911.37 1807.06 1183.6 3701.89 3141.72 1480.78 1807.19 1560.7 1888.14 1504.17 947.88 1115.98 2412.73 1025.2 1070.78 601.45 1313.55 1842.96 1107.47 4322.59 2335 1910.4 990.57 1336.34 1957.02 1162.47 1766.02 1914.35 1151.08 1527.55 1574.85 1510.95 1405.86 1193.58 1284.84 1511.12 1432.29 1416.5 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one 6171.73 1387.66 13710.25 17066.84 12617.48 25819.58 24732.37 11024.14 12248.86 6480.51 11148.65 12147.03 26119.89 18242.82 9960.65 11632.34 14129.63 14261.78 19125.62 14812.91 12877.13 67164.06 25481.37 23992.3 2742.62 7999.27 22781.52 22306.15 10704.06 88961.07 14760.57 61534.15 3294.28 34711.77 47131.22 5619.53 6984.76 19495.6 23239.82 25043.83 39297.96 15768.07 22391.79 25194.75 9427.14 27376.67 1370.49 13661.67 5381.41 16682.7 9071.96 969.9 25548.66 31450.52 21184.19 5008.35 36672.77 46295.28 4562.24 35198.26 12939.26 19869.84 1800.07 20822.43 8220.26 11316.76 661.16 7886.34 10529.19 9979.65 9686.38 36043.08 22827.5 37581.41 19705.41 17264.14 17377.4 17263.25 17264.29 17330.27 17336.67 17194.11 17302.44 17345.86 Kinetin riboside 6837.06 6124.88 2364.08 3157.57 7300.04 3696.15 4104.96 2456.17 5053.82 3206.56 3596.08 3386.12 5885.21 1097.06 1607.1 5156.39 3651.04 4150.83 1680.14 3153.78 3961.58 1265.33 784.87 2216.94 6424.59 4203.04 1719.3 1243.35 1785.03 1071.69 2471.9 3846.22 3481.56 2917.89 2504.23 3072.49 2755.45 1047.19 2763.56 1374.21 4978.48 6339.93 1230.93 2349.06 6766.39 1987.36 1937.65 2689.75 1284.03 6027.17 4602.43 635.54 2459.25 7252 1941.09 5561.12 4127.98 4003.08 3878.45 2580.36 3711.07 2451.83 6101.36 4693.98 5467.92 2721.99 7333.49 1956.52 2952.96 2990.62 3094.95 6052.98 2850.89 1608.67 2329.72 3245.78 2962.05 3076.13 3125.6 3295.62 3185.67 3308.08 1439.21 3502.34 Val-Ala 3434.34 2556.07 1464.61 3232.27 6916.28 3245.8 2685.62 3355.1 2812 4076.47 3333.5 6219.46 9612.59 4051.59 4130.64 3122.22 886.43 3305.45 5468.83 6204.93 2208.55 1472.85 2703.88 1785.66 3255.27 1608.27 1503.23 1616.55 3404.74 2028.41 783.32 2036.03 2017.53 2583.61 2182.87 3556.42 2155.62 814.18 2118.54 1829.67 2638.92 2836.62 2526.93 4393.82 2104.65 3887.91 3088.26 2869.26 3259.31 3734.65 1642 2261.98 2208.97 3102.76 1808.17 3354.2 1815.85 1867.5 2000.87 1178.49 2577.56 4398.63 3217.75 2398.01 2848.99 2042.9 2043.01 5143.31 2913 3350.15 807.9 2711.1 3660.12 4051.25 4467.26 4141.98 4004.13 3892.49 4073.38 4144.45 4140.81 3377.39 4011.19 4176.8 2-Amino-N-cyclopentyl-6-tert-pentyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide 3821.44 3354.72 3574.38 1335.84 3380.63 2009.82 4443.09 3143.09 4128.13 4825.78 3797.01 2693.54 1681.56 1314.21 1863.29 3134.3 5050.73 2340.62 4404.15 3553.24 2150.75 2198.56 1026.63 2751.29 2274.41 890.23 1245.83 1061.45 1222.07 2678.92 1202.19 2240.21 2105.77 2216.18 3057.44 735.3 2112.41 1507.76 1326.79 1209.84 622.39 2727.34 2562.04 1629.08 4036.41 2959.95 4183.68 3238.67 1691.93 2658.85 2943.03 1409.37 2788.91 1152.69 2365.02 1307.19 1521.34 3345.13 2595.77 4044.67 2110.95 3899.71 4206.49 3646.92 2599.01 3366.92 1170.6 3468.82 2084.29 2962.34 3971.37 4535.89 3118.1 3358.66 2736.04 3034.85 2868.03 2736 2747.33 2759.52 2727.77 2829.55 2762.61 2982.34 Asterina 330 1032.96 1253.84 1556.73 1915.84 678.8 3386.51 1422.49 887.83 1897.07 1365.32 636.16 2033.78 2304.53 572.79 872.94 2535.54 848.4 1493.87 3685.7 740.85 434.35 1015.42 1617.09 509.9 1243.77 442.79 632.06 511.69 2434.78 870.61 358.56 1321 496.97 349.01 738.17 484.97 593.64 726.11 615.18 663.65 579.05 2170.81 1320.15 650.64 1105.8 1522.66 1845.81 2042.13 861.92 2485.19 808.99 1377.28 1012.7 580.54 705.27 1649.29 1027.33 1717.92 818.88 1367.71 900.3 2137.29 952.42 749.5 2880.66 2474.37 1070.16 1204.87 1191.61 548.64 1505.14 2956.07 1174.65 2334.56 2300.28 2012.74 1820.42 2014.8 2126.28 1973.7 1877.78 1871.47 1829.85 1768.29 4-Hydroxyretinoic Acid 961.55 1095.74 1645.73 572.71 1185.63 786.07 575.65 4296.59 1495.54 2353.13 1749.19 466.66 1006.41 3058.93 954.07 1496 2255.95 549.19 1511.72 1205.13 2488.26 1603.83 500.22 1199.02 1349.06 3659.25 1535.46 1040.21 1652.06 1631.07 1260.49 852.29 1362.81 1539.99 452.02 1522.54 1489.07 1545.23 1220.8 510.73 1393.58 1103.27 1351.05 1497.09 1329.52 748.49 1144.9 1585.85 1102.06 1090.12 2186.4 2392.19 1455.78 2051.67 1322.44 2242.94 2431.55 1529.53 1487.34 2560.73 1426.21 2401.13 1681.83 547.76 1340.1 1069.24 1670 1074.31 1248.39 1700.68 1450.61 1166.01 872.92 710.82 1233.76 1374.55 1494.68 1574.19 1875.93 1557.76 1459.95 1422.96 1518.48 1581.65 Tetramethylammonium chloride 515.99 1687.57 826.73 1514.21 2493.72 3257.5 2105.55 2097.14 1391.07 1227.31 927.14 779.78 3209.79 1939.33 3276.73 2503.63 1733.1 3071.79 4092.01 1103.63 655.71 905.99 835.07 968.28 849.92 1679.75 681.66 543.78 1512.41 965.7 385.05 1313.86 1848.53 699.46 831.71 984.11 1105.53 406.73 1191.33 945.37 703.95 769.71 1654.76 2372.43 1775.52 1834.3 1972.1 2173.96 800.88 1908.42 664.05 1516.8 1431 2034.38 1817.53 2178.97 950.91 606.42 2087.74 1486.95 410.79 2109.61 1449.65 2155.63 1954.82 1720.19 1240.15 2283.08 1713.83 2152.76 2574.26 799.35 501.02 1958.87 2564.16 2172.35 2229.86 2229.51 2229.62 2235.96 2063.08 2190.34 2175.87 2173.51 3-Hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate 1842.97 1516.17 1253.79 2198.18 4051.94 6985.34 4057.25 982.11 3265.15 1235.96 1749.48 3474.78 2340.71 1779.7 2287.78 1388.11 1715.19 1682.75 5541.3 2999.39 2005.06 896.94 1398.09 1532.06 1200.81 2489.39 529.18 1337.69 2836.58 1991.64 923.74 4312.82 804.65 783.46 2029.07 1221.23 1348.87 442.05 1057.66 1366.96 994.97 2433.28 2118.16 2532.57 3005 4503.1 2314.59 3624.6 2103.21 1436.87 3268.82 2004.25 3493.88 1800.71 570.92 4646.58 1450.05 1262.58 841.25 1383.11 1227.28 2308.22 1336.32 4674.55 1024.01 2943.9 1391.28 1917.83 3960.25 804.17 3079.43 2506.03 4067.9 2655.66 447.12 4813.78 3646.83 4025.22 4232.96 3611.1 3681.22 4099.37 2661.81 4190.65 N,N-Dimethyl-alpha-methylcarbamoyloxyimino-alpha-(methylthio)acetamide 913.57 3097.3 1378.78 1316.01 1360.57 1414.84 935 1366.46 1438.16 3446.46 3051.26 708.38 1746.21 1200.26 1630.69 1064.64 746.96 2414.51 1111.74 4105.4 1780.68 9747.24 1509.17 1290.69 1371.18 2035.54 1409.35 818.91 1586.41 1614.82 5647.94 2217.14 1984.62 974.17 1376 2667.3 1713.67 2265.2 1218.28 1390.71 3494.04 1550.06 1274.09 2097.62 2941.46 793.88 1604.72 1236.33 1696.11 2288.28 2311.04 1309.95 1253.63 930.42 1096.79 659.3 907.9 816.66 536.97 1816.81 1648.34 561.48 679.46 1464.62 2559.12 891.39 3109.92 1235.05 745.52 592.87 968.47 1197.48 2503.53 1160.14 1568.35 1719.89 1539.99 1020.9 1764.08 1528.67 1655.61 1698.41 1991.48 1713.88 Aspirin softam 1370.02 4210.56 1429.04 3381.2 956.64 3203.67 2062.87 1383.44 1822.62 1376.81 2316.98 2462.8 1458.24 1639.54 3189.69 3780.08 1791.99 2173.34 1164.64 4085.19 3829.35 1483.69 998.9 5866.43 922.19 1183.29 2214.28 1696.29 855.4 542.17 14423.82 1651.73 3888.26 2568.85 1319.3 1000.12 3220.87 1198.25 1511.58 3986.37 501.04 1716.31 2661.03 2364.55 2790.96 1184.6 787.2 2423.5 2381.94 624.01 2583.84 1275.95 2383.28 3968.03 4731.18 1288.31 1010.54 3232.06 1430.62 8604.77 1771.2 941.11 5361.64 1910.52 2297.03 3820.35 4155.37 915.27 977.89 2228.86 1662.22 1571.24 1801.92 4392.74 2401.79 1933.02 2012.61 2116.97 1897.2 2146.51 1989.66 1921.8 2160.23 2195.91 Milneb 8859.51 2592.26 7086.04 9574.55 5496.74 16161.85 5452.89 13390.04 13187.69 14223.72 10506.21 13897.29 10271.89 7121.46 7368.08 8007.17 20632.69 20111.03 15179.3 12498.6 3694.36 505.66 2708.33 510.95 10053.53 9387.83 2700.89 2182.46 967.75 2100.56 3011.02 3193.48 2167.06 2982.8 4883.68 3442.9 8358.35 2226.69 5839.55 5407.86 10700.22 10809.93 9760.46 5267.11 10921.94 7926.79 4265.21 3355.47 6238.8 11245.7 6020.6 4618.75 12195.71 6748.3 14643.75 5239.81 4888.23 6538.33 7205.31 2792.03 11639.06 8568.26 7845.06 10103.63 3868.54 12780.86 6244.36 4507.26 11076.02 1820.12 7591 8487.29 7672.7 10048.09 16331.65 7243.22 7737.39 7082.86 5273.07 7729.55 8041.48 7077.94 7214.47 7837.07 Unii-8wxu5yre25 37102.34 13124.67 7464.12 30235.87 7492.79 2555.74 4081.85 5305.56 5199.06 11178.13 11083.48 8491.05 7105.9 9280.52 24148.88 3913.14 45895.42 5253.95 16663.88 12287.41 10447.3 9308.05 6819.29 14090.77 10409.59 11539.47 11395.41 14596.4 46265.46 8040.25 10772.76 9230.2 8609.35 10220.93 10705.62 12612.95 15786.17 4533.55 11593.09 14043.81 6924.35 14246.82 9198.52 12315.34 11500.52 8047.13 3302.68 4340.81 5783.23 8072.29 11994.16 14258.8 8808.74 13744.55 6442.45 7083.57 14100.79 13781.46 7355.04 4364.26 13144.4 11822.68 5594.64 4927.31 15258 4787.54 8251.14 12437.76 4029.23 6541.2 6915.7 37342.93 12077.86 7853.15 4313.05 4650.59 5803.26 5741.81 5548.43 5749.09 5747.34 5539.92 5736.09 5540.39 Tetrahydrocurcumin 1269.4 1075.65 1658.71 1835.95 3281.98 1889.02 4615.52 3669.05 4864.77 3440.78 729.86 5190.41 4779.72 1715.63 1202.85 2701.34 1816.11 2482.91 4444.24 2241.69 964.32 646.49 876.89 912.55 784.36 729.62 819.65 852.43 1253.88 851.17 1036.12 1312.87 628.48 736.13 688.64 1132.35 723.62 349.42 715.01 601.08 549.21 1041.19 824.02 685.41 5684.15 1666.43 2782.14 741.09 514.97 1636.75 1449.92 1939.76 591.57 785.22 3720.1 3666.96 1167.97 1788.16 800.88 1512.8 1340.45 487.39 755.33 1528.32 1961.04 1948.56 1483.86 3229.03 919.38 1250.04 2015.87 3128.97 461.69 1284.47 1660.53 1940.38 2005.09 1973.24 1735.4 2035.22 1598.35 1950.59 1826.07 1957.1 N,N,N',N'-Tetramethyl-p-phenylenediamine dihydrochloride 3860.05 3250.21 6016.16 3494.02 4223.02 5014.65 4965.57 7248.51 10924.68 1900.07 9029.92 4868.64 5172.1 5972.88 7440.64 3508.15 4212.85 632.95 6395.03 10519.06 2672.73 3760.21 4846.7 605.23 5407.32 3621.61 2130 2147.88 5646.14 3816.62 3264.65 7791.69 1178.93 903.72 850.4 5965.55 4762.91 1022.05 4840.31 4300.11 10945.53 13290.92 7633.19 5228.67 9735.51 9808.37 11359 9291.8 3273.87 12254.77 8026.45 10796 4354.9 5261.39 5086.38 6937.48 2817.73 5355.46 11364.24 6107.03 3191.39 3864.64 5965.12 7205.64 4825.18 1967.99 13678.26 5905.88 6794.36 6318.54 9237.28 6349.19 5286.63 4822.15 4620.87 4788.11 5214.12 4756.68 4860.61 4531.55 4296 4570.65 2680.81 4761.44 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose 827.77 1498.17 946.11 707.97 4594.84 867.71 1685.14 1564.19 679.04 1390.17 1459.94 2260.87 1344.85 1576.05 1301.17 5153.23 832.62 835.4 2979.18 564.84 488.86 1431.46 1180.98 866.04 1836.9 1559.56 525.09 917.35 1727.76 2302.84 1564.52 4205.64 841.53 6194.24 1219.13 506.44 1069.16 743.71 872.94 465.26 1714.69 753.66 1043.72 478.11 929.75 2761.1 379.95 1320.41 637.69 4897.24 910.74 989.09 604.81 1004.03 1686.11 1618.4 524.34 425.22 2144.76 1123.76 732.35 634.24 507.23 1151.16 479.8 505.44 3873.18 1246.62 1292.56 851.36 714.01 1444.44 4047.38 1802.8 1289.46 1771.76 1776.66 1772.54 1398.5 1613.21 1573.72 1984.09 1024.52 1751.32 N-Demethyldiltiazem 330.18 2892.49 443.56 1221.23 6323.19 2671.76 3101.6 1426.13 1527.82 1880.33 1261.36 1719.55 3283.93 1380.62 742.24 1654.02 475.8 3810.95 1562.8 5963.94 295.68 860.83 1025.79 810.76 1271.05 782.15 854.24 1238.93 1495.49 651.42 1018.97 1142.98 629.43 995.63 1014.92 2390.15 424.58 602.21 1312.71 596.8 2356.73 3047.41 2550.54 1762.89 1635.34 2273.15 767.24 1209.1 1099.08 717.55 1745.3 827.07 582.72 1893.01 899.85 1554.6 766.46 935.38 1781.74 1389.49 2005.08 1666.62 2171.5 442.37 1813.23 2029.09 558.65 2394.1 2826.57 2536.81 677.42 4298.16 710.44 1563.53 1870.66 2403.79 2232.93 2350.18 2094.3 2713.5 1427.6 2384.55 2173.11 2382.03 7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 962.68 1758.43 1374.8 1158.35 723.87 1960.19 1720.5 1952.99 1222.18 2059.04 828.97 1257.06 2009.9 1607.73 1567.75 1645.17 1226.94 1268.95 1534.98 1071.41 375.93 837.38 574.42 1742.82 1576.32 1033.69 660.15 354.26 2063.41 1640.4 840.09 2030.01 552.24 645.46 474.23 940.29 464.36 657.19 1729.76 849.28 1812.7 1754.1 811.67 1580.04 1463.94 1124.23 3511.44 1939.35 932.02 2033.55 428.86 1163.93 530.14 1140.63 660.27 1937.1 1160.53 944.56 1942.26 766.06 744.01 1960.53 1112.87 812.73 924.98 873.83 952.97 1486.22 2328.49 1016.55 839.82 1968.99 388.12 1395.65 1828.57 1767.22 1630.89 1427.79 1673.94 1643.36 1836.93 1961.84 1786.62 1678.92 1,2,5-Oxadiazole-3,4-dicarboxylic acid 1565.1 595.88 755.19 2289.23 2194.23 1268.09 1324.03 1621.98 748.47 2991.77 738.16 4306.57 9828.69 2437.03 1352.47 1162.22 958.99 1728.84 2330.7 1132.69 577.23 976.14 1132.23 411.11 774.88 773.19 607.93 358.34 793.97 4311.16 369.56 874.2 328.67 582.97 518.46 2013 610.05 539.78 1528.93 539.41 2764.64 1528.71 1116.87 1665.39 2249.5 2281.48 713.63 1642.24 1091.27 1879.46 524.95 1247.69 1363.71 1875.17 3339.74 2033.47 487.66 562.69 1487.64 988.02 3902.67 3236.06 422.55 610.22 919.38 2945.44 800.3 4169.95 1909.53 489.64 983.44 802.51 908.28 1248.8 3104.06 2050.1 1980.48 1946.81 2041.46 1508.48 2050.13 2048.35 2022.99 2078.29 Bis(4-fluoro-3-nitrophenyl) sulfone 857.22 430.76 969.07 2535.96 794.03 1232.24 913.21 591.79 270.5 670.05 478.77 1422.02 5616.93 2217.07 346.04 244.11 803.4 1087.43 488.76 830.12 1174.46 518.95 453.68 288.2 331.45 438.31 336.82 705.43 590.69 564.32 728.58 2305.66 270.35 327.95 260.96 534.53 610.91 409.89 1646.46 242.01 1789.49 666.9 245.84 809 1740.21 1866.03 430.22 557.28 422.37 444.25 829.72 553.94 811.35 2104.74 3667.04 338.1 623.91 930.77 783.76 451.85 626.02 546.22 298.76 634.59 539.38 1041.87 558.76 1011.9 875.32 863.85 846.12 880.53 951.47 446.89 1110.63 68478.39 63484.25 63321.18 68107.82 73465.62 53231.83 71229.69 76574.51 58812.26 58350.15 53492.16 74778.25 65686.18 80778.51 52713.63 56656.34 68332.91 65273.47 83564.33 72013.98 68320.97 76001.63 62175.81 67366.03 76291.49 1446.36 1596.84 1428.32 1545.62 1643.16 1890.39 1420.4 1578.39 1432.8 Sialyl Lewis X 1904.36 1686.83 1635.3 2591.1 2669.01 976.8 951.25 2656.06 3990.57 1819.1 1813.98 1139.07 1432.69 2319.96 1237.06 1492.56 742.18 502.9 1178.22 1034.46 1564.15 346.45 1736.28 1678.38 2015.41 865.61 364.65 1656.3 4246.3 1246.95 890.65 3929.05 790.82 1863.87 1132.37 2733.13 1824.86 676.89 1172.56 487.53 2728.53 2888.32 1455.29 1629.17 4759.72 2286.82 734.67 2999.93 1075.42 1690.11 1280.76 1829.1 5790.82 2674.83 1606.76 993.85 1712.09 732.22 1850.18 967.77 1405.05 2399.54 3038.12 703.49 1534.31 549.82 397.41 1529.61 2918.48 1468.35 2746.09 4380.73 836.39 1425.46 1489.91 1410.25 1922.05 1986.75 2229.18 1520.84 2147.49 2662.66 1722.34 2150.11 Dinitrosopentamethylenetetramine 4546.97 3626.83 1665.36 3296.31 4235.22 4057.5 3789.22 4989.15 5836.56 5669.98 5226.37 4422.98 3701.78 4936.62 4389.95 4393.17 4374.76 4386.07 4281.98 5643.46 3300.43 3040.72 2095.94 3284.15 2536.16 2214.96 2382.42 2125.35 3398.64 2397.74 2458.56 3338.93 2553.94 878.51 2818.25 3423.8 2591.45 3465.31 4592.81 2055.39 2533.99 3830.85 4951.64 5576.6 4766.6 3943.92 5067.88 6598.27 2928.82 4264.7 2509.35 4024.72 3799.66 974.39 956.38 3971.6 3137.48 4095.69 4105.06 3071.49 3441.27 4450.13 5387.56 2216.93 4840.45 3237.73 5158.05 5014.28 3729.84 4772.06 3961.38 5019.5 5038.05 2693.95 3715.13 52673.77 43800.01 30369.65 18153.06 27529.53 38263.61 54974.01 48460.85 12940.92 24118.81 35138.11 45583.99 45395.54 48424.29 17118.56 44256.7 20928.93 49910.45 71133.62 19689.63 41392.36 40793.6 29499.48 35734.48 34442.67 4462.41 4557.73 4464.68 4457.48 4402.19 4407.71 4463.65 4400.31 4281.46 1,3,6-Trihydroxy-8-(3-methylbutyl)anthraquinone 3972.3 3849.56 5588.35 8067.31 9732.69 6264.13 4736.53 3714.77 1114.11 1346.22 1473.78 2766.13 6197.67 4699.8 4673.09 9199.51 514.79 21010.52 11921.53 15254 3103.02 1082.75 4226.35 1266.62 3829.11 2718.64 2193.43 1807.21 2122.7 1157.41 669.49 1133.63 3469.03 7872.69 4569.46 4948.42 2145.27 775.36 1760.47 2585.37 8951.96 2440.16 793.29 2694.12 15813.99 4139.51 7646.45 2341.41 1956.13 9233.84 1411.58 2755.1 1482.99 6621.97 10728.18 3472.43 2422.46 6907.73 3950.7 10073.87 3404.7 741.19 3418.16 8525.35 2326.37 2386.16 862.43 2541.37 3534.74 4882.07 919.79 1644.67 2903.07 4868 4528.92 3120.13 3073.91 3232.21 3340.7 3335.93 2608.42 3387.36 3412.82 3377.39 Melilotoside B 12902.03 6982.99 5955.64 13037.35 7977.44 4449.6 31740.64 7649.05 9721.79 7245.37 4776.05 7216.58 1516.4 10154.95 14326.12 9990.57 15152.86 10283.9 19522.65 5714 7001.92 5750.06 4630.57 5581.31 3989.59 9961.29 7211.65 4364.08 7878.74 4761.46 4022.02 3390.79 6985.9 7033.73 967.49 4718.08 6169.36 3458.99 2575.52 4617.19 31783.72 6738.38 7414.01 4503.44 9497.96 16364.79 7478.53 2834.8 4564.47 10001.51 11107.65 3825.85 6427.94 8440.29 5235.51 9371.98 3583.24 15206.03 6447.32 11760.36 5930.28 3060.19 3760.16 8065.96 9089.06 4838.84 8295.49 9250.3 3017.56 2135 10042.92 16646.75 8531.13 12271.69 10361.49 8644.32 8620.88 9043.68 9090.45 8524.32 8648.56 8507.4 9101.51 9135.35 Eleutheroside C 1538.19 1082.87 1681.08 890.55 3838.41 2879.32 3806.54 2035.08 2960.58 1033.2 1390.68 1119.24 2874.36 1575.78 1452.5 810.19 564.16 1840.8 2481.77 1047.47 1136.75 1816.11 1312.81 1276.04 1293.81 888.33 818.96 1158.57 507.24 849.57 574.13 792.09 479.82 1116.72 1679.86 1356.74 1260.52 995.25 1351.52 1198.62 655.86 756.41 1356.45 1420.34 3961.4 2237.39 801.03 2390.93 544.19 534.25 1049.02 1481.93 635.19 1895.36 710.21 1365.64 1518.93 2548.52 2225.86 1253.14 1445.24 649.32 1520.09 1576.74 2281.67 2738.38 512.35 1215.76 492.21 2486.51 3990 1423.38 5483.36 572.95 2313.41 1216.59 2564.38 2166.85 790.75 1970.4 1510.88 1063.46 1420.98 1992.07 1708.84 742.18 1516.31 1381.38 1779.4 1278.29 1374.55 1331.24 2480.64 1816.73 2502.66 1678.66 1408.64 1672.9 1824.81 1619.75 1490.32 1922.6 1325.15 1354.89 1454.22 1657.42 1806.87 1593.54 Coralyne chloride 1001.26 1526.69 1687.16 4904.48 4420.11 4164.82 5409.25 5526.82 2031.69 4118.92 1494.94 2365.88 2498.3 2829.63 4683.89 2258.92 2864.43 6615.8 4309.43 10551.57 2184.33 2153.21 1481.96 1619.77 2367.12 982.34 580.41 1157.93 951 1733.97 2148.04 1394.69 1443.24 1515.73 1168.22 830.69 593.25 870.41 5232.76 1044.9 3592.76 2446.81 2232.05 7161.38 5009.95 3505.69 10103.57 2284.55 682.05 7119.08 1280.2 2451.45 2407.6 1128.91 6806.4 5579.92 3386.74 1959.82 2521.96 514.68 4546.02 937.74 2880.19 2489.71 4495.88 3819.56 7238.56 2849.89 2495.35 3528.82 2720.58 1582.35 1852.97 4592.4 5435.93 1976.9 2901.44 3919.69 2025.48 2936.79 2785.87 2594.01 2800.07 2467.4 Aklavin 5351.84 1558.21 2275.86 1319.54 1265.88 2140.19 1447.98 4021.75 3327.95 3464.6 2928.12 333.7 761.28 2135 4030.71 452.62 894.41 3670.41 2724.78 2478.22 2130.82 1636.32 4211.79 1167.72 3020.02 1294.16 2192.91 1683.71 1127.31 929.32 1318.16 1204.49 528.13 1958.79 567.42 4300.76 2043.36 419.26 1628.24 1082.03 680.9 851.29 2280.86 1291.68 1903.31 1771.72 2166.83 2908.03 2456.21 1309.14 4641.19 2303.58 2826.32 1274.79 4528.65 3817.03 2028.85 977.79 3403.08 580.89 4553.84 1570.02 3989.2 960.11 1198.39 1966.25 813.69 3959.1 1539.78 1446.04 1086.4 1319.97 2165.5 753.27 1159.52 3087.86 3359.05 3449.18 3303.38 2947.31 989.6 3647.57 3381.93 2955.93 N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide 4949.26 3074.58 1249.27 7128.67 11590.13 12386.84 1545.26 4898.38 1685.37 5227.37 3624.36 5078.48 10196.56 5495.33 9580.76 8747.83 8598.55 10513.04 5246.44 8773.91 4795.94 1639.17 1047.38 1456.43 1591.4 972.96 460.91 1058.9 3433.52 3109.43 2002.72 2699.44 1556.24 2717.92 2390.73 1236.03 1166.68 746.19 1897.63 2496.9 3363.61 4552.5 2760.42 2231.87 3774.81 14299.27 9761.75 3032.76 3394.45 8568.87 875.3 3063.24 2532.63 9756.7 5095.04 6192.19 1601.5 1302.22 10231.77 3174.64 1427.5 3887.27 3887.52 4447.28 4998.58 4367.78 2286.48 5024.32 5086.26 6969.61 5196.34 4527.17 3183.15 5296.19 7778.23 4672.09 4536.53 4577.79 5054.05 5003.3 4040.22 4815.05 4952.61 5025.17 N-Acetyldehydroanonaine 5139.71 7620.66 545.23 4390.37 2752.23 5965.31 7957.84 13313.54 11060.84 10032.09 4841.92 9926.08 6737.72 3298.28 12404.44 12442.62 5496.97 6931.65 12577.9 10583.8 937.81 1501.14 670.7 2552.93 2423.81 1306.94 978.52 487.37 2913.41 2378.76 3321.6 2361.13 487.65 1422.01 2316.41 2239.76 4414.58 1676.59 4516.11 1827.22 5587.76 5205.97 5226.34 2701.01 8591.02 8179.03 11053.33 8853.51 2571.22 5259.89 3230.04 7620.89 5216.05 651.94 5607.48 2280.97 2431.28 2554.14 9046.13 637.97 9943.48 2543.16 4295.99 6089.53 3123.05 8493.78 5647.4 3949.32 5400.74 10700 8863.74 6256.59 5674.39 2951.75 5496.36 6768.56 6251.9 6706.01 6379.94 6756.29 6707.43 6628.2 6712.54 6426.26 12,13-DiHOME 67276.38 97059.78 256317.73 453446.56 337832.42 479178.41 472907.18 79233.36 52556.11 87112.7 76942.49 224875.86 499310.75 223785.31 119327.88 378766.45 384069.7 89984.05 165283.02 48857.03 61474.02 218958.5 190650.24 127481.52 35977.93 17699.94 26486.84 53706.78 104101.32 41542.45 49330.34 104165.18 53034.48 81187.9 74577.18 45491.92 40183.76 30878.49 88743.84 38665.21 106725.58 76172.92 73921.04 246660.7 91237.17 249712.73 36663.23 114187.39 84953.69 233687.43 48797.22 127262.73 72217.76 147438.72 121881.21 170504.91 374638.32 121878.47 45549.85 215982.48 282483.14 317492.36 90723.49 174615.67 71300.93 172797.8 137596.82 127322.47 143011.36 44790.45 60612.61 63495.24 105562.35 205275.83 207123.49 9442.48 19797.85 17569.41 21573.65 12771.63 50500.85 56704.13 23960.21 25555.22 21847.03 36227.97 22556.43 37739.97 21073.99 25357.56 24182.91 25266.88 19826.62 13651.42 12357.08 23064.94 18387.69 22566.92 22640.33 14480.56 183428.73 183360.11 198705.69 183205.2 182860.9 182956.71 182513.8 175015.23 179528.1 19(S)-HETE 13549.01 35022.66 29973.97 17463.36 39033.66 75301.29 26473.81 33755.98 28878.57 20660.1 16401.52 58696.76 18620.47 20466.88 39822.8 27699.91 32567.5 27143.43 24555.11 34719.83 61716.64 24480.5 32953.56 24326.49 64396.34 31045.77 13882.23 15376.55 63163.22 11939.18 7555.4 16252.02 70542.32 26966.35 20679.8 59931.56 19377.33 13294.23 18745.83 12052.14 19407.44 23359.32 13085.2 12127.33 29445.2 16803.2 14829.14 43869.54 13046.47 11711.79 16336.05 37151.4 14568.96 18239.14 68523.09 81419.15 17238.22 24300.77 81208.67 30429.29 24575.39 18988.11 40908.93 28139.92 18631.95 55158.27 40018.42 15132.96 15054.68 61957.6 29033.27 22937.57 12243.43 18970.22 11556.68 32500.73 32721.14 32728.06 32722.87 32720.55 32346.86 32500.28 32434.18 32664.12 Sodium pantothenate 23875.85 30484.48 91212.08 101783 70384.63 27110.63 83827.26 28106.76 32313.53 19831.74 60458.08 39842.51 76035.72 67477.08 70159.61 80756.84 56829.64 76564.74 37690.94 26948.51 17515.15 5142.37 25229.4 34899.92 23420.38 10246.86 9044.49 12606.09 17722.54 10075.33 13532.72 14761.69 14464.15 32518.07 41063.47 12120.19 34515.88 5409.46 60641.46 27280.4 24133.23 16931.73 55298.28 80314.29 33159.59 65817.88 33045.46 13829.6 11838.66 39028.54 22755.8 66666.6 69130.17 89827.36 78506.47 73768.39 169929.96 144285.15 43673.76 23682.55 100674.91 65854.54 104163.26 164729.25 97848.54 59777.65 69291.73 46089.2 55406.07 52480.78 32026.3 38163.93 100004.71 138633.16 118711.06 99703.69 100758.07 99866.08 101550.68 82096.88 103684.92 101794.32 88099.87 100531.59 111687.79 92558.94 89227.12 92960.72 84069.1 53684.06 79701.85 109629.02 119291.18 84155.07 106665.21 157154.27 104052.68 101701.4 78773.98 89597.31 59500.08 60621.82 60333.53 59564.52 60616.61 60542.25 66671.46 59335.62 59892.45 Avanafil 4132.06 3967.12 1821.48 1849.37 5791.02 14756.86 437.28 35360.79 17330.63 15324.3 11528.18 20705.89 991.69 18487.04 39431.37 15462.19 4392.26 63050.47 46866.99 60592.95 9498.72 7728.25 5812.77 5638.74 6427.54 7990.87 1459.15 2708.88 8348.31 8410.5 9285.27 34276.11 14596.35 2559.5 2771.59 2495.92 12043.15 770.42 2233.53 2505.75 5767.32 4439.13 16088.18 6979.52 23997.57 10308.94 18135.1 14696.88 14666.75 25999.33 3067.42 20253.24 8075.39 2239.62 5990.8 19178.9 2005.98 8987.56 21435.65 10456.42 5491.34 1836.85 20253.06 16006.72 21762.29 12505.28 28988.46 7960.03 8833.04 32108.65 11153.13 19598.48 12451.08 3814.17 1906.65 15154.13 14875.62 14189.71 14473.76 15494.26 15003.25 15155.53 15028.03 12604.93 Olaparib 13192.3 11412.43 2158.43 3880.03 9334.53 4124.2 9124.19 19083.93 19303.04 28386.52 9864.17 19411.55 12399.75 10627.55 18040.63 4512.35 2176.57 22400.06 21431.38 15886.32 4922.21 1767.69 5428.69 4436.65 17910.38 6674.19 4821.4 12604.92 18569.06 8382.68 10840.19 13122.67 11144.96 8491.64 3552.44 10864.46 10909.37 3149.28 10385.32 3549.34 19244.11 17189.73 3805.59 9566.72 27579.75 7420.17 62508.61 16877.09 32766.16 24639.72 10822.11 8230.5 5994.75 7356.71 15087.7 4404.73 2272.51 5259.86 16281.3 4793.89 7872.74 16046.94 18172.7 5323.53 6369.92 15527.79 1249.79 22030.12 25479.02 13744.69 22621.88 12542.24 11505.29 8964.63 12571.21 18308.61 17464.13 18256.87 19892.72 17850.97 18331.91 18315.66 18316.12 17313.13 Olopatadine hydrochloride 18534.55 4831.33 1723.71 3428.77 35788.46 19165.04 1892 36590.87 26550.96 8227.79 20939.37 37814.74 24018.1 17789.98 25991.6 34534.57 15500.78 33532.6 30626.23 39234.68 19013.46 3877.32 6624.82 9141.37 12322.76 11000.26 3119.44 7393.3 22198.58 18686.15 14965.05 33439.22 13783.71 8836.52 6304.53 16621.55 18303.81 2280.22 10833.42 4373.71 42222.52 39140.02 13466.12 15277.95 38959.4 26558.88 14892.91 12426.91 22560.59 41805.76 26386.99 18449.34 14313.01 13949.37 21547.66 11857.94 693.24 6780.51 26343.78 7924.5 11452.57 10276.89 18723.94 17764.25 21990.28 30310.92 27962.25 21475.9 19813.58 27503.41 23932.71 22532.43 20949.21 9309 25326.72 27009.32 28052.18 27073.12 27044.11 29299.35 27348.63 27143.49 26781.05 27014.07 Ibrutinib 1813.74 4870.73 16932.59 3894.18 4125.21 5546.89 19336.87 5562.62 4115.49 91091.55 31260.55 803.84 4673.7 14092.2 14063.78 75123.93 602886.12 34718.88 4866.44 966.63 8185.64 9049.16 592.18 2466.62 1666.31 4906.05 4339.74 4480.56 6166.47 1435.7 8477.58 24230.92 115353.56 14797.48 5951.61 4210.63 6218.6 9301.59 6382.92 4460.23 15357.53 11977.18 6840.19 11111.94 8083.46 36904.04 45110.04 10161.08 8948.71 26246.05 24341.71 19185.85 13155.29 11489.99 8954.06 32994.27 689755.04 4647.25 82300.41 4240.14 11436.3 3892.06 10014.06 2691.42 6398.8 12712.22 3807.58 16447.47 9851.25 4908.58 4617.15 19337.46 5914.35 10035.7 6748.3 37542.96 37651.8 37328.05 37320.11 37660.77 37308.59 37781.98 36100.27 37358.14 Valnemulin hydrochloride 18423.25 7220.5 2205.51 2048.24 8429.86 4349.43 4144.62 14569.49 23897.21 9185.76 6116.56 8230.72 4986.38 5631.4 15740.86 11908.19 6322 13274.36 5892.94 31285.66 25327.2 966.34 5374.1 4906.76 12050.45 14323.3 8377.76 10483.24 14005.32 17381.67 22942.04 6817.7 6735.34 3768.03 1254.42 12427.84 14954.55 1951.33 4811.24 1703.58 35487.88 21666.68 5319.84 6876.7 30809.31 5655.66 24593.58 2355.42 2724.85 8470.34 21731.17 10716.52 6373.56 5047.6 10769.38 5512.51 849.2 1941.02 13708.73 2378.55 3854.88 5059.08 4480.37 2623.98 2778.48 11832.65 24467.21 6827.54 7541.66 19589.21 28850.47 1511.43 12454.8 3136.82 8639.52 8824.04 8961.28 9463.67 8918.55 9357.67 7957.32 11386.78 9613.02 8996.39 Pirenzepine hydrochloride 2865.38 1258.32 2833.02 467.57 3090.56 860.14 3883.94 2064.78 1327.05 10939.95 3304.42 2385.77 7647.4 2795.38 1952.45 10470.88 70529.93 2385.74 4041.02 2431.64 484.24 1889.13 816.65 828.34 363.66 1055.52 633.11 1120.11 643.17 974.26 3352.02 1743.49 15288.98 2165 1248.68 357.98 1660.17 1277.68 605.81 253.51 3044.49 2084.09 1594.36 2110.71 3894.35 6401.34 8472.49 467.3 1053.54 3535.56 3757.28 2328.38 1296.5 2864.43 1984.18 4492.12 48054.77 342.54 8279.84 1676.67 2445.45 336.31 1258.23 1122.76 657.66 951.82 3128.78 2120.22 2040.79 632.02 497.43 3061.58 437.63 1450.09 588.38 6476.19 6459.47 6467.85 6326.44 6390.22 6311.6 6279.95 6588.53 6402.02 (8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one 10867.71 13093.95 10179.47 8889.86 4781.71 12038.47 11373.28 16367.32 15847.4 15197.91 13929.71 22531.62 36684.11 20761.67 18772 23821.6 21463.05 15460.3 30781.89 17569.27 12298.34 9782.5 9930.31 9646.68 10043.52 10080.02 8295.22 11420.78 13333.32 8018.8 9623.78 18337.29 8897.33 12609.03 9868.81 8700.98 9290.21 3229.22 11524.98 6223.51 3252.75 26414.46 19470.11 11731.91 19193.09 31335.97 15364.27 7587.93 8419.17 22700.83 7206.44 13719.81 11619.89 16237.73 12194.21 12694.23 22600.86 12406.7 15175.54 11552.53 13522.41 15080.85 15174.35 21306.62 16484.84 13920.21 12878.57 15891.76 12846.95 13831.32 15265.92 18828.32 16941.39 17765.43 18476.81 23528.74 21839.73 23890.46 23014.87 23988.13 23883.33 23880.02 23141.89 23579.34 Indoximod 5463.07 8581.45 5588.28 13408.92 12638.45 24288.95 13234.94 7939.53 9031.17 6823.92 5712.98 6008.21 6839.28 5043.91 14089.33 50848.78 10583.12 9017.1 9842.11 13255.18 4545.31 9589.88 4311.78 4402.12 1680.73 10462.62 3765.85 1688.02 11708.64 4475.9 2501.97 6314.31 3267.18 3312.53 3878.09 2013.22 6374.34 2440.36 7070.84 4083.41 8558.45 11418.85 8496.38 7305.24 18360.69 18249.43 12069.24 7264.37 7642.9 27685.29 3783.89 9692.92 11191.79 14896.88 7095.27 7148.32 7350.5 5497.11 9676.07 18449.09 9302.65 7327.16 7090.9 11664.09 8439.85 17510.79 14762 5720.92 6469.62 6033.76 9512.51 10933.12 11123.96 19387.87 10846.01 14633.55 13672.17 15947.05 14620.93 14252.77 14470.79 14619.67 13350.19 14260.48 Panobinostat 14292.34 11576.22 2266.94 28086.9 9704.16 10078.48 14838.9 7064.08 15192.19 22813.18 4603.52 5950.91 3020.36 10840.19 16273.7 14375.23 26075.22 21628.5 35559.41 2579.48 4950.01 3392.61 936.09 5913.62 5413 2969.51 906.63 1119.62 8314.42 2198.26 4490.11 6976.95 1893.01 1075.63 4525.91 1372.13 3861.98 497.75 812.12 844.3 12660.46 8164.26 5504.18 11202.36 18781.72 3826.85 13667.25 5552.87 1292.79 9105.94 12309.02 5593.7 3250.98 6405.3 7319.38 9009.64 3160.09 10546.19 9643.96 9415.71 4426.85 2882.37 25520.42 8531.33 10727.18 11195.49 13317.98 3756.13 7175.9 9996.94 10593.26 20868.1 3842.53 12322.92 5120.08 8424.34 8687.71 8425.59 7986.77 7373.47 8540.7 7964.87 7622.65 8429.56 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid 25178.82 30975 557.69 557.69 91015.34 51686.98 7691.62 62118.51 31986.09 10709.42 9536.35 152424.91 1396.3 12125.18 62772.14 2677.36 15780.79 67144.13 25074.09 31512.57 126994.44 36090.96 1090.42 10827.14 87071.44 53562.75 637.43 7762.08 62422.52 38981.16 10443.67 60607.26 69286.14 878.05 8600.91 133908.99 36594.92 15398.79 801.69 6152.29 41407.4 88145.11 4668.34 9488.32 78432.1 996.82 109215.26 102148.69 1758.6 3912.55 86881.76 54530.57 15763.93 9441.21 82435.49 56884.81 12089.49 6615.95 110766.85 48499.19 11386.31 2416.33 38759.16 13232.1 13374.74 68746.3 37158.46 10571.65 12001.48 114192.08 31196.32 23006.6 9740.97 663.64 9896.24 38130.84 38223.62 37668.02 38219.05 37839.32 37868.7 35259.38 37544.28 37586.35 5-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-YL)-2-methyl-pentanoic acid 6423.65 5056.12 4730.6 637.8 2731.59 3042.45 2506.44 8060.84 11142.09 7616.68 4881.78 5730.62 950.69 2498.59 9030.11 7193.38 1827.31 6913.49 8863.26 6314.3 4623.83 3939.77 1644.81 1632.86 5773.31 3573.57 2050.98 1685.22 3792.34 4051.4 3206.24 4427 6887.7 3369.71 1101.82 3750.24 4126.3 1336.86 2513.57 2535.09 864.19 7467.87 6014.2 2711.57 6123.99 2133.96 11706.91 4785.06 1068.02 4038.23 2681.27 8526.55 2847.3 1997.98 5602.41 5504.49 1155.51 3874.73 6666.88 1765.84 2194.89 1772.09 4932.08 5640.11 5482.19 6767.5 11435.35 4198.35 7629.71 8679.71 9179.56 7209.71 4118.52 4053.26 4340 6996.9 7489.83 7247.75 7543.64 7137.29 7208.5 7493.76 7488.92 7509.32 (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one 8929.59 11024.46 3372.9 16015.93 4605.25 31449.71 11442.63 6241.73 7434.98 14331.92 5510.22 12389.69 23361.77 21108.43 11628.43 8276.44 11567.78 17072.64 12271.28 11661.22 2420.85 1317.53 3101.2 1640.61 963.33 2407.45 639.93 911.71 5379.35 4894.08 3919.24 9469.6 2308.03 2402.36 4262.06 1281.79 1727.5 864.14 4012.26 1456.9 12294.37 5687.14 4310.63 8684.05 14796.34 11890.85 7040.28 4593.89 4028.39 16170.23 7315.36 11231.65 4760.11 5136.43 5132.68 6348.69 3532.33 5061.98 4227.33 3702.23 5825.49 3413.89 4560.53 4195.57 5154.22 8186.41 12635.13 4829.96 6128.92 3490.91 7298.82 7713.04 4193.23 6204.71 8631.32 2256.34 3403.34 2924.66 2600.2 2767.74 2577.03 2101.7 2289.74 1222.09 2432.24 2103.48 2426.59 2529.17 1504.72 2054.26 1675.49 1107.28 1635.29 2019.37 2240.85 1802.43 2093.04 2293.73 1956.29 952.15 6852.78 6860.76 7079.34 7076.61 7123.87 7525.67 6914.07 5982.2 7479.93 (R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan 23856.53 10042.4 1672.28 1247.1 11656.98 8903.09 3759.96 18851.45 20656.73 17307.96 8668.41 15333.47 6871.41 5381.22 20243.25 9046.28 4373.8 20575.34 21005.68 28102.27 11984.06 1726.86 2464.18 5271.93 14364.66 10113.13 3149.13 10928.48 8971.02 15344.35 15832.19 11521.77 9368.42 1614.65 1046.94 16486.33 17488.39 1763.67 5969.82 3200.58 35449.97 42815.86 2140.4 6155.69 20193.89 2016.17 16349.64 11170.27 15931.16 17121.91 20884.85 13192.08 4448.88 4458.44 14453.69 9914.64 1464.06 1199.76 22391.22 4846.29 2402.17 3035.56 8461.36 7143.38 8764.25 23561.96 23781.15 11937.89 11033.93 11672.2 23388.49 16508.63 15391.58 4213.74 9725.87 18609.87 18958.88 17317.03 18606.77 20160.13 18149.43 18281.03 17781.16 18624.95 Tyrphostin AG 879 2686.67 7231.92 609.86 1070.2 8412.13 5817.22 6268.44 7372.35 8674.03 1324.98 3044.26 964.1 3507.02 807.43 7740.12 1116.55 439.05 7533.93 4554.64 9144.62 4951.17 6272.41 1314.36 1378.71 1596.86 2819.33 724.76 1440.14 3942.94 594.26 2557.89 597.14 5258.32 1214.92 1872.34 630.99 3322.82 1453.4 2041.66 1448.43 8389.9 584.98 1012.82 555.54 628.17 3268.18 5169.71 1037.72 309.5 6647.48 3450.63 7632.33 2496.53 872.57 2694.77 9361.3 1438.21 567.97 3787.42 4169.5 1063.86 2325.11 6184.1 414.54 1049.19 5017.39 15113.49 1320.79 2536.47 6945.8 12131.44 9834.4 1158.84 1327.2 1370.05 5757.34 5918.4 4866.83 5856.23 5615.82 5856.7 5623.62 5655.7 5628.46 AFP-07 free acid 2531.63 4885.76 3518.04 5087.79 4851.98 57266.91 29343.31 2650.63 4923.31 24577.78 3560.39 1275.73 9347.79 5953.52 8554.43 9990.13 7290.56 11793.99 13310.1 2004.94 1767.74 20042.41 17989.24 2303.09 1555.18 7845.61 4175.84 2386.35 5557.41 1566.85 1124.27 7367.69 3054.05 8367.02 2336.86 1830.36 3990.96 4790.93 5920.69 1500.19 2640.19 974.06 4466.5 6224.94 3230.93 4686.15 7350.34 5934.51 1409.25 6469.59 1679.35 4799.89 4369.7 5944.14 2846.59 7070.81 2216.87 3429.42 3267.66 25635.13 4501.97 4154.27 4347.64 8007.09 8419.39 6461.06 11441.47 3698.79 4699.53 6967.49 5244.48 32347.28 4233.1 7756.57 5323.96 14497.01 13665.75 14550.63 13773.87 14447.69 13714.24 14395.94 14653.16 12765.89 Chaps 4967.48 3105.59 2867.92 4220.41 4963.77 51806.08 23727.53 5694.78 6168.44 4086.11 4602.49 6594.57 5096.33 4348.81 6119.93 3654.11 6264.63 4982.09 4412.83 5750.43 5213.45 3935.91 7302.39 3070.08 4698.48 4169.05 3306.39 3474.59 5866.34 5506.37 4277.22 32916.08 4562.87 3930.32 2788.02 7462.22 6099.42 2341.11 5945.77 3734.1 9451.14 7039.29 2947.48 4775.13 7144 5359.13 9038.41 4468.25 3563.18 4483.67 4669.24 2878.24 2920.91 2774.32 4354.71 4168.65 3953.06 3698.38 5187.05 5389.18 5764.75 4275.02 4381.78 4494.65 3715.57 6556.07 4676.85 3860.54 4891.29 4866.04 5897.12 4459.69 5566.34 3198.01 5353.9 4653.07 12357.0 5136.33 4998.46 4885.41 5283.48 5038.1 5023.76 4596.91 5548.0 8464.31 3708.84 5024.75 4525.18 5195.67 6355.14 5285.9 4795.73 4203.94 5093.11 4860.64 5180.23 4417.85 4629.51 5055.49 6958.33 7728.57 7659.12 7668.3 7729.96 7678.54 7616.77 7743.27 7677 Arginyl-glycyl-aspartic acid 8574.49 40460.67 14331.22 32870.42 6097.75 33188.44 11311.05 2915.16 2513.93 4737.22 399.24 3288.48 5911.5 28482.15 33033.48 15707.91 23489.62 32309.71 28952.24 30875.55 3939.56 12906.39 14930.17 8114.43 825.72 9540.05 5242.67 9657.32 24944.2 9694.61 23376.27 22980.56 9428.01 13514.72 13024.15 8120.86 5408.05 3596.1 10366.03 9269.3 9633.07 10159.36 26682.37 17806.73 33837.52 7535.61 34347.25 21950.46 10417.64 51538.93 7431.24 44874.71 9557.45 12040.76 12039.92 55263.13 14135.13 19605.87 11895.03 16200.97 14166.75 16376.75 26140.89 32054.53 36190.65 17731.68 51940.22 3506.5 15985.12 12420.79 16555.77 25168.97 21556.22 41484.78 37820.9 24836.86 24826.56 24839.01 26277.92 25336.79 25250.66 25241.82 25084.82 24682.87 nutlin-3A 1774 1542.91 461.5 338.61 1671.33 1706.39 1177.72 4573.87 5118.01 2026.51 2595.56 706.62 1510.89 1069.87 8053.71 1217.84 492.82 4857.66 319.59 6352.63 3157.25 1484.81 533.45 959.42 3007.14 1790.21 906.55 542.63 5033.32 301.2 1133.91 290.7 4854.76 1215.69 2557.3 2322.92 4907.03 647.07 1028.32 2608.57 1837.91 323.43 1688.54 947.36 1080.94 1336.65 5895.59 1936.13 228.69 3135.12 2655.83 1509.31 988.23 3914.34 1185.72 754.4 2680.91 2463.05 2931.82 774.32 1292.44 477.4 2857.24 8282.54 1746.79 2581.21 973.78 966.21 596.17 2759.39 491.49 290.89 1227.76 1916.88 1301.35 4153.31 2708.17 1912.12 3336.79 2656.22 2789.59 2858.93 2742.83 3693.93 4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline 21552.98 751.05 812.27 1512.27 14593.25 1966.31 2410.35 31442.21 28283.71 964.12 1867.58 1644.68 527.57 3718.29 13859.79 2226.3 1298.99 10425.95 5267.73 14026.89 11034.31 1009.54 1710.3 557.04 11569.33 1649.17 1807.9 2860.28 17700.02 3221.7 13112.98 5012.61 6103.26 1883.71 1206.08 7992.01 11066.16 1918.7 2275.98 1621.09 19481.46 15983.59 2478.57 3176.4 11475.26 4061.63 16333.28 3379.9 3146.4 828.2 4507.5 4087.36 2891.22 2553.35 9991.98 782.98 1679.22 1638.79 15658.28 2911.48 812.4 2145.29 1060.07 1968.59 2014.67 11597.79 9445.66 529.89 7883.85 21479 22806.53 5168.68 386.73 2575.72 731.41 4728.64 4457.29 4723.33 4707.96 5132.43 4492.89 4519.58 4479.98 4760.93 Cytochalasin H 192.75 421.26 418.3 404.5 164 11234.96 5739.65 992.36 355.44 438.12 146.92 1305.98 205.78 220.02 153.86 303.14 249.7 310.37 1262.86 321.49 452.86 426.2 180.82 237.39 393.88 160.17 251.89 357.25 462.4 489.72 166.85 3877.86 563.57 190.55 439.6 381.58 233.82 430.4 535.9 184.7 933.98 238.7 386.16 388.64 227.41 257.59 373.49 283.27 209.45 232.01 146.54 248.99 189.2 240.78 295.26 226.38 260.16 219.47 533.95 208.96 400.31 768.83 297.53 317.93 167.77 251.73 262.03 269.72 346.17 912.3 463.02 314.8 1083.18 233.42 185.42 3898.69 4130.93 6197.07 6820.24 3887.65 3757.11 1040.32 6835.12 4798.16 1375.75 1037.47 4847.11 1984.13 1577.92 6084.51 1380.94 738.83 4288.51 605.78 1314.89 3607.73 3520.98 1101.02 1103.6 1128.02 1101.22 1131.64 1129.51 1129.33 1145.73 1066.31 Vandetanib 15029.31 27461.93 11846.88 18972.45 10699.93 16559.95 9095.23 10982.59 12317.63 9940.19 9113.04 16667.24 20711.65 24417.55 16119.47 13624.8 17430.47 26337.39 25266.96 12918.34 8054.49 13098.97 5826.98 8457.77 6534.14 8884.32 3937.22 7275.99 16403.58 12841.61 28036.7 29213.83 10178.04 11152.06 7686.58 10290.58 5953.7 4828.05 6657.6 5872.75 31294.14 23380.95 10212.53 13105.86 33798.98 16753.39 14334.41 13204.61 18739.63 34199.83 19626.66 28361.61 16408.51 16270.01 13777.75 20558.26 8091.6 8861.76 8261.99 12474.23 5886.13 3625.43 20738.27 8010.63 12270.34 21225.92 44539.63 11240.23 14113.93 8282.69 11168.35 9510.44 9414.48 15093.85 8774.46 16395.9 16817.06 16828.39 16825.66 16859.25 16342.77 16987.71 16445.73 15741.28 (1R,6S,7S)-9-[(Z)-2-Methoxycarbonyl-3-methylbut-1-enyl]-5,5-dimethyl-8,11-dioxo-12-oxatricyclo[5.3.2.01,6]dodec-9-ene-10-carboxylic acid 11302.46 11863.69 2979.33 9342.62 5341.17 34349.79 7530.73 3559.58 3021.74 9172.22 2943.85 7831.75 23128.55 30086.88 6071.01 4028.75 1121.41 7028.85 12406.15 4105.06 707.77 664.89 789.21 2216.08 443.18 1116.87 1575.91 675.35 7452.63 2590.44 4439.53 12229.65 1080.79 1620.56 1077.32 531.59 725.36 420.34 2099.69 618.51 10999.67 12326.46 1263.13 2938.4 17191.7 12963.07 3603.73 3456.17 7333.62 25686.1 4160.59 11243.72 3562.77 6805.95 890.97 3684.78 2189.85 3218.36 802.46 672.27 917.37 680.05 3165.45 2125.21 2716.18 5769 28512.63 3585.24 1045.54 1030.71 2267.42 1845.08 2111.98 2041.36 2546.46 4289.15 3927.78 3846.77 4260.8 4150.37 3884.58 3925.95 2627.75 4204.11 4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid 19653.55 5444.61 1977.4 3603.41 752.43 1005.74 4097.1 43022.25 30429.63 19203.59 891.47 14175.14 4127.3 819.24 29614.57 1706.36 9436.63 69298.45 52224.39 73157.56 17999.54 7532.81 4629.68 4488.06 24028.79 14565.6 231.33 969.99 24417.7 7857.53 35174.93 28733.93 23652.37 3912.19 283.72 22208.55 27646.63 2901.1 720.95 4003.74 2577.47 30687.04 2173.01 6777.87 54752.16 7982.21 42194.32 16049.45 3902.55 25773.89 308.92 10535.29 1440.73 1203.88 6554.68 8178.1 2712.79 2420.61 58247.01 1449.39 4845.7 1000.98 5698.51 11444.87 15225.33 3077.66 16639.14 10438.11 8097.3 34681.04 22682.14 19303.62 18641.37 1472.58 5979.74 51370.92 76347.96 72465.48 99472.17 61275.42 57692.64 51083.17 38327.32 46815.43 54692.26 36258.8 30411.3 28417.48 37216.86 22918.12 42657.82 50713.71 52667.44 25587.11 108176.21 97835.42 78500.18 64942.57 28424.55 47493.63 23228.84 23143.13 23293.58 22638.81 22759.16 23444.91 22964.71 22417.25 22738.84 Trp-val 22639.16 13103.06 10797.65 9044.85 3635.14 779.13 17222.39 20155.13 15032.5 5595.61 10264.04 4024.3 6216.67 7134.41 28975.17 14843.53 9133.38 7429.21 17645.72 12761.78 506.6 5588.9 6881.9 5767.39 3889.37 4828.99 4953.63 279.21 15816.71 5039.94 3130.16 761.64 8712.94 6110.17 874.04 7538.41 7350.06 1960.86 14241.92 1569.79 6363.83 2899.15 5368.32 4168.76 10629.8 7154.4 7472.73 8554.39 810.68 5386.08 11865.46 30689.78 13445.93 10054.62 18148.84 25768.46 7731.73 1068.22 20535.09 11289.05 8953.88 25230.49 41581.67 19128.51 7888.94 17573.6 2826.61 6073.25 6803.07 16553.54 12022.12 11567.99 2141.33 4042.23 758.12 16304.25 16022.09 16089.86 16143.22 16641.31 16300.87 16715.98 16272.97 16300.45 Photrexa 2132 10204.05 927.31 994.72 3161.63 1533.91 2830.92 1517.03 7340.36 4656.58 4612.27 2743.71 927.49 515.46 6144.39 6971.25 4596.9 3589.45 4002.81 1945.92 805.78 1429.2 1280.59 2051.37 1650.63 4088.42 2316.92 1661.94 2594.25 1691.52 870.19 814.71 2107.79 1024.31 1672.04 1762.25 4402.2 1092.2 907.47 5750.18 1192.4 1807.42 1048.93 636.34 1958.98 3017.35 2704.68 2436.07 698.43 10450.95 799.28 2384.47 2682.45 3871.49 3936.32 7443.4 1826.16 536.04 1917.53 2998.51 3040.55 2394.96 1276.9 8784.85 6762.3 4653.67 6284.97 5290.48 730.26 2512.91 3654.98 7736.46 1660.61 10380.5 9706.22 37846.21 31996.14 34513.76 9365.1 23223.12 32301.28 34417.92 24071.76 32125.63 48544.07 24602.11 42522.3 31024.97 22296.1 39663.2 9248.25 25485.12 29880.38 21420.38 17680.95 38963.32 34682.61 20322.9 26120.84 25074.41 1715.98 2410.2 2582.41 2675.19 2496.49 2367.81 2311.38 2468.92 2608.81 17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid 6446.92 2103.86 612.8 1014.88 9901.72 4392.95 8419.04 9974.33 6231.67 2542.65 4355.15 11156.01 5716.23 1382.19 5722.87 2285.65 3607.06 9035.4 4885.52 2658.97 5478.53 1226.44 866.62 1138.4 3727.09 2297.99 1780.32 1967.41 4003.39 1074.86 3248.98 8368.18 2330.31 1245.55 1532.62 4342.98 3072.84 913.68 909.88 338.12 6122.58 10406.93 1522.34 1578.3 11289.55 642.14 10173.62 6839.51 1401.32 1550.44 7636.58 4970.71 2435.26 4402.74 7441.79 3953.19 523.03 1757.62 9188.34 2023.65 1119.41 646.85 5957.91 2535.8 1525.8 8358.81 2050.97 2497.58 1139.04 8485.14 5010.84 1008.08 1609.17 2770.17 2473.39 4847.02 5635.64 6485.18 6048.69 5846.22 5880.27 5841.02 5959.38 5762.88 (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]hept-5-enoic acid 892.33 394.56 898.97 957.22 1576.52 1457.57 2327.94 1818.8 627 2180.61 3357.84 1077.58 766.99 3513.41 1915.35 2314.06 1677.05 4359.91 1419.46 1706.58 973.87 550.96 589.45 874.99 753.78 729.64 487.94 1074.93 2079.74 1063.68 2074.75 2878.19 879.69 1687.67 1599.38 588.5 616.1 643.88 1853.57 694.48 1781.66 2396.35 2163.66 2434.6 3835.11 2851.47 2062.98 849.23 395.76 4158.13 1177.96 3031.28 2387.92 3361.18 1358.48 697.15 533.59 1141.25 1058.62 523.77 946.01 2239.76 1905.88 2330.77 2663.24 2402.61 3560.05 2398.6 1527.48 880.99 665.36 419.24 1700.78 1880.76 2320.83 2345.02 1425.79 2247.64 2224.13 2227.58 2346.43 2301.09 2266.57 2406.14 Osajin 2428.93 5210.57 4286.9 1980.76 1940.52 4105.65 2057.21 1186.73 2343.5 676.66 1019.1 901.33 4373.04 4827.67 7550.28 1351.15 8146.81 4396.22 5251.73 344.82 2507.4 6555.52 1815.46 4778.21 769.14 1211.75 1813.49 3980.53 4512.67 3083.6 1794.7 4249.78 5944.62 1787.99 6543.48 2427.23 4527.68 1175.03 2914.01 696.21 1740.46 2841.76 7261.89 8503.38 2842.44 4402.5 8711.86 7929.89 7447.92 7801.28 3081.75 5701.95 3284.19 7976.57 3385.45 11998.9 3765.87 2520.81 963.15 2108.13 12161.65 8720.52 1568.44 2708.43 9169.83 1304.08 4462.17 5689.1 6520.91 3708.96 2187.39 8290.75 4274.55 14377.21 14931.5 6686.83 6532.23 6760.57 6679.79 3984.1 5710.75 6449.48 7253.64 5774.81 (+)-Zeylenol 4031.72 14341.96 9711.29 16345.03 9914.09 6298.77 18681.13 8369.34 6310.95 13143.07 11196.16 12888.67 22921.96 16830.93 11946.81 5616.01 14092.11 4092.58 16633.86 5937.18 600.01 11335.32 12862.27 17388.72 8442.85 2089.41 12028.85 11206.26 6030.66 1769.31 1497.48 10543.17 10249.96 8954.56 10550.89 9190.08 1160.18 833.71 14569.48 8604.32 2426.54 4767.02 17374.45 8304.93 7471.43 7945.17 3288.41 23353.84 10537.46 11041.25 1404.86 12338.69 15174.1 14319.96 4568.74 12668.7 4902.11 8144.72 5142.89 7104.62 21905.78 22530.23 7664.86 4398.29 10341.96 14598.43 3663.74 15563.83 13968.99 5212.09 1851.29 16942.04 2201.95 15023.15 14886.23 9467.36 10286.78 8827.27 9435.51 9442.16 8919.55 8818.09 7322.98 9407.59 biochanin A 7-O-beta-D-glucoside 1572.67 3416.5 971.62 1540.93 2871.56 504.24 2570.96 3971.56 2845.94 2416.89 809.56 2189.41 4375.84 3340.39 5429.5 1814.9 2227.43 1478.11 2272.36 1378.18 959.14 1255.16 1440.53 1207.81 688.02 1011.27 580.19 935.3 2899.18 962.33 890.4 1798.47 381.67 895.62 912.8 1856.47 1334.81 434.69 2038.88 694.23 1745.82 1234.26 1301.77 541.84 1194.6 1549.66 2429.83 2085.36 2285.87 2510.86 845.24 678.04 887.84 2357.75 2577.32 920.78 811.45 405.87 1484.55 2327.3 764 1802.2 1109.91 1549.75 1421.65 806.01 1370.51 1399.96 2147.58 1639.44 2662.71 2843.84 2535 2537.68 1505.76 3107.3 2666.04 2906.16 2432.37 2952.4 2368.71 2722.46 2849.63 2258.93 (+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione 6557.42 6976.75 6451.11 5942.27 8071.79 8694.19 4034.34 5121.05 6628.5 3894.45 6538.98 952.83 6767.58 6876.38 8820.43 4244.98 6012.84 1246.82 2675.04 4885.26 3796.75 3586.31 7576.72 5028.22 5383.12 3642.74 4758.76 4463.21 3688.92 1453.24 3687.61 4255.23 6769.02 5678.06 5103.41 2661.97 5530.22 2510.65 6495.91 6148.94 4668.17 3633.41 8136.95 6621.89 8420.96 7862.53 7034.47 3824.91 3521.8 8592.39 6560.06 3686.78 7776.94 10159.4 7597.34 7974.51 7351.92 6574.31 7514.07 8716 9503.66 6972.25 6972.31 6010.31 7239.78 5581.27 4629.46 5916.5 6108.04 6928.31 9909.53 7051.75 4300.86 5460.5 7591.88 7237.22 7002.83 6967.16 6911.8 7225.3 7235.61 7239.75 6933.09 5998.85 (-)-Bilobalide from ginkgo leaves 26445.89 43984.03 2875.3 6483.04 4820.49 202391.1 32892.18 4060.39 24364.41 29313.51 2047.79 17652.85 33767.94 52022.55 44031.76 12844.05 30140.49 120040.42 42691.66 99487.7 2816.26 62095.47 3017.92 2551.08 2843.69 3701.57 1778.88 590.81 25286.01 6909.7 41202.07 90034.5 2509.2 45778.32 1305.74 8564.42 2981.07 14592.15 4034.82 1482.76 56530.23 44405.11 6909.21 13001.39 78198.42 39275 14547.59 4554.39 5970.38 78182.13 25684.6 64179.7 2911.34 15389.05 30090.56 56727.91 1063.3 1008.05 1187.21 46408.18 436.04 537.61 29724.53 7164.79 24040.19 42846.44 91797.47 5372.17 21724.04 4415.42 3477.33 3277.38 1612.97 24132.79 12603.33 27961.67 26436.07 26988 29851.31 26564.31 22988.16 26789.17 28032.97 28206.02 Vomifoliol 9-[xylosyl-(1->6)-glucoside] 16506.84 1139.78 1180.14 634.75 17249.3 6434.27 1637.14 13095.28 12066.81 492.3 570.82 4599.7 1303.27 3500.76 17197.13 10566.48 27883.37 10478.55 1909.03 20258.41 8554.86 5054.82 254.07 1771.72 6514.88 2021.77 1689.16 3223.99 10617.11 3566.87 7568.54 4326.19 6623.42 1861.77 526.73 4774.96 6433.34 596.73 2981.86 279.25 9666.18 13686.48 2198.8 651.61 9738.53 1595.37 17657.22 620.95 3266.07 239.68 6633.83 2006.99 3127.1 2562.8 14109.01 1733.88 11797.5 1230.74 10015.48 440.37 2658.49 1104.22 6822.98 2773.98 3362.18 11812.48 7172.56 249.24 2920.84 16129.74 10527.08 4877.98 8632.91 5382.49 1053.65 12143.25 12117.85 11734.55 12235.15 11281.14 12088.87 11933.66 11524.34 12148.26 (1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone 588.26 263.64 293.8 4065.84 46253.86 28739.95 10739.38 758.55 333.38 211.87 464.74 875.49 1909.97 418.69 491.78 2102.21 601.63 778.17 599.52 241.97 558.07 1063.46 1206.21 184.25 451.64 250.99 203.32 248.59 381.45 312.13 275.19 766.71 419.01 106.37 125.89 586.54 158.27 136 296.72 320.47 7112.87 1348.88 116.21 166.29 353.94 5542.92 208.99 274.42 1359.91 755.82 495.62 448.57 535.46 678.5 830.82 689.87 450.93 138.04 1050.99 2735.91 461.86 1322.58 686.06 263.47 511.07 861.22 225.07 504.14 250.64 879.88 115.99 289.89 756.42 154.24 496.97 2577.34 2546.06 2602.39 2635.68 2728.46 2654.66 2586.61 2526.89 2043.49 10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid 77596.28 107835.77 172397.22 5519.42 7353.21 21593.92 37759.43 36368.34 78175.37 88537.76 112321.74 75693.21 3992.84 36352.57 148910 85396.81 116988.91 143575.08 95681.83 86586.19 121910.68 86841.89 314568.73 156258.67 41421.25 85040.99 79565.64 28707.21 82583.88 52096.87 169452.11 25298.68 67861.56 334526.01 54371.15 60594.36 75037.54 138281.6 25013.31 112655.15 14599.11 24963.88 301187.46 127388.36 163493.31 63889.41 37925.01 69807.46 93528.75 208723.19 50573.68 104355.82 73621.46 59186.52 14752.69 81629.59 104941.76 102175.07 406047.33 64105.09 123594.22 88280.15 75958.6 123836.96 175878.15 39798.6 65459.4 81230.71 114361.39 109600.03 85140.03 126694.66 110672.57 150219.58 29173.77 17482.73 17704.71 16278.94 15954.53 16537.13 9454.47 17923.51 15117.03 19681.23 Debromohymenialdisine 10307.63 1121.39 2109.83 3809.55 12367.29 4701.51 8272.67 7860.34 13525.41 13879.72 8248.44 19813.4 7320.6 9624.92 4081.86 19847.8 5232.12 8456.36 10883.02 12561.71 10287.72 4976.14 2443.97 1970.68 6860.25 1520.16 1743.14 8297.27 2202.19 7291.19 7433.55 10370.75 1056.37 1626.46 1307.48 7563.48 9663.89 1630.82 5445.39 2339.52 9436.93 18923.62 6158.35 5244.53 14216.85 5223.08 12613.18 5588.27 9680.06 13414.74 8079.8 3117.74 4613.81 6007.14 6938.72 1938.64 3377.43 3773.66 12473.49 1132.66 4102.82 3695.57 2006.96 5778.17 7431.93 10137.2 4287.34 10073.58 10673.28 8967.29 5752.92 7757.98 11330.24 6375.29 6711.45 3222.96 3497.3 3645.5 3461.32 3371.95 3928.76 3698.18 3473.11 3218.64 3484.26 3423.78 3292.29 3408.34 3264.98 3183.01 3382.31 3301.91 3833.14 3764.45 3872.75 4299.43 4142.69 4315.69 4002.65 3776.34 11861.65 11515.22 11516.97 11862.95 11790.04 11770.82 9575.72 11870.34 11860.67 Cycluron 15345.15 15190.36 7765.36 7156.24 21478.97 21077.61 13456.24 27130.71 31318.85 18204.74 13069.69 15249.47 14307.01 8654.56 21494.76 18255.34 12173.88 19912.25 10011.7 23091.11 18886.18 8042.82 7729.19 9628.17 17380.62 17114.5 4328.54 7109.21 19611.44 5487.47 10232.42 5876.13 13832.17 7668.4 6574.49 13460.69 16221.22 4752.05 7017.18 6421.75 25331.48 28577.88 10204.69 9784.99 20275.52 7498.36 25026.38 17511.14 7237.79 10119.77 10815.27 24718.93 15485.2 12929.65 12312.76 15734.75 3879.66 10564.28 22081.76 6636.18 9945.02 7228.27 13650.38 16598.15 16198.5 21482.9 29397.31 13384.62 11992.31 19066.62 26470.97 10156.2 14375.93 20954.41 12654.89 19878.26 19210.61 19793.52 19895.02 19904.63 19510.02 19903.05 20350.96 18688.41 Clasto-lactacystin beta-lactone 2350.96 27533.9 6234.15 12606.06 5639.88 23022.91 10344.58 6354.91 8962.36 26239.31 4851.28 7946.28 7518.43 3326.6 11384.21 14569.65 10831.56 6676.12 15039.61 27855.65 10932.06 20994.87 10887.16 11888.69 4287.06 29169.08 8921.76 2720.76 59613.28 10144.49 10256.52 20173.35 29403.77 9010.19 7295.85 4688.35 7409.03 40885.38 7952.32 12241.03 7669.48 6536.18 13827.62 3018.06 24504.18 10063.26 21097.55 23000.44 9733.39 17112.39 6445.62 21567.51 25653.37 8504.49 1430.53 11346.63 20704.99 19784.7 11911.67 9631.61 1770.9 4939.8 4114.77 5141.44 8367.89 3414.28 9486.55 3227.8 3642.59 5320.87 13078.67 22986.04 20885.48 10480.1 5890.7 15202.44 13146.36 13854.15 13854.29 13846.89 13839.67 13538.99 13431.48 11326.08 13-Hydroxy-6,9,11-octadecatrienoic acid 1357.9 2895.84 2955.12 2090.34 1932.13 888.05 652.38 2327.71 3061.83 2135.7 3490.37 2855.54 1751.53 2758.33 2184.02 1326.2 909.58 1927.14 1278.07 1229.45 3427.15 3592.89 2645.5 2941.35 3438.29 1303.31 2700.99 2991.07 3608.84 3345.14 3754 2276.03 4692.02 3385.42 2551.53 1857.71 3695.58 3076.82 1112.91 3380.2 618.77 2807.14 4155.2 4134.83 1984.74 2465.49 1771.93 4621.06 2566.86 1842.93 2825.5 2186.16 2412.03 3692.16 1423.75 3324.69 3224.94 4058.43 3349.41 1058.67 1592.6 5389.05 2481.33 2445.73 1228.9 1934.83 2266.66 2506.48 3250.16 4071.8 1932.98 2355.08 1864.62 2086.93 3777.2 2146.85 3079.75 2580.42 2581.16 2362.41 2780.71 2301.88 2589.45 2450.02 (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trien-14-ynoic acid 5015.41 20229.58 5499.28 14468.75 13447.54 9410.77 15796.12 12207.93 21831.13 24424.4 17830.84 12730.32 42678.82 44824.8 16925.91 16414.43 18378.02 62080.89 13265.02 29045.48 8416.06 6474.63 6115.23 884.44 2206.82 46731.48 400.19 5256.89 14735.72 5339.32 21818.75 39848.37 2595.78 4785.34 7823.92 5774.5 1305.52 12945.66 1819.93 4926.01 13620.25 20416.54 12411.11 63915.17 26498.98 23298.98 11370.3 3549.39 10224.78 39995.85 7964.67 12158.73 7927.05 16109.83 9366.35 10080.54 8875.81 3158.84 15390.63 8519.63 48402.36 5739.58 15838.56 15805.28 20831.08 35051.95 31113.44 17149.66 23837.53 2474.22 15653.58 23748.58 26625.81 26839.33 69075.88 22712.35 23063.06 23119.25 23634.46 23203.25 23190.48 23647.26 24570.04 23692.94 [(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid 3788.42 1002.89 2928.7 1220.47 10807.53 3488.82 5044.28 5957.48 1650.82 2885.54 5286.35 7016.13 1507.2 7097.04 3061.58 7858.67 4310.07 2346.81 5197.75 1889.5 1776.85 1343.95 3422.96 776.61 2815.77 620.09 1239.77 1962.52 626.48 1837.91 2736.23 1576.66 1386.08 544.12 1700.3 2564.98 891.49 873.42 5057.06 1582.91 1653.42 5646.78 1790.06 3870.16 994.51 6823.06 2547.34 1771.68 934.7 924.12 946.97 2205.93 6081.95 5293.39 3415.81 4702.29 1721.51 751.53 1556.19 745.23 1616.97 1206.82 6314.46 3974.42 3969.67 1100.04 2260.65 855.19 1525.54 3214.22 1125.83 3290.98 6623.72 2070.57 3913.91 3404.31 3234.46 2935.73 2731.75 2127.85 2749.16 2879.29 3195.98 3285.39 1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone 7101.29 19546 21766.79 19152.69 6615.73 10674.68 26882 26091.05 12619.29 25839.19 50034.51 82630.29 57094.46 50365.54 23487.39 59258.3 29186.2 10287.84 62377.67 35582.32 10216.11 9921.73 16270.55 16987.67 7232.28 6823.03 9894.82 15564.68 7409.42 13682.92 7565.84 31277.37 6101.13 17960.34 15646.28 7209.76 7549.56 4242.8 43984.24 10479.38 19318.76 17580.64 45534.2 28262.94 25593.21 31741.44 21704.38 30769.24 16298.6 63526.16 11279.64 12366.62 25661.93 29683.89 3830.19 12518.53 10720.28 21388.18 19865.5 13715.97 25291.96 29408.06 12349.53 33797.74 39508.48 8141.14 22929.56 29789.56 31660.89 18134.39 29060.4 32463.64 34439.8 41362.6 38456.91 32263.17 32372.16 32792.13 32294.51 32787.85 32787.07 32678.26 31724.37 32454.71 Inundatine 11217.89 15485.37 9270.09 9216.09 21660.52 31590.57 11760.79 21212.5 28464.91 11292.25 15330.03 17532.93 17847.77 11133.23 24030.86 16182.9 13125.72 26532.3 14395.77 34440.54 11712.86 8094.5 4004.28 6450.67 12118.97 13380.39 2706.71 9003.78 13225.2 2018.12 9249.67 4688.61 10629.3 5974.98 7944.4 11640.83 14526.68 4590.73 6400.17 5003.34 32554.55 26233.59 14796.29 14431.53 29463.88 7159.43 23898.33 8610.62 6864.74 16474.13 9655.94 22224.41 13599.59 16525.25 11545.08 20415.02 7747.07 8304.8 18070.21 19615.83 12519.02 4924.79 11127.97 17137.49 12955.85 22248.05 30948.81 13987.64 10999.53 15437.76 24805.19 1570.81 8675.35 17648.22 16355.63 19243.72 19406.33 19245.24 20225.22 19144.65 19588.73 19745.46 18800.39 19373.37 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid 400367.65 110097.11 34109.64 81814.22 90302.5 20591.82 112440.71 185590.43 354970.84 226331.37 297186.97 48953.33 346417.22 188835.33 121087.13 79013.54 48741.51 45803.1 261131.54 113695.11 168701.79 11165.16 129116.53 236790.58 203860.11 87787.16 353399.82 298365.17 62165.47 41043.12 50321.19 120944.01 16391.95 295729.23 113226.83 134645.3 158606.25 27025.18 382633.81 92894 119344.4 279186.79 134005.73 201822.18 325598.7 234595.86 173798.98 46982.13 441261.89 207204.87 366527.2 68885.53 113254.47 132098.93 188720.9 134103 42856.8 62333.14 87627.15 29120.81 187568.01 166035.14 219291.16 52881.46 29503.27 264212.46 118940.09 303891.62 92638.86 194927.48 301488.78 263272.74 103912.27 102913.94 265362.17 194608.84 198221.28 193045.57 194021.63 194612.22 192928.06 191260.48 194593.85 193460.39 (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid 5231.35 2210.89 14410.73 24304.2 79603.1 41213.11 80005.42 4928.66 5367.2 4073.84 6861.38 5713.9 36566.8 5839.58 3700.56 5984.73 8183.29 3556.55 9233.71 4030.6 2194.52 6392.07 2138.68 573.39 2414.22 351.5 1474.97 1661.79 1379.47 1019.25 446.4 5939.65 838.34 4049.24 2948.43 2956.33 2297.75 467.93 4774.93 1983.16 23413.21 8624.58 2090.98 4596.52 5358.25 49629.77 2577.79 1527.66 4266.05 8463.66 3955.03 2823.84 5544.13 8295.19 13917.27 1962.24 2824.83 2296.07 4270.86 12977.57 3025.83 4198.21 3176.47 13664.88 2734.72 5009.41 2812.41 4266.91 3116.74 4316.42 4852.01 3298.03 1245.19 4059.14 11299.4 16391.58 17524.81 16743.09 16701.83 17541.24 16655.22 16484.03 9284.86 17214.02 3beta,7alpha-Dihydroxy-5-cholestenoate 922.23 613.56 658.51 980.79 1526.89 727.48 1452.75 1642.1 1760.16 2037 2432.7 1195.2 476.38 1344.01 1647.54 351.64 1564.15 1183.03 1574.39 672.54 2358.38 1421.89 606.91 739.45 740.73 492.35 453.66 1388.01 1201.66 1312.91 704.08 680.41 681.43 402.67 547.82 322.9 594.78 348.81 1018.76 516.47 589.97 597.08 1326.64 3089.2 956.9 665.76 1523.17 1246.91 1539.91 977.62 650.12 1199.56 2291.25 1368.08 1184.75 614.76 1297.93 2049.2 1322.66 538.78 754.04 1036.17 1108.39 754.05 2712.26 1613.87 844.25 2024.72 1748.82 813.45 1405.27 2585.51 827.07 2090.9 2192.5 1435.71 1405.59 1325.39 1481.6 1454.4 1309.47 1379.33 1463.49 1649.05 (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol 209263.29 210442.71 362706 295122.2 70308.88 94233.86 133563.33 209244.57 210231.97 264854.77 380435.58 355776.84 258192.94 336781.64 110474.41 281435.91 197321.89 146403.61 510227.08 212953.13 248834.05 167829.78 426203.97 378722.59 230823.67 283593.57 209197.78 390835.02 244298.61 464446.86 186385.24 285126.76 155692.21 534091.33 333350.43 184107.62 231742.21 88769.68 456508.6 304599.53 147473.88 222834.12 483881.7 332005.11 217758.52 237606 210986.08 423936.97 372257.99 352828.37 128268.96 226512.06 478554.16 409811.73 190877.89 186974.77 199116.24 262511.11 40925.25 100942.37 329311.27 262158.01 181914.35 466711.26 364594.9 231850.41 219725.54 407557.65 330418.36 221223.15 166571.58 357538.55 334181.88 325512.05 354255.18 243641.86 246942.68 243769.54 243592.96 241249.21 243902.64 244582.86 244580.32 244577.19 (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 28245.92 11730.54 5807.34 13291.37 18589.57 24558.31 19860.65 18307.46 17757.09 15746.67 21544.8 20011.55 20917.54 12844.73 40458.11 22950.7 15429.8 18426.88 24483.1 15141.28 10871.01 13199.55 11078.58 10508.92 9735.18 10160.63 7658.09 11519.25 15300.2 4735.05 9866.22 21841.81 20225.83 10280.56 9768.89 11063.55 21369.59 4551.86 14864 8131.14 14786.18 23524.62 17416.95 14681.19 20587.77 16988.22 18641.56 19574.3 11705.96 22502.65 12194.77 13673.57 18078.24 18456.73 17205.49 16406.32 7898.95 9685.42 17072.05 9468.86 13202.84 9299.96 13571.9 19817.04 19112.3 20013.94 15575.23 16405.7 17153.31 29025.89 17024.88 17433.09 19171.6 21085.04 24809.53 19616.53 19835 19983.65 21123.2 20280.11 20338.54 20019.49 19452.37 20246.79 (9-cis,9'-cis)-7,7',8,8'-Tetrahydro-psi,psi-carotene 2469.63 7644.71 5339.05 4203.46 1298.18 884.24 4102.81 5995.66 4688.71 12222.77 4955.67 5883.22 731.06 3116.51 986.47 2989.33 6074.76 2973.05 2836.57 4192.01 3347.47 4323.23 5367.28 4613.06 2875.39 3707.88 10538.67 12214.11 2804.99 7469.18 3988.13 3785.47 5922.25 5294.53 2705.91 2672.69 3682.69 3044.22 2530.92 3375.02 1537.02 2674.11 10695.98 6222.75 2039.72 2934.94 2409.27 8826.8 5472.97 2867.55 6256.3 5744.64 6041.01 1472.16 1514.58 4466.81 6576.14 1186.6 3453.73 7090.25 5338.56 11626.86 3627.95 6255.04 8470.37 3855.24 2906.28 10667.49 4964.51 4004.47 4637.2 11176.63 6903.88 7967.32 3013.52 2895.59 2774.16 2871.24 2776.92 2862.12 2879.49 2780.82 2863.75 2481.2 (3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one 9293.1 2529.85 1041.04 1703.02 5477.95 1690.15 4096.34 10342.91 9306.32 1822.36 2987.48 6142.58 6711.63 2856.14 6803.08 1412.68 2170.03 4289.42 8275.63 7079.94 12385.8 3102.98 3115.62 1168.52 17691.69 5801.24 4237.84 1926.18 11719.06 2059.69 2584.18 10251.27 8566.11 1144.48 778.13 14133.49 7802.89 1645.45 2544.4 3083.21 3904.77 8260.77 881.81 771.93 11563.18 2169.11 10189.72 8115.77 8355.86 2033.6 6181.31 4368.44 1799.39 1231.97 7552.95 4605.6 945.13 566.43 9974.49 1841.9 1562.75 3516.42 6269.43 852.85 1141.95 6954.63 7236.7 2917.04 1881.09 11136.94 6907.52 3591.54 1884.23 685.68 749.97 2108.27 4355.16 4115.66 4226.04 4435.16 4279.11 4151.46 4338.19 4144.42 1,5-Dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)- 2724.88 2922.41 1540.08 2992.71 5038.08 3135.17 2052.28 2481.75 5144.63 3545.12 2371.95 5294.49 6392.86 1831.09 11544.1 8695.51 4781.82 9039.04 1621.57 6399.56 3322.09 3111.79 1949.99 1740.5 3196.89 2670.06 1869.23 2376.25 1125.67 2655.1 2665.92 3812.23 2427.01 2423.81 2676.37 1646.45 1930.48 1011.72 2187.58 2529.51 7148.43 9280.74 1000.05 2987.85 24838.9 5385.37 4190.66 1905.32 3012.05 2681.52 2663.35 2101.67 441.57 4179.78 8076.95 3571.33 2204.88 2723.21 3249.86 4919.86 2286.25 2494.54 4190.35 583.33 1745.36 17224.93 13317.24 4670.09 4939.07 3350.01 3284.4 2736.21 4882.45 4985.12 3636.57 3619.92 3034.96 3847.15 3522.34 3785.34 3803.71 3796.88 3062.92 3810.71 Yangambin 5570.01 7116.54 9394.35 8838.49 12271.72 1349.16 7146.84 6072.7 8614.91 6625.6 6879.45 14859.48 14740.59 14025.13 7081.5 6290.67 4826.92 8054.41 7754.29 567 2566.77 1262.36 3878.57 5042.62 3784.26 1012.47 1983.34 1483.12 2341.45 1040.01 1230.38 2095.02 3023.62 1473.33 2133.65 1613.47 3523.49 2129.77 5898.4 1130.17 6517.8 4977.7 6589.27 13264.93 3338.91 7167.26 6832.21 7239.17 1316.2 9055.22 3360.39 9111.07 8977.12 11062.66 7811.69 15969.01 9709.27 8028.09 6312.52 1827.47 5703.25 12741.3 10592.98 8868.34 1824.34 10183.65 5196.31 6547.52 7433.97 4000.33 5977.62 7369.21 6868.36 12085.49 11354.72 9454.38 9696.89 9580.49 9227.63 9474.97 9470.53 9583.5 9471.05 9585.14 Cyclo(L-Phe-L-Pro) 14614.88 10537.41 18488.64 38673.29 25078.55 21237.98 12287.36 21420.4 18875.99 27043.43 48300.76 53240.75 73372.11 42716.2 20344.01 52197.19 35699.92 21336.27 64119.34 32034.97 16392.81 7689.16 33365.12 17793.89 11628.68 6665.87 14273.48 24012.19 14517.52 22887.69 10598.77 37486.74 5825.57 20799.33 18116.91 23952.97 22895.6 3610.91 27132.08 13230.23 26921.3 23326.81 44653.67 37754.5 24598.22 32104.23 11096.34 41687.43 24410.41 55567.88 15268.31 16410.53 34833.09 37417.42 14146.63 14239.84 16164.46 23648.52 17796.53 7824.21 35917.05 34297.19 14582.12 41000.07 37179.63 24122.93 20156.16 37811.32 47763.17 20672.16 16311.55 35963.58 33656.11 36485.37 47381.24 32613.44 33563.87 33510.97 32602.54 32804.1 32611.37 34908.38 32675.73 32953.29 16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one 2725.27 1621.68 2741.65 1632.23 1313.19 1351.87 1918.34 2866.8 483.79 2078.3 2131.74 800.05 7506.04 4321.48 2284.38 555.48 2566.86 2036.35 965 2076.18 2611.32 5638.83 2884.29 1450.66 1716.9 1614.29 1080.34 2188.19 2221.18 1595.55 1800.46 1391.49 3208.66 3252.26 638.62 1605.79 1176.01 1190 6537.84 1641.9 1609.06 1627.72 1133.33 3783.43 999.63 6408.39 1899.03 2282.89 3173.46 513.37 7979.84 1529.87 1477.16 2739.49 4817 598.56 778.16 2115.26 2728.7 2466.48 2518.62 3977.03 2831.32 1326.77 1798.28 2649.09 1383.01 2619.65 1531.36 530.44 531.01 1783.78 4789.89 3245.21 3927.14 2340.51 2378.06 2414.47 2248.11 2445.34 2191.36 2355.04 2046.49 2210.34 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene 1127.59 10861.85 6147.97 5844.67 5187.39 132256.28 48491.59 3353.4 9188.77 10315.15 1344.35 3302.02 21079.57 1043.49 2463.09 53284.72 6286.82 10710.98 486.03 7179.26 1384.41 6462.77 7582.15 6308.74 616.61 653.51 3527.98 381.24 1878.25 13349.9 7072.22 4906.61 8413.6 37060.02 1720.05 1048.47 521.2 508.1 7305.19 335.71 7026.93 8836.83 1658.48 1142.23 9904.7 93852.19 10569.24 387.69 1917.17 10563.76 5602.33 2404.54 6348.5 18412.61 10171.79 594.48 748.71 5933.43 1558.93 1032.89 12885.94 7496.27 1757.43 6048.63 15686.22 99775.65 301.95 2430.68 574.83 1226.48 20925.81 5201.43 11877.93 8124.33 17222.95 10942.28 11334.39 10932.36 11008.79 11287.19 10927.15 11239.75 11255.98 9143.37 (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole 103.74 63.05 198.67 1998.73 25766.74 24707.36 14150.76 436.99 213.14 52.84 162.11 194.85 2117.64 153.31 150.5 234 452.56 47.75 143.83 153.27 35.37 145.71 166.82 82.15 70.53 48.14 65.43 505.49 166.59 127.45 88.69 70.97 107.89 42.13 33.91 110.74 133.47 49.05 65.65 73.62 5327.82 835.75 123.54 246.08 227.45 438.47 60.2 70.58 48.68 176.41 278.25 163.29 41.89 268.01 263.2 235.75 200.87 168.18 471.19 462.73 154.39 53.48 194.11 233.82 53.01 88.63 62.5 151.51 145.42 111.08 215.45 133.09 84.99 173.38 142.52 2452.2 2434.97 2387.04 2459.58 2433.37 2436.54 2461.12 2398.92 2459.99 Withanolide B 114863.61 28210.96 44878.64 63003.81 24450.59 16730 20626.41 39910.5 36978.84 27333.98 19751.65 25134.05 25228.56 30991.74 100183.57 31070.18 69998.27 19331.09 107062.63 29036.4 24245.97 10881.5 30711.87 35463.11 36311.06 22669.49 37546.36 23806.41 102429.84 15523.99 15186.4 39464.19 9578.72 17177.74 11223.87 28643.48 4131.87 1555.4 23787.09 13524.27 11064.09 10325.56 33979.27 25742.9 32518.31 28977.17 37766.28 27510.24 82020.43 37039.28 35278 30785.09 22335.26 23076.14 32098.97 24669.26 18311.42 19064.24 31351.61 3239.36 65971.88 19724.43 22003.57 23555.65 19902.58 30612.89 15421.88 33552.76 16938.84 13715.15 34192.29 94561.29 14075.51 27093.71 32579.74 26180.1 26946.2 26216.25 26413.16 27554.98 25794.16 27933.69 27548.28 27928.13 [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 2617.03 7591.92 6113.71 6275.24 561.75 3831.27 837.33 3806 990.72 5966.21 6248.14 6203.91 3780.75 1374.33 2434.7 2614.16 9716.7 6208.93 6775.42 3906.06 6019.27 9235.76 5825.91 2730.8 2362.43 6884.23 3445.46 3694 4523.21 9818.79 3871.4 6412.01 6539.16 3892.39 6868.29 3057.73 9550.27 4498.37 4728.06 7503.07 3628.65 5726.78 6303.12 5714.34 1942.6 1308.24 3445.82 6634.32 6644.64 4021.44 4199.82 7539.71 8558.53 4985.9 4989.2 2394.88 3952.74 14522.63 2418.62 6757.98 5918.74 3174.73 6891.29 6744.98 8894.07 3619.83 5142.43 6525.1 11033.6 5600.16 5387.58 5932.34 6780.81 9860.12 4910.21 5566.52 5454.24 4941.44 5177 5230.65 5213.87 5442.97 5416.59 5269.38 (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-2,10,12,14,16,26,28-heptahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(28),5(27),7,18,20,23,25-heptaene-4,6,22-trione 41105.39 37303.19 32526.28 2327.18 5721.69 49102.15 4219.48 50366.27 62645.86 77402.99 84729.29 189140 49682.34 122302.94 47880.5 66899.41 34502.77 63553.78 151863.89 80347.14 49819.23 22527 62378.04 54476.31 46389.88 31189.02 31154.39 61692.66 23865.51 63085.12 42266.28 82136.23 15872.28 43108.24 40972.72 41588.5 59542.14 6835.79 101566.12 58720.44 46277.31 70872 85158.69 54647.6 67627.97 41961.28 33844.5 78871.55 56929.86 98532.43 36932.35 48464.04 81358.68 50270.02 49580.24 36511.21 20167.09 40473.24 46770.94 2249.4 73052.78 106718.39 55999.96 94896.68 85580.85 57360.96 80639.34 88106.69 75048.81 62777.75 56190.16 147424.85 89696.22 67196.98 62513.91 67343.62 65976.27 65023.09 67633.64 69008.39 66107.34 66153.88 66116.73 66951.63 Vanillin 3-(L-menthoxy)propane-1,2-diol acetal 1007.67 4745.98 8859.47 63093.72 1274.2 8168.06 8769.75 533.63 759.2 3456.04 1114.3 593.72 3146.08 4548.33 1246.32 670.88 3664.18 566.81 2622.2 231.27 1262.38 12935.05 1365.35 382.33 961.79 319.45 794.15 974.57 1984.56 391.46 439.34 556.6 502.25 2098.83 1598.05 269.28 962.73 3306.87 1732.6 1412.34 231.56 750.31 858.21 4057 484.85 1634.16 1018.49 641.35 307.71 1026.66 1286.51 2654.33 2561.12 4400.86 1166.46 2682.07 12945.15 25185.98 711.82 4648.14 2739.38 3688.03 6708.28 2808.11 1473.48 687.45 1238.13 1019.07 1370.72 733.5 611.89 2199.51 751.04 3261.5 1643.4 2835.95 3331.96 2802.75 2764.44 2982.43 3285.72 3344.49 3940.65 3451.21 Botrydial 1468.75 1362.56 24253.29 64510.29 1959.35 45800.17 21116.14 316.95 1477.31 1867.84 689.3 357.07 17391.58 17066 4843.84 8155.77 12350.53 4563.28 1653.74 2460.38 784.55 2282.85 668.53 397.65 483.74 280.65 1177.16 766.43 1286.13 813.28 434.16 231.36 2169.53 833.68 746.73 217.15 729.47 502.02 368.89 449.76 349.38 214.22 3102.8 2622.32 740.17 3808.38 255.77 2105.28 1130.43 1203.52 322.49 616.81 5417.68 5720.76 712.79 1244.35 13756.55 12446.37 803.8 5418.97 3128.13 14755.38 576.25 3807.43 1104.68 1094.83 1010.27 1043.64 915.89 1387.01 329.86 6800.98 861.13 28327.85 4866.27 3282.36 3288.42 3423.58 3454.53 3278.3 3572.12 3383.16 3248.89 2907.48 Pubescenol 89739.47 138811.52 161025.11 134397.11 40117.09 67980.69 115130.38 162312.45 172778.05 149498.29 137874.74 120410.94 72356.36 114578.18 135394.18 124107.67 259320.4 82787.8 144582.63 115166.03 256653.14 158323.1 217647.37 346422.4 311635.75 12986.16 191033.92 144933.58 251104.18 205698.67 84532.83 177285.46 265112.18 333113.97 356151.15 296776.62 220499.54 42124.26 201253.51 142493.98 58058.98 121553.97 299009.27 69481.69 104336.98 98182.31 205560.3 214245.04 204461.72 105596.32 145684.9 240429.66 254149.53 251019.84 169799.66 154705.29 301946.65 202650.12 204851.03 87721.72 267426.61 210893.87 231859.98 150794.92 253267.4 171193.21 25045.39 170588.17 62659.36 157150.12 132684.06 197682.55 255692.18 222458.39 219655.19 148594.97 146798.49 139666.58 148625.64 148641.08 146842.34 148564.62 152294.78 148603.85 22-Angeloylbarringtogenol C 5463.79 7012.87 4789.38 6109.97 5544.86 5359.32 2322.03 7222.56 5499.3 8205.27 8112.46 5038.47 1555.74 9216.49 6707.97 1979.74 4551.92 8640.58 7198.03 1776.58 5548.92 7088.16 8462.07 12075 7288.77 6278.53 6212.52 9722.44 3354.89 3972.19 6560.85 6373.92 6798.01 8004.35 7125.47 7503.96 8338.54 1851.42 11625.3 7586.49 5795.35 5516.93 10813.54 10196.11 8250.33 7168.68 4268.9 3465.38 7407.54 5640.97 7240.05 4547.39 7499.28 8969.45 8591.77 9803.23 2078.45 4467.92 8102.41 2323.3 10038.93 9049.86 8117.9 6538.12 3469.8 3245.46 7930.87 9496.51 7121.52 5983.29 8361.89 7981.94 6672.93 6911.24 8684.73 8526.68 9243.45 8113.06 8788.95 8641.84 8519.77 8530.31 8880.89 9562.31 6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid 14216.69 20723.92 10265.62 16773.08 9134.02 12494.42 11967.2 27804.1 35876.5 24305.34 32940.8 46381.93 37295.1 29431.8 23797.55 33197.67 18119.37 28123.52 61412.1 56209.17 15628.3 16635.07 23911.21 21454.29 22968.29 15983.39 9198.59 18468.46 26272.76 13250.64 13462.38 31585.8 13634.07 13075.27 20226.03 23611.55 23984.87 8331.82 16746.94 17953.15 9374.83 15253.37 18458.62 24514.83 45896.81 45097.48 18618.15 20595 16729.99 46421.71 13407.92 26261.88 21886 33916.38 8396.23 11643.76 11308.18 5419.86 14009.89 13533.83 18065.11 20164.66 32427.52 33284.79 28712.73 36267.31 24761.42 39574.19 30300.01 23165.02 30053.25 33685.69 26480.36 20042.88 35560.62 29885.76 29967.18 28101.93 30031.76 30775.38 29997.79 29881.13 28319.8 28375.85 (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid 62370.89 38737.87 6679.42 32802.84 11544.79 6320.79 3218.57 6378.65 33965.8 29955 54166.4 45048.98 60832.05 46002.93 44515.88 39463.4 6681.85 28932.53 63501.24 35704.78 42332.9 19005.7 31889.78 53467.59 55781.35 10616.14 35165.83 13973.94 52754.06 46197.19 28121.2 40810.49 29663.38 24875.19 39513.16 36299.15 43528.15 26000.42 65013.04 42088.56 29744.3 40461.63 56056.49 46478.26 53043 54949.57 50601.46 40031.41 25684.73 61778.33 44219.56 52396.2 54732.52 73324.75 54800.87 41530.34 7790.32 25394.11 35560.98 8110.7 28162.59 34800.73 42970.21 27612.62 36921.3 49360.33 59842.14 40239.23 44668.31 43349.7 30228.79 45682.14 46437.06 37885.48 47069.49 32958.74 32974.06 34039.33 33495.56 33776.09 33862.51 32346.06 33855.99 33856.42 (3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside 336.93 431.43 373.78 8737.64 10001.42 12772.18 26483.24 413.34 188.64 504.58 685.62 572.27 7743.27 305.12 471.57 303.75 1174.37 246.75 225.24 283.07 302.08 419.36 178.43 171.73 169.1 173.86 503.44 194.67 589.14 257.71 384.12 614.73 164.75 271.62 174.07 230.94 306.39 493.6 267.64 156.66 3885.13 310.83 257.46 407.39 126.32 8627.39 592.73 291.28 194.04 525.91 487.3 358.69 147.93 561.95 149.99 267.02 202.44 207.35 250.15 233.32 141.7 396.9 360.49 670.09 419.26 883.33 400.86 196.85 332.38 241.7 292.71 412.55 353.1 1036.61 885.52 1663.59 1595.36 1562.79 1464.2 1414.28 1524.86 1564.63 1478.94 1199.32 5-Hydroxy-6-methoxycoumarin 7-glucoside 40254.13 22903.48 5174.15 2433.17 30219.22 2090 9612.89 57877.26 69521.83 22615.32 29111.94 39029.25 5204.98 15924.23 47063.35 39107.23 15949.27 51650.33 40212.72 90659 32273.13 1545.07 10128.72 10733.06 28965.77 21989.77 9744.95 12266.58 30358.49 16739.07 38753.91 29420.23 15110.13 8340.84 8438.19 26201.63 25984.07 6078.63 12621.93 4371.68 38118.68 47638.89 9582.77 16499.37 72206.35 12218.04 72826.53 20570.94 12954.07 31657.64 24793.71 25160.25 13442.58 9139.16 39343.99 14006.38 5246.91 6905.53 54443.18 17586.91 2904.57 36665.88 21197.51 17935.19 16662.75 29247 54069.97 22005.4 20889.14 49217.19 53850.29 65290.98 4842.43 8063.52 11499.35 31029.83 29374.37 30942.72 30970.74 30938.76 30936.78 25161.13 30979.77 30048.11 16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone 10683.98 5612.92 17962.46 14431.55 11599.22 1829.97 3164.86 18938.93 4639.11 29868.03 34627.3 30384.69 36484.62 35859.25 16060.68 18379.71 31574.22 10852.75 38723.69 10771.2 6712.44 11107.71 29000.82 19678.14 7818.78 10823.35 12191.02 21418.74 12795.7 12009.46 7129.72 18063.51 1821.07 20856.92 16106.53 5261.89 11466.08 1738.9 28763.65 12813.12 453.18 19881.06 27634.95 27833.34 14126.47 18950 11925.21 20684.69 16056.53 29729.84 2429.48 14132.67 27349.66 26655.39 8085.88 13027.09 14506.15 16644.44 11506.26 9620.68 28707.31 30789.32 3114.45 22844.86 17237.23 29310.65 1817.46 35108.81 34159.1 10156.68 11511.03 39430.45 28104.23 25783.26 34779.72 7143.23 17981.76 7638.28 7648.26 7438.54 7864.47 7671.54 7978.14 7870.14 7757.64 6813.46 7685.87 8012.22 9297.01 7733.22 6380.08 7893.95 8230.93 7534.61 8405.48 8391.77 8302.31 7682.89 7984.75 8489.17 19671.74 19076.9 20797.85 19031.81 19045.15 19711.76 19660.03 19712.95 15463.83 Unii-0421aqv5W3 21162 20614.18 13142.77 30167.73 20344.95 40246.18 20918.14 20739.55 21240.5 16055.71 21473.6 34423.96 49458.58 36522.87 19509.96 26638.95 18038.68 29292.06 29848.82 23288.42 11495.43 10788.11 15228.55 15647.68 14073.9 10906.58 6330.02 15817.67 27623.36 25439.42 26538.76 37084.8 13143.9 16550.05 12221.11 13308.59 9530.47 5629.56 18572.58 9042.94 36245.58 27041.78 14556.9 24014.36 40612.6 29758.84 20637.85 17083.14 25994.33 61095.58 25477.18 29496.42 25604.44 29435.37 17649.77 16799.19 9074.12 11396.33 14782.84 12228.87 11679.05 11593.23 19746.11 15890.82 15955.45 24433.12 32455.9 17769.23 17690.01 13358.44 18616.36 15058.85 17714.42 22922.16 23901.26 23407.87 22594.08 24660.07 23433.31 22809.25 22782.12 22834.4 22300.51 23544.86 12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one 19429.48 36329.12 6787.14 33887.93 23907.44 34886.29 5302.53 25064.91 29006.96 22081.35 24824.41 26516.59 30505.92 16244.84 27139.74 24772.74 15156.79 27477.28 28298.28 35766.51 24680.3 13771.54 14243.95 9708.18 17910.1 14296.09 3658.2 7482.67 23543.67 15397.34 18025.49 32753.68 14033.54 12515.9 10703.71 19712.21 17769.62 4035.06 26322.69 5614.27 34592.74 32142.54 14538.44 12316.71 31381.94 16705.13 29591.88 10344.35 22818.25 24780.58 19428.23 24208.29 17509.63 20765.64 17220.51 22650.13 7544.66 7784.1 24304.26 7956.79 17710.59 16642.57 22372.21 14349.12 16291.49 8533.7 31338.71 20371.41 21100.02 22655.93 21866.9 25999.37 13999.74 20256.18 20537.87 23611.95 23686.31 19738.32 23679.87 23045.87 23094.39 23596.68 23062.86 23099.48 Triton X-100 9223.45 11100.98 3747.57 8204.96 2760.02 2512.36 1132.48 9949.03 6392.84 7316.38 11614.57 11712.7 7426.59 6625.46 17782.88 9498.28 14977.76 9779.7 12677.67 12144.4 7910.34 7631.12 5204.84 8176.78 6176.12 8083.88 7409.46 6886.29 4400.13 7583.86 5470.56 6753.74 9538.77 5777.76 7337.08 4924.91 7565.35 2648.59 6016.81 7733.33 8305.4 8146.41 10383.01 9765.38 8341.09 5760.39 10530.79 9766.61 5032.38 8565.93 3906.23 7735.12 9250.94 8232.32 7658.86 11584.43 8890.85 11426.76 13294.82 11293.95 11671.25 13682.78 9982.35 11406.53 10688.44 9155.56 8150.96 14357.42 16174.26 11097.7 14741.15 8724.99 7077.52 12994.22 13484.66 9027.46 8662.22 9523.45 9065.74 9050.31 8990.89 9105.95 9105.57 8987.47 NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid 4152.76 6582.33 3482.49 5145.19 3864.48 4734.67 4855.27 1929.19 927.66 4312.26 2619.24 1613.69 3939.23 7084.82 5683.65 3970.57 5429.86 8861.05 8148.26 6850.96 3195.26 4250.65 3216.09 2304.12 1566.82 2545.65 560.06 2358.26 5642.7 1086.02 7372.56 6738.48 3845.36 3510.95 3329.65 1911.38 2069.04 1518.02 1172.34 2331.05 3921.72 2625.83 4695.89 4279.09 8372.67 7343.44 6531.06 6696.31 3459.88 8094.34 1338.74 8177.1 3352.12 4901.4 4260.69 7313.18 4353.88 3884.1 1246.52 5136.64 2738.43 3577.47 7048.76 5118.18 4667.22 4288.69 8026.04 3118.01 4069.27 3572.93 2695.56 4844.91 3900.82 6677.35 5122.9 4816.65 4833.52 5214.08 4888.87 4886.88 4668.93 4856.9 4889.94 4779.49 6'-Apiosyllotaustralin 8107.11 12955.83 1266.56 2822.39 1634.01 1045.3 735.06 935.57 2988.35 275.65 434.5 3516.71 12016.91 27006.55 13946.11 1752.64 7027.62 45490.76 14241.51 10232.98 507.03 953.1 1940.3 514.98 326.3 2719.68 1360.65 295.62 8631.57 3858.25 21335.39 31224.6 624.54 627.37 449.22 5190.91 277.49 249.48 2131.54 282.16 22762.29 13557.38 4163.77 4839.79 30406.1 9973.42 12510.81 6139.53 5303.45 31479.36 6480.61 13983.06 3276.35 6894.68 9712.75 16077.88 1974.17 3365.57 379.18 408.38 705.22 572.77 10417.69 2961.1 6915.67 13350.9 28286.9 2542.29 6883.03 3706.3 417.6 876.35 726.3 6850.61 4631.48 10275.81 10272.52 10271.56 10271.71 10139.41 10271.54 10279.18 9986.13 9983.13 3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate 5517.01 8886.75 4937.67 8153.42 7016.53 7421.31 1432.86 4181.21 2963.28 7008.09 6288.91 2922.97 22714.94 7696.54 6740.87 13118.84 16987.63 9637.49 16012.91 7945.39 2247.73 5459.15 2494.61 5784.48 5922.87 4192.99 1916.44 2580.39 4251.85 1399.19 3610.47 6198.29 2016.17 4328.3 3926.29 2564.43 2923.74 2088.68 2844.74 6377.72 1647.54 11062.16 5777.65 7405.39 6742.81 5150.46 7678.45 4802.4 7124.18 20716.93 5588.7 12907.5 9156.55 11513.37 4133.94 21330.32 4561.16 4567.06 3701.67 5907.22 3497.87 5300.39 9692.22 7411.64 4960.01 3429.38 9172.53 3028.5 7614.31 7057.58 5952.26 8452.84 11812.95 10779.91 7875.26 10346.44 10919.63 11043.62 11983.5 11272.99 11356.14 7756.28 11448.36 10511.71 JKC-302 10191.29 15307.47 9576.68 12864.87 19239.46 11634.25 24014.37 10669.29 13318.69 16554.17 14645.63 10670.97 15000.46 14391.81 15014.7 16764.39 16390.56 13175.05 22608.88 12457.44 12508.23 8709.96 7450.68 9393.92 9229.53 7095.68 7976.14 4756.79 2288.67 7158.5 11073.57 2484.13 6728.79 12678.64 9849.9 8002.13 7715.33 10939.72 5162.65 11305.93 12904.48 13926.51 13608.14 12940.55 12583.28 16611.7 14119.57 15923.97 11531.24 10728.24 18227.02 9336.18 13513.88 12640.56 11232.42 12454.26 10256.5 15822.7 15562.72 17549.84 17665.82 16534.36 14400.72 16703.97 15579.13 7848.68 5395.13 14719.75 14395.75 13159.41 14218.14 10154.23 13311.85 7061.21 13997.88 15164.35 15166.79 15104.33 14133.47 15017.25 14956.54 14963.59 15296.55 15174.88 Methyl(7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate 126709.59 119058.87 41150.74 110364.77 26874.4 45703.65 45880.09 91535.67 102221.42 152483.5 148088.29 106452.37 104197.75 149190.54 120994.72 77358.89 40531.13 131394.04 61893.24 118693.65 68146.51 114422.92 47334.8 95860.33 76390.58 107268.55 99916.7 117853.05 50533.01 117840.1 83953.87 73166.05 51488.07 79288.69 95641.83 79653.91 105592.41 61209.92 161904.28 127605.95 102723.13 90731.91 115806.47 225354.46 119720.45 108312.86 103930.19 83736.65 45090.29 77371.23 97662.62 87667.91 99625.69 84860.58 73864.3 128008.72 104215.74 170409.81 123354.87 191349.74 158537.28 180913.57 87393.14 64843.24 114757.13 114025 141887.97 163401.32 196497.53 88076.13 153751.9 155137.16 136377.37 120492.45 131376.25 129059.57 122885.0 126937.68 121970.2 128864.35 127896.84 128261.16 124214.5 132645.29 128610.33 118286.29 135394.15 129686.38 130069.44 127429.16 112964.72 137461.37 132244.17 127302.57 127128.36 134885.68 130873.08 125653.77 135783.93 126200.65 99373.3 103271.35 99211.12 99266.19 100135.95 98970.88 100118.89 97813.29 100154.17 [5,6,14-Trihydroxy-10,13-dimethyl-17-[1-[5-methyl-6-oxo-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate 17193.38 6657.34 3398.47 3423.47 97817.6 44757.8 5581.54 50138.48 33824.79 17716.31 15616.72 51070.25 36298.53 12129.68 28782.66 59897.83 19577.12 44474.41 45598.73 51239.24 16745.32 9011.2 6043.22 1357.8 9755.15 6688.85 2991.97 2439.65 22288.97 9017.49 1062.99 64631.16 9668.52 6202.9 4953.46 7448.4 13689.49 1763.2 921.28 2107.75 21201.24 44696.49 4952.83 6415.65 73697.97 28740.94 20145.82 5050.17 28105.22 82196.36 44620.38 15630.6 9387.26 9909.23 37988.5 10393.29 1202.68 3943.47 38156.58 18912.87 5808.64 8004.5 23948.86 11353.54 10229.12 58021.13 20664.57 14188.86 9315.54 25143.55 17923.94 21431.03 18881.78 11660.59 19342.73 32005.2 31536.01 32041.88 32661.45 32701.76 32290.35 32460.75 29727.59 32675.65 Bradykinin (1-7) 4826.93 5930.05 2546.57 5869.92 6222.68 2978.41 1427.17 1902.73 3103.19 695.81 5147.53 3110.72 10761.08 7840.44 2873.61 6614.92 2634.38 9719.28 7881.58 9927.57 4105.69 3007.71 1334.66 862.25 1387.58 2192.5 827.02 794.62 5532.76 3423.48 6173.29 9735.04 1107.51 1282.91 2871.29 1908.48 2010.56 712.73 723.3 2407.5 5700.02 4197.89 2940.36 3753.06 2223.12 1605.73 3465.78 2065.38 3211.17 6547.36 3358.87 3401.49 4058.43 3343.63 4416.44 3135.61 1640.24 3377.25 2368.58 3094.94 2086.81 739.55 5667.77 1935.07 3354.03 4239.18 11437.09 1147.23 1815.31 1349.37 2125.7 1750.27 1095.3 5632.77 773.38 3602.11 3348.86 3313.15 3292.7 3604.45 3920.27 3565.58 2123.36 3441.93 (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein 4805 4551.93 3058.15 2457.76 12685.92 7690.68 7574.61 15793.19 10485.35 3359.65 1647.1 2427.92 5818.58 5014.17 9567.93 7168.96 1537.8 10532.87 3734.53 2136.16 4894.14 1874.11 2309.02 3234.5 6782.07 3605.1 2088.48 2919.27 1636.9 1197.13 4062.99 4523.63 1795.92 1703.14 1688.71 4473.88 1973.32 1076.59 2367.8 2139.03 2877.27 8644.61 2378.92 1634.27 5696.83 10032.41 6324.05 983.66 3596.82 8875.18 1805.57 8689.48 961.45 4926.44 3380.22 4619.4 1196.9 1815.02 9681.21 1361.17 1965.5 2216.87 7264.43 3702.17 5205.89 8872.45 7110.95 5752.14 2416.28 8638.21 10419.48 1718.49 3007.79 4164.97 5925.64 5013.48 5297.16 4592.97 4991.49 4970.15 3888.58 4315.7 4420.21 4851.34 Meclozine dihydrochloride 1440.07 1745.22 664.78 983.37 1301.69 5622.39 1997.17 1955.43 3584.21 8170.87 2281.54 610.24 1850.5 677.67 723.32 7004.54 1760.94 1912.4 2191.2 2571.64 1890.9 616.23 1319.65 1543.7 2259.58 615.49 559 448.84 798.2 1305.1 1250.91 3139.61 1555.84 1108.84 1374.36 682.74 1828.68 853.96 930.87 765.25 1198.24 1014.56 1489.49 2608.6 3025.05 1851.55 1549.36 2577.52 733.47 3675.33 1464.92 4348.44 1767.58 873.41 1838.28 3499.43 1125.1 2918.62 6026.53 12703.8 926.72 1418.4 2066.68 1099.1 2213.16 1931.37 3366.58 1684.13 3032.33 2755.04 4036.54 1844.27 2581.09 1565.44 975.22 2301.6 2372.92 2493 2238.71 2220.66 2307.52 2425.73 2500.32 3064.22 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one 4068.54 1635.96 1187.67 1208.15 906.93 3025.63 1058.09 4580.01 4411.8 2162.85 1782.14 3361.78 2019.97 1399.09 3695.14 1637.15 1460.45 3833.79 2765.14 6330.35 2654.16 1287.45 1158.15 1291.11 2803.04 1761.83 693.06 1211.7 3388.83 2293.1 3715.47 1268.41 1887.33 1184.78 1022.36 3700.17 2124.39 911.32 1082.35 755.66 3606.7 3834.39 1873.53 1420.45 3356.78 1909.49 4917.68 1664.15 1423.48 2507.99 872.91 1447.48 1725.05 1395.61 3726.45 1546.15 871.15 955.68 747.99 1321.19 1143.15 1775.45 1169.45 508.82 2162.62 2823.13 2620.77 2191.37 1990.58 3663.95 4400.01 1980.2 1779.25 1309.72 1339.25 1901.54 1954.28 1320.65 1706.92 1876.87 1769.39 1874.39 1880.35 1915.61 H-beta-Ala-DL-leu-OH 1427.96 1911.11 1406.04 2797.36 8280.81 2611.65 1771.03 10851.37 9505.28 6614.13 2091.86 6006.38 5133.68 2859.85 20450.79 2865.31 1676.24 5337.92 4544.82 4099.55 1845.2 707.84 1729.5 1250.64 3953.47 3527.5 1695.23 1359.03 3575.94 1356.53 478.36 1076.73 12223.16 1900.12 1061.73 1833.81 2700.19 581.35 2295.48 1471.55 1242.17 3143.28 4296.92 1201.5 2567.94 3360 3126.02 1439.3 2272.03 1718.92 4678.54 1291.59 4180.81 3971.4 5030.48 2350.88 1910.73 3273.67 8983.13 2438.22 2441.65 2518.54 4211.13 4135.06 8568.37 4520.04 1297.61 1797.26 1505.96 6119.95 5499.84 2250.04 2892.97 4172.25 2922.21 4183.32 3704.6 3699.37 3793.82 3701.66 3703.25 3698.39 3619 3781.49 23-O-Acetylshengmanol-3-o-alpha-L-arabinoside 3475.75 5899.61 6261.08 6966.32 2938.72 4910.71 10681.18 4070.53 4477.47 8205.89 7115.25 7980.12 7225.12 4918.71 4277.12 6016.15 9032.04 8250.82 2872.52 1743.77 5159.19 3878.77 1994.09 4522.58 4888.6 3054.72 4414.14 2672.38 3307.74 5218.75 3542.09 4848.61 3418.4 3959.93 5377.78 3759.4 2385.79 2821.52 2606.44 3737.87 4698.88 7578.86 6016.81 4093.56 8515.55 5901.97 7726.11 5734.09 5671.68 8029.26 5928.89 4907.67 5608.43 6084.5 5384.34 4406.21 4088.99 4243.93 5795.4 5888.3 7254.82 2879.12 6891.27 6793.45 7761.6 1885.32 6541.1 9378.55 5675.41 3989.28 5557.17 6608.02 3970.61 5498.83 7181.09 6512.02 6086.07 6104.19 5600.29 6329.85 6210.52 6089.43 6097.96 6160.15 Methyl(9Z)-6'-oxo-6,5'-diapo-6-carotenoate 3329.15 2302.86 6368.7 8282.94 6130.63 1808.22 834.86 3779.36 4755.64 1820.69 1361.11 2541.79 8102.03 7790.95 4653.15 4200.42 2502.95 5464.15 7313.76 6830.9 3997.01 2014.78 897.14 3622.31 1171.98 2261.61 1284.7 2121.7 2953.38 3401.34 1433.56 4920.35 2408.48 5211.88 3892.32 1768.67 1138.71 1692.18 1674.11 1629.58 4666.74 1941.05 5652.2 6684.43 4673.56 1697.68 3093.83 2798.36 1845.12 11344.62 2701.27 5373.28 4211.6 1927.13 4958.1 1740.43 5993.72 9333.3 1863.78 1529.89 1015 1154.34 4037.82 3467.52 4454.17 4730.12 5060 3445.24 2930.06 3025.68 894.21 2403.8 3107.21 2794.62 3085.89 2715.17 1615.19 2928.63 2397.79 3027.21 2517.86 2830.95 3232.66 2395.54 Z-Cys(Bzl)-OH 1282.92 565.54 2176.05 1179.59 4614.41 13151.87 1411.33 6014.31 3468.07 5835 3116.14 1729.18 1450.65 3281.64 849.86 2387.97 1567.34 4005.65 7847.44 1300.86 1137.08 1171.81 978.75 1152.28 2580.34 929.26 757.33 908.24 3533.13 1132.18 653.17 896.43 873.35 479.6 689.42 1422.33 1590.81 1954.87 1883.98 846.41 1133.93 7290.68 1417.02 1362.03 5128.31 4224.54 2245.99 1692.56 1774.79 1629.87 539.24 1143.13 2180.77 3168.63 1578.69 903.38 1680.74 2246.49 3939.17 1861.37 1991.14 644.69 2777.48 1659.38 4032.15 2129.01 1371.38 1537.27 1362.31 2864.02 3227.63 4467.17 4165.23 4589.8 1145.85 3819.15 2949.8 3664.4 3620.27 3474.92 3268.92 4191.96 2146.06 3587.73 Zapa 2742.12 3788.84 2870.86 1851.92 2647.26 3797.07 2555.83 3602.25 4256.42 1427.63 1637.78 4982.13 6993.37 1142.58 5565.51 3669.13 2675.58 4518.21 2374.25 5808.15 2907.21 1366.77 1285.62 1725.42 1649.23 1100.44 980.92 1351.09 2155.66 825.81 1832.64 919.34 3412.18 1105.68 957.88 1747.24 1531.72 997.81 788.7 750.02 3404.75 1402.3 2936.87 634.58 3256.64 1193.76 5111.47 1906.05 1683.55 2835.8 711.32 4843.01 2026.51 1411.06 3242.64 6282.9 3469.94 3596.54 4953.06 6948.77 2171.33 2373.28 5565.06 3537.1 4708.63 3377.34 8784.13 3826.76 629.84 2294.35 4197.12 1091.42 1032.33 3134.17 1884.62 1905.1 1968.18 1875.06 1889.72 1871.12 1832.96 1994.3 1890.35 1401.63 [(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate 1388.49 2371.63 2005.64 1151.35 1900.98 340.58 2135.91 1030.1 1007.94 1962.9 877.56 2001.56 1501.79 1759.65 407.27 3338.31 1973.75 2654.2 1066.93 738.11 1042 663.73 629.75 620.3 750.12 478.76 945.57 804.96 1026.28 516.51 333.38 678 685.32 761.42 903.38 650.53 622.7 374.66 668.83 760.09 544.19 762.19 652.7 1177.71 557.79 1196.23 1598.11 891.61 1598.57 902.93 467.36 499.03 581.9 1217.54 497.83 484.34 640.98 399.62 414.4 977.73 513.37 1035.3 412.63 1473.2 862.53 2246.76 438.38 543 1818.92 689.21 1259.37 1056.13 831.93 2419.9 2998.87 1160.2 1111.08 1357.77 1248.6 1244.17 1127.49 733.7 1267.72 1251.59 3-Hydroxybenzoic acid 6092.35 5550.3 6513.71 10084.68 14627.08 19283.92 17525.08 7786.99 5463.99 21487.13 12879.8 124365.05 12086.22 7860.89 14422.8 15967 2210.04 24536.09 24820.17 2027.39 4612.1 29300.35 5695.55 6309.77 17634.58 6658.93 4157.14 8597.05 37635.36 978.68 2759.6 13458.65 4743.03 3556.96 6544.96 34279 25005.66 6432.88 28014.75 5336.93 14185.63 28043 9776.15 4323.04 69759.28 21421.71 7175.22 8841.54 9137.47 11823.51 20530.9 9151.55 16730.22 12537.43 42555.07 6379.77 7936.16 12353.84 12502.64 27517.8 11319.13 8081.75 6670.88 13438.01 9207.88 64266.39 4229.95 14001.61 12964.03 27644.98 4917.61 16518.55 11595.93 25489.73 17150.23 19623.21 19614.62 19771.63 19887.59 19629.28 19626.6 19832.81 19216.4 19703.2 2-Naphthalenesulfonic acid 2053.88 832.07 619.28 7236.32 34777.19 1248.51 3104.7 4120.5 303.02 4231.22 1314.51 840.59 2703.93 3331.01 594.87 5512.13 2596.77 1566.8 1491.18 3488.43 5373.74 522.53 1449.84 448.9 2343.23 325.83 2168.08 2024.58 580.59 3421.16 556.58 2225.85 2187.12 1698.86 1948 1066.88 2480.14 239.9 1851.63 1064.92 572.58 361.32 1255.77 1239.96 904.02 4998.34 1879.13 1611.3 1030.69 2319.73 259.26 1927.61 3109.6 5087.36 1406.32 1672.95 755.78 2326.49 10689.55 1665.67 3754.44 3242.14 604.18 2459.22 450.88 1944.51 3034.61 3612.11 4083.71 3813.96 1994.16 1839.8 2089.13 1964.67 4403.5 4869.17 4936.06 4934.08 4933.05 4932.99 4892.78 4873.05 4870.64 4763.93 3-(4-Hydroxyphenyl)chroman-7-ol 8742.58 86316.55 196040.6 74991.97 52707.41 151052.11 121523.89 20131.99 27875.01 77890.78 135099.75 185299.2 125507.71 51758.44 58991.86 201933.32 700086.4 34649.39 155435.02 23666.18 19638.75 139096.96 116370.33 102123.49 15631.28 16983.65 118326.96 49318.95 33958.24 20685.81 7260.2 72977.18 117942.69 113814.19 120998.36 16759.91 16154.8 45566.97 73475.54 63693.86 16946.37 18212.3 331078.66 235496.42 25386.85 75470.98 25039.11 187517.87 38987.26 32985.37 10776.72 89064.03 108736.15 87907.8 56800.97 285082.96 542262.62 318356.75 33007.46 151124.45 249927.14 381316.01 56351.97 310980 135123.44 51136.84 154207.83 210427.45 224848.48 26476.4 49828.35 76859.7 90282.16 250544.91 147909.85 1944.72 5608.05 3588.35 4116.7 3668.88 4216.82 4281.45 4410.58 4146.51 4180.84 4204.14 3698.91 3423.84 3927.73 4259.41 2938.01 3539.87 3791.74 3528.77 3858.14 3232.82 3614.16 3868.92 3601.08 4212.33 117093.32 117173.14 117607.69 117608.98 117100.29 117147.81 118410.5 117089.15 116867.14 (8)-Shogaol 1111.46 24884.19 32699.59 23005.45 29929.8 23961.42 323139.33 60147.48 5597.53 2263.02 8472.12 23952.36 23699.8 532004.49 5993.43 5095.21 71519.38 1052.03 40572.77 18187.96 2348.88 1053.08 18938.96 20311.16 17489.35 14226.31 19286.6 30173.26 24464.14 23071.67 8981.37 15554.73 28232.7 28377.87 3396.34 16409.66 24954.79 26659.54 13027.48 34849.4 5004.74 12874.26 1261.52 18566.87 22750.16 25572.48 99025.63 23038.93 21386.22 14870.21 16631.1 4445.21 22657.8 2220.92 2721.52 1541.9 26181.43 25538.81 17734.95 8096.82 21265.37 24202.76 5848.53 28749.13 29927.54 19300.36 202683.53 1076.3 22227.82 4712.31 1826.77 26919.03 27855.06 23821.35 1391.86 9894.7 9401.19 9389.37 9892.46 9156.35 11551.5 9489 9452.35 10609.41 Stearic acid 91807.84 61684.25 42772.43 38127.89 22989.2 36455.07 85715.05 37095.44 20779.54 77676.08 51138.29 36228.44 20955.29 15155.72 32010.81 32890.66 63146.53 34538.65 51108.34 26025.49 49093.35 53430.94 51156.83 75976.22 90944.09 50930.5 58275.28 66864.39 40482.84 45496.88 46178.18 17662.18 49373.51 91892.17 52086.32 45034.14 22633.25 140218.95 41421.51 55966.81 31485.63 27806.42 50343.2 58486.35 30895.6 29880.37 22291.69 33558.74 52468.38 31821.57 41002.59 24338.33 32726.51 33130.75 39487.61 56833.06 39523.84 71609.64 54008.77 53466.61 51171.7 62851.91 22753.17 35027.63 38863.87 44283.67 18601.92 27648.58 20812.6 28697.87 31947.93 117006.12 34524.2 33710.72 26342.22 63098.92 34248.25 39227.86 38622.58 63957.32 45975.65 40320.77 24691.05 66573.05 43475.14 36117.83 28661.12 27860.88 38008.74 39361.07 8460.47 18200.1 60847.03 79437.61 38781.74 34796.92 39709.52 74450.17 34387.92 40017.92 20901.75 20164.78 19427.31 20129.3 20399.68 20117.48 20584.43 20411.05 20487.82 Cariprazine hydrochloride 70868.97 96105.87 15791 57663.8 20630.38 32098.97 67629.15 25286.83 29435.92 124058.82 62324.31 113084.17 159996.96 156608.41 125281.94 39586.22 49542.38 280242.44 131028.02 370702.4 11303.28 12973.51 5153.28 4589.57 7847.88 15696.89 7980.72 9167.42 101231 30007.96 124921.04 161330.77 7233.68 25546.49 9285.78 50906.25 7089.26 4752.75 24693.98 6315.25 354353.42 160762.04 30370.31 47928.21 215647.47 114579.99 54597.21 81554.59 56689.59 161144.63 28748.53 141686.98 60631 89676.21 33689.69 118312.86 17013.35 23666.79 12427.38 13817.66 19090.32 9046.71 30321.11 31491.23 82594.4 117738.83 277867.84 24902.55 30087 14382.78 28002.2 26260.59 25176.46 32701.48 73944.97 79504.77 75651.81 74653.35 75219.27 79943.91 75793.09 79885.05 41288.65 80210.63 Tropine 25665.06 19028.99 9543.96 10389.43 30757.29 29828.53 3032.12 30908.61 35355.03 3295.11 12661.34 4988.93 15445.36 11083.87 46815.19 7886.44 8418.66 15791.45 4579.77 875.87 14270.24 4299.98 5445.89 11203.13 13456.72 3342.31 7824.95 10185.77 27125.36 4499.75 9687.08 795.86 2238.97 44794.23 13027.88 13369.07 29181.74 738.84 11997.97 26389.32 11878.41 600.8 2888.37 3892.68 2736.64 12880.3 28480.09 21473.45 3914.81 4346.4 8509.03 2504.58 10747.25 49866.62 19308.44 25155.51 17496.09 11222.62 6649.16 5992.09 15468.85 9896.76 31918.16 5219.34 1978.07 60914.42 7044.3 4015.44 21530.57 27427.74 29247.68 3310.36 14400.45 17130.41 30216.94 20808.4 20105.84 20105.46 19586.94 20068.41 19957.21 19591.58 16720.73 20103.99 2,2-Dimethylglutaric acid 7606.36 8423.41 4773.71 7640.13 10826.13 10711.96 9082.53 10316.44 7821.48 9639.66 10242.12 14217.76 9570.34 7719.06 10730.18 9942.9 9957.51 12434.73 11373.53 13535.23 9186.53 4796.68 6900.49 5703.17 8050.74 7437.54 4770.76 6606.59 4492.12 7203.73 3750.21 8252.69 7272.07 2830.02 6229.23 7932.75 6932.37 3231.08 7484.29 4891.42 14372.56 12085.43 7286.52 7796.32 17213.37 8735.65 14311.45 11864.93 5617.53 10822.36 7897.04 9681.28 7256.81 7815.76 5783.61 10143.77 3762.94 5555.76 11870.32 7528.24 6888.91 9015.13 8823.24 10264.13 5212.24 12570.2 12672.9 9827.37 8271.16 16925.77 15530.94 10306.22 12087.22 9266.74 8827.72 11655.65 11557.04 11870.08 11484.09 11372.18 11653.19 12802.18 11142.43 11357.5 Marbofloxacin 193816.35 59281.59 19065.33 38918.47 545627.24 318649.97 27286.79 245798.19 273130.08 533.31 1151.43 361001.3 831.72 613.72 286654.81 605.75 2030.47 144978.66 2137.32 258119.6 268015.18 35618 32032.87 758.87 90196.27 150818.06 34786.26 67667.1 92466.93 42725.28 137376.14 89034.35 109011.19 35587.25 25579.01 105964.32 83696.48 25604.67 54534.23 40760.54 163967.88 507504.26 1127.84 630.48 532028.02 1570.48 207795.86 146825.51 2244.2 170775.51 379057.64 177733.42 47677.81 861.31 268084.68 151019.92 13354.68 18976.66 224289.91 160571.91 370.81 772.79 192598.04 56723.76 525.71 283040.45 175646.48 800.19 449.55 182647.81 263698.79 1164.86 706.4 746.08 1504.78 149548.67 154276.17 150862.62 150840.9 150770.94 149344.49 150854.13 148297.78 150409.27 (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid 8876.26 2073.39 3175.77 3150.47 20783.01 14542.3 19948.71 17068.17 13543.42 14060.96 12324.95 14198.93 8042.96 7290.78 14830.71 13789.44 6815.65 15517.77 5365.49 2006.54 4339.37 3954.29 6045.73 3746.45 7217.88 5630.45 2695.99 3995.95 5190.12 2083.03 3541.37 2208.89 3892.82 6724.57 2312.75 5478.98 7047.88 1786.11 4955.51 3451.68 15256.63 38000.78 8231.95 8237.31 15291.45 9183.8 6639.27 8314.53 3916.01 16198.81 8240.33 12528.06 5044.65 10121.73 6658.74 9074.74 938.63 2990.55 13319.56 14406.53 7723.9 8806.43 9419.11 9889.82 9169.38 14699.04 8296.01 6613.74 12044.78 10243.31 13134.72 19324.26 7524.31 14415.88 8634.54 9919.04 8915.85 9236.33 8525.22 8987.13 7659.7 9211.19 8781.46 9034.68 13-HOTE 2251.11 1878.73 6489.25 10602.79 8905.21 24045.36 9507.24 1221 3165.61 1785.53 3332.34 6193.29 11877.39 3520.64 5251.87 25250.69 14193.46 6200.61 5476.54 5645.94 2789.46 1643.66 1554.04 2503.91 705.91 1055.3 734.95 996.84 2151.97 867.64 1593.58 3952.94 745.25 2076.5 5217.38 1029.29 1584.75 667.94 1555.78 1690.25 4923.99 3388.52 2506.4 2693.17 5419.53 7088.54 363.58 1778.86 2145.69 17224.26 1673.15 3596.15 2571.82 10133.58 3517.06 4170.17 7637.07 3388.2 994.98 6955.72 4000.77 4348.16 2982.56 8449.85 2829.9 3100.26 7365.83 2371.74 2810.42 1881.42 2507.52 1414.58 15829.77 13665.73 4911.08 6773.18 7535.54 6776.63 6720.31 6948.25 6945.59 6727.56 6435.51 6931.08 Flibanserin 29189.56 17633.7 14870.79 22321.11 33831.03 60893.16 12689.97 23384.6 15818.44 25512.46 22867.34 6731.8 36898.99 32870.36 38679.42 44539.98 17162.86 52595 58032.88 75367.19 9162.24 23966.4 13844.65 6122.08 8513.22 40983.85 5444.89 6321.44 19126.54 15143.38 13007.04 76582.65 37297.15 16438.23 8883.51 8554.45 15597.31 12900.5 14668.05 5960.07 18247.48 11838.33 17883.52 11868.48 43237.62 32646.62 20409.68 5056.81 23679.93 73383.87 15085.49 25038.27 20762.56 23413.09 27087.6 30352.01 12062.09 13888.27 10755.43 35973.23 9621.78 10441.9 12038.46 25081.52 26068.73 32535.91 20580.61 19441.66 26967.11 11940.93 15024.82 57835.68 12875.83 34113.38 29924.51 37836.27 47549.52 40980.17 38044.58 42471.36 32197.82 38216.84 37760.16 41391.73 9-Oxo-nonanoic acid 5835.05 2053.51 11374.71 164198.12 368626.59 359705.35 661166.93 12576.94 6827.79 6129.01 6133.76 13845.49 162035.91 5980.35 9213.17 26167.18 11925.27 10177.88 9976.17 4512.06 5509.25 27535.62 2802.04 2073.6 3851.22 2647.26 2444.12 4489.76 7063.25 1090.65 1703.99 8352.45 3931.7 8855.54 1288.01 4170.73 5887.85 3007.88 3959.67 2005.26 129435.44 20622.47 4458.23 4120.12 5573.67 182987.06 6361.11 7027.7 899.71 10874.91 8855.99 2318.79 4704.09 12891.5 45167.79 8265.25 4670.52 5425.78 11038.38 21470.27 4076.38 8580.51 5730.93 13215.44 5098.98 22261.26 4429.2 6420.82 3220.75 5388.76 3057.98 6235.77 5816.67 13557.38 23998.6 57524.31 57859.64 54909.08 57854.34 56854.46 57868.18 57829.64 57262.54 56825.74 3-Hydroxy-alpha-methyl-DL-tyrosine 12224.43 10663.79 12079.71 19894.09 12980.95 22306.16 40691.54 10834.29 13994.21 20400.66 54066.29 41842.56 60327.9 48173.76 14121.43 33646.72 26656.64 11542.99 16734.27 1994.07 8275.43 10586.7 27844.07 31059.6 8958.64 13161.16 19145.7 27447.89 6691.91 6223.22 7097.27 18019.97 4794.08 33960.07 26167.22 9288.31 13997.42 7063.92 43318.3 15743.02 12804.38 19870.21 37394.37 46880.76 15847.64 39119.32 8426.48 11386.48 13916.98 28506.37 20180.32 22914.68 49129.34 53755.77 16460.45 15795.56 18129.09 13152.01 11777.53 11438.77 41517.5 25107.26 17509.93 26314.55 17399.14 22904.74 15184.49 34751.27 35683.13 13450.41 6380.05 25958.82 28632.26 16901.1 50961.22 22770.82 23166.72 22781.41 22783.94 23293.89 22780.36 22884.53 23029.41 21884.31 (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone 25426.28 58879.14 43700.69 86178.89 40258.5 85800.47 56632 26690.43 12774.38 75309.73 49014.45 28290.5 170773.17 56905.63 46756.63 37406.29 61652.86 27736.78 66355.78 12238.5 19136.09 117590.17 50300.9 23963.86 21642.64 51909.8 14632.17 22291.03 44871.95 1969.55 3140.49 37736.96 32309 45910.4 39905.17 17621.93 19950.26 21328.61 63252.08 20041.22 2457.06 25062.27 77423.25 53377.91 25602.02 50820.65 17331.06 28160.47 34471.09 35957.23 31233.08 83211 38551.78 45878.38 46015.24 62351.24 40939.72 63312.97 34486.36 164434.63 43711.31 51424.45 54566.05 55918.51 41166.32 47313.77 47725.71 32613.43 33430.02 46445.51 11733.2 96308.39 22133.48 91414.25 46931.28 5422.59 11500.19 7341.23 6262.46 6432.27 6340.47 7019.31 7506.46 4853.07 6509.75 6295.58 5771.95 5343.56 6131.74 4171.79 5551.99 7446.62 7233.48 6742.63 6275.69 6756.7 7129.2 7809.41 6075.92 6026.58 51389.22 51379.91 51229.64 52077.56 51390.92 50973.09 51152.28 50107.52 50803.22 2-[(2-Amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid 34648.75 16562.98 11380.8 14794.01 111393.16 22919.72 26069.98 46888.61 44634.52 37597.25 16299.62 64772.93 51894.3 31497.35 37488.42 51435.62 25027.34 60827.8 49276.86 28798.46 50432.36 25290.84 18523.51 15451.67 35959.06 12309.16 17419.27 14548.44 44659.53 41727.56 25433.91 74396.79 28459.52 18730.37 16675.49 25090.04 34466.39 7763.82 14631.23 8026.46 37668.72 62130.4 22593.31 22315.3 64428.85 36934.77 29237.66 22209.84 55136.21 51538.41 57520.76 37305.78 30889.62 25101.96 62930.04 28765.96 12217.05 14576.37 34868.96 38034.63 25036.75 29347.63 45898.75 31330 21395.28 61884.49 33924.25 28469.46 18253.51 42733.9 27221.04 35260.23 15088.36 20850.76 27159.67 40253.48 40282.62 40261.9 40764.27 40321.01 40639.74 40738.07 39806.44 40262.63 2-Dodecylbenzenesulfonic acid 194045.11 183847.39 131298.36 418119.97 591496.52 127384.42 210314.01 221004.98 187072.99 344671.09 224258.71 191882.64 121493.7 243182.65 159362 219339.89 336556.74 150977.6 173911.57 116437.76 205573.95 82946.12 93989.75 105315.1 113681.08 45871.32 47000.56 66701.22 112519.07 209022.63 74750.83 96657.2 86689.77 151417.54 96245.51 70650.62 113657.63 28316.28 122437.69 80471.06 198986.23 140376.61 135189.69 396757.86 155980.3 185147.07 170286.87 161507.08 133308.97 112438.73 125017.02 251353.75 253061.63 189588.46 168963.74 108668.33 127654.2 183525.17 525864.87 190359.44 392089.71 187386.88 223790.57 166746.77 242858.08 149214.79 170601.96 263263.79 215550.51 186106.71 199242.37 263529.06 164506.46 205702.83 182233.16 184456.97 184007.64 182701.31 187906.14 181989.93 164830.74 186307.7 184236.37 196991.65 2-Propylglutaric acid 12501.75 11879.75 5122.52 11553.87 21515.89 14498.78 15102.14 16264.91 14670.84 10639.53 14366.7 21029.96 25890.47 21867.81 13782.71 15447.47 12379.67 26158.12 22976.42 16696.28 9089.22 6050.19 6759.65 6463.57 7610.26 5921.18 4358.69 7470.35 13315.92 5184.11 12092.82 30505.14 5277.45 6024.11 5797.01 11429.74 7672.71 1843.15 8566.11 5180.39 20286.78 20753.46 10618.56 11533.23 22200.42 20213.42 16275.08 12227.21 10653.36 27207.79 16396.98 18614.92 12010.93 16295.81 15075.1 14541.85 5164.52 5895.06 11743.84 5637.55 9302.53 10061.69 10242.91 11060.55 11204.37 20802.94 14541.23 14098.15 13915.87 11323.46 9958.34 11711.58 11629.35 13683.51 13465.44 16463.5 16493.44 16498.76 16347.37 16658.59 16486.97 16428.22 16262.4 16346.76 (±)7(8)-DiHDPE(A) 341987.18 283599.06 59172.52 91602.79 371679.02 77980.9 156807.85 542249.34 264428.6 109343.79 237729.33 373939.69 537812.4 437153.5 352112.46 165697.69 208726.59 421479.49 756199.61 168715.76 237605.75 87015.93 211180.62 148811.99 234084.69 215304.62 162478.41 77746.36 235364.36 27000.03 119391.49 243400.15 146738.17 248462.08 147406.01 607542.75 489416.54 44373.91 202076.78 87414.73 162039.93 257703.04 252357.25 145439.67 684705.3 160986.58 319390.9 372414.92 411574.89 308771.26 724180.15 428211.13 1014490.59 324770.08 441145.17 266890.16 192432.32 26272.53 541061.73 133945.66 767570.13 539862.93 504618.67 311631.79 248038.76 426486.67 172013.42 178874.32 205577.36 830466.3 342711.69 213359.93 328304.97 80394.23 247043.08 322654.61 321401.99 322077.19 327211.27 322623.83 320899.81 322625.5 320427.94 320854.41 Ureidosuccinic acid 16797.1 2704.21 770.39 3776.08 26843.47 7016.74 6202.59 19580.16 13502.79 11256.7 6536.14 11788.73 7499.25 7889.14 22655.32 11718.9 11500.47 16712.53 15676.88 24602.7 11749.86 2716.62 3620.73 5373.03 10418.19 3986.51 878.77 2649.13 20305.54 8061.28 7594.22 5186.6 6507.89 5703.55 2312.74 8749.8 8573.54 387.32 2797.86 3881.57 8547.2 21788.61 6294.48 7900.89 15986.85 10245.06 30476.11 7004.98 4401.63 16271.74 12619.35 7328.43 5527.44 7021.94 14078.84 3866.64 2406.35 880.77 22604.56 1181.52 1272.42 412.64 12012.03 7933.74 13802.3 17616.11 8568.47 8773.45 6965.56 18551.95 16625.26 12590.26 12376.49 5911.78 9474.21 12206.62 12317.34 12267.4 12363.16 12279.83 12322.5 12491.11 12264.36 12280.25 LPI(16:0) 8850.25 18178.62 32051.12 35501.78 22403.67 20224.09 54628.94 24000.32 16026.21 14981.34 17272.77 19673.82 20639.53 34469.09 15330.28 16201.58 18815.58 10811.37 17290.37 10293.22 12856.05 9089.15 6734.91 9466.08 9509.1 6920.23 7175.31 8443.17 6762.91 6934.5 11427.6 6198.55 888.75 9888.84 15254.67 8767.56 6740.12 8746.61 7110.58 8709.57 16259.25 19981.41 15839.67 13440.06 20708.72 20226.35 29327.66 15566.09 3743.69 15309.01 20991.05 13291.73 13945.19 15771.58 14222.77 13682.86 13165.07 19460.17 15262.32 16960.23 15711.06 18708.99 23705.78 21154.34 10978.78 11830.84 28761.31 21109.62 17737.33 16750.84 9852.55 809.18 11059.19 7060.53 18617.85 4088.58 4779.87 5767.15 8060.99 4988.86 4558.5 4158.38 3671.15 3539.18 4019.26 6091.27 2570.09 8640.02 5129.82 6266.87 8401.04 4025.14 7131.84 8921.35 9707.09 5520.75 2871.86 4172.08 3796.69 3817.5 19054.73 19153.37 19167.51 19472.81 19146.43 20527.43 19422.41 19477.52 19482.22 Nimesulide 209.25 293.77 1963.39 49307.08 4313.78 9147.94 19876.95 364.79 104.07 1786.2 382.25 270.65 11763.92 119.93 146.04 3976.13 128.17 1055.4 861.82 803.14 276.55 2987.21 137.99 200.51 314.68 1245.88 148.84 370.89 133.34 516.56 249.68 1025.75 1775.32 3605.33 682.84 168.71 249.99 1397.24 633.45 122.67 852.41 182.39 395.79 377.11 366.06 7454.18 218.22 222.98 1511.11 1038.2 781.21 166.32 411.7 2692.67 2942.54 298.59 1673.17 160.88 717.11 471.68 647.02 2553.78 229.87 210.9 339.16 1105.32 328.35 325.03 391.34 407.55 308.05 205.5 108.45 2613.8 1869.43 2735.87 2734.6 2832.78 2733.79 2590.74 2713.39 2719.66 2666.1 2735.29 (3R)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid 39925.73 5767.61 956.12 564.76 5790.04 1002.83 2451.51 56550.96 58177.23 18514.34 2759.1 21929.78 4791.47 3868.88 24832.78 11493.98 2561.64 28034.36 20285.35 81241.89 21263.52 821.17 2053.02 1808.71 25986.18 9254.62 757 10944.37 37934.86 22559.83 37218.47 12757.92 8763.27 1187.49 1224.97 22984.11 21895.99 1163.39 1988.53 2111.52 41167.55 31101.89 1594.18 2198.7 38876.45 5673.59 69812.55 7583.53 21328.19 45982.55 10891.98 1240.12 2385.6 1708.73 14341.77 2608.13 990.11 781.11 23201.34 2749.91 768.32 492.57 657.52 2301.16 13756.33 23860.67 13858.13 13493.21 20724.57 33574.63 42275.91 13088.9 23262.13 939.69 3388.71 18098.42 18379.28 17626.4 17966.22 18729.63 18859.66 17917.32 17523.48 18402.41 15-Hydroxy-5,8,11,13-eicosatetraenoic acid 64052.8 16094.06 3496.57 1575.74 20831.74 24079.94 12782.55 32764.98 103318.32 10066.17 10255.75 26735.75 9835.36 6647.93 165401.72 16491.83 10759.69 19015.24 11631 30831.76 26780.49 19064.35 4310.4 2016.15 21954.68 81730.55 2856.86 2454.73 31366.21 17969.03 28762.29 25447.65 27570.08 1607.05 2375.53 11432.03 15089.34 11011.21 1355.46 1237.51 39297.13 51512.1 12031.45 9976.01 73895.98 13695.34 46268.67 36615.93 22434.19 8536.68 31740.71 43114.93 6996.15 1942.84 45049.76 21523.56 4280.31 784.13 72721.18 34139.98 7781.5 3335.19 63629.12 4047.05 2836.04 35859.8 28247.6 8770.7 5872.22 19946.54 31875.85 10015.94 8304.13 6794.53 7314.41 26688.73 27191.1 28399.51 29681.51 27483.52 32948.62 29184.28 29579.83 30560.98 Uridine-diphosphate-n-acetylgalactosamine 3074.08 12150.03 15983.19 11689.18 3459.95 2872.9 7576.76 2141.81 2239.34 1145.03 400.64 3274.35 598.98 5620.2 2583.48 9764.91 19278.58 679.4 2978.12 1805.11 6606.37 2746.68 3326 11154.36 739.6 420.86 1036.26 1382.16 3356.36 1757.04 1909.29 2675.15 1903.79 1938.85 1681.21 475.79 4483.3 1452.08 6442 2233.63 882.36 2338.84 4867.63 13192.86 1095.98 2725.69 1876.19 2309.69 2371.6 395.8 942.76 5168.19 2871.6 719.85 5101.91 8376.38 47457.87 5161.51 1543.6 6765.79 16213.33 6609.86 5995.11 1195.87 704.89 4654.6 2859.59 9397.66 13777.27 3327.83 609.04 5730.85 4144.75 725.66 5036.71 30332.41 40318.0 23023.89 22936.97 16037.57 30792.78 47896.94 24580.09 61194.03 75610.98 77730.01 81837.61 40584.82 20054.33 48332.5 18511.47 39977.47 46944.06 17965.56 51994.29 45926.65 43734.64 35272.88 54422.86 46478.03 4527.45 4525.76 4529.2 4525.69 4223.94 4529.67 4461.55 4529.59 4462.69 Febuxostat 264979.84 90115.85 2230.89 20539.76 262918.34 27324.18 49966.33 403619.73 221433.03 73451.35 78884.88 290114.64 86180.32 127008.69 121418.1 127635 87894.93 328578.3 204841.93 165453.92 225151.74 11344.08 4847.58 16144.72 333764.21 88297.8 53980.1 166782.01 280199.24 299112.57 390641.65 166486.24 50486.21 10144.17 12055.34 352509.31 204504.08 1797.21 77691.5 77435.05 494102.34 389162.65 36883.11 74636.94 347088.11 102617.21 284859.91 115279.24 179523.76 222216.41 241152.71 71153.23 43421.71 74657.68 255236.89 30387.33 4330.74 12476.47 210568.39 4703.85 42230.26 446.73 76179.11 14620.27 41540.14 246181.33 114873.33 220919.55 227389.91 267479.07 104662.36 140194.82 208601.23 48835.4 76064.79 201432.17 201455.11 202418.98 201443.61 202579.77 204687.79 201453.95 199435.03 202590.1 3-Methyl-2-oxovalerate 9644.07 7853.7 5166.29 10371.91 10506.05 14711.16 13390.22 18905.1 8566.1 8719.44 12048.82 16045.26 19873.27 11701.52 10755.85 16664.13 76979.37 14152.45 22396.82 19744.42 7227.99 3943.84 9107.98 7516.45 5298.47 6136.21 4687.34 5459.19 11372.5 7044.95 7549.04 19276.11 5918.55 7498.24 6285.01 3435.73 5500.61 2722.73 10943.79 3973.44 10327.79 17378.49 8344.42 7899.46 13078.53 19132.02 16290.33 13684.7 10333.76 23764.1 10735.22 7108.82 9291.36 7140.68 11944.55 8373 4003.36 6717.03 12334.69 5821.74 8924.02 8500.78 11264.33 9999.94 15138.43 13989.19 7939.44 10576.63 14916.83 9974.55 9896.24 16854.64 14999.35 10362.4 12444.8 13517.88 12895.2 13746.21 12590.49 13041.54 13541.34 12996.65 12965.66 13592.33 Cortisone acetate 3232.09 3860.17 991.7 507.53 6486.06 60288.39 1883.14 276.29 4167.78 12400.5 2591.69 11263.44 17066.24 12525.32 9343.39 4101.31 6573.45 7842.23 14570.78 12686.47 2631.93 1114.46 1258.03 850.53 274.29 2123.7 462.18 257.34 3790.02 1500.24 2521.91 5046.62 372.8 2276.23 631.46 414.91 1527.73 872.37 1784.32 289.56 5922.99 4085.83 1528.61 1173.71 3217.33 9794.07 1404.29 2067.29 2583.21 25978.32 560.59 3614.87 1704.86 2989.45 1936.52 4095.03 736.94 1239.82 944.71 2196.69 306.26 705.24 912.54 1337.4 2400.04 962.16 5841.64 1125.99 1702.49 1307.5 997.33 13819.7 1869.72 6837.73 2822.71 4653.67 4923.51 4914.25 4928.1 5770.98 4656.09 4836.81 4643.83 4846.08 bicyclo-PGE2 11026.34 4499.56 539.03 538.37 14033.84 3174.56 880.36 22109.02 14045.4 1713 341.51 10605.6 769.46 1249.72 10398.23 1050.41 1000.07 2758.38 1316.03 792.54 13336.65 2852.47 1027.29 1105.95 16178.61 16391.41 1905.37 940.02 4037.35 279.15 2568.83 3550.92 2993.15 758.77 404.05 16121.18 10498.69 1987.96 760.87 497.48 2063.54 20823.31 1102.17 1035.92 15837.8 237.76 4121.91 3526.64 429.01 780.23 23707.64 11187.55 339.04 1006.7 17292.91 4557.83 233.91 279.53 17662.35 5400.67 1063.53 729.88 12820.37 1490.47 468.15 17614.43 8966.32 1226.07 966.71 16186.49 11538.36 1311.41 1181.15 813.96 1509.78 7096.71 7082.55 7091.96 6749.28 6808.64 5580.2 7203.36 6768.22 6631.46 N-[3-[(2-oxo-1-naphthalenylidene)methylamino]phenyl]-2-phenylpropanamide 3204.38 908.98 3760.71 7448.08 6117.64 6054.39 6739.66 3168.31 2856.75 7625.14 7507.23 9780.45 13116.81 5452.86 2135.95 3845.95 620.31 3892.89 22281.69 1930.27 2131.12 2299.85 6869.53 5110.74 8852.8 6672.23 2113.4 6391.12 1890.2 9408 2021.5 6953.79 1247.11 2704.89 10831.47 1184.01 2116.7 14053.63 7660.29 13470.35 1465.85 6518.26 12103.5 6708.11 8573.79 10127.75 3565.74 11762.28 4009.4 15499.94 4450.83 1332.95 13406.71 7436.91 1742.76 778.39 2560.46 1313.66 2898.61 933.39 8731.91 919.15 3052.66 1689.16 2074.3 9292.98 2400.15 8845.7 6256.52 6724.03 589.29 9455.1 8551.17 4740.19 2875.11 5907.38 6983.84 5829.03 3066.45 5398.72 5953.16 6131.76 4961.32 5720.33 Ixazomib 138397.45 32051.37 1213.79 10524.46 151514.58 27800.65 23157.01 304018.53 198807.05 80476.87 69683.05 263871.66 45339.81 93723.7 85412.03 120623.78 69472.74 192563.04 81566.21 273413.35 124121.59 412.28 26788.77 26734.42 230231.94 51824.28 31665.12 138446 285440.97 232463.6 263449.52 93324.63 27738.49 7016.43 15737.18 290524.1 185205.78 584.08 48829.11 67288.68 319927.67 194744.89 27154.24 60310.32 269392.51 47797.14 456349.47 95192.71 183256.26 277509.44 87203.65 40241.7 29072.63 54581.3 123654.77 16020.83 5118.93 8768.38 101617.32 1319.32 21798.05 6623.07 30065.95 46372.11 125550.86 173751.11 100896.89 163589.16 250990.3 169205.7 138797.57 66574.07 198795.75 53943.93 73077.59 154202.33 153224 153249.06 154179.59 153215.95 154189.86 154182.68 150900.45 153177.04 L-Tyrosyl-L-Asparagine 49207.63 47550.08 26842.97 33846.74 65193.52 44781.34 41192.3 72327.61 72250.38 56644.17 62678.24 75862.79 58824.17 48413.53 69653.31 62835.43 48493.25 74167.91 75751.22 86508.16 55241.78 35431.11 43041.88 34703.03 48831.04 37381.65 28873.01 40584.91 56750.09 41473.73 52034.76 3121.95 11863.16 21784.35 30488.15 48441.05 51565.05 12801.64 41216.09 26397.68 79789.67 80660.66 52769.47 49601.37 84912.96 46913.45 84737.63 54804.2 37095.99 70516.43 47695.74 57082.51 49760.82 45342.7 48932.55 55625.09 25242.95 29839.25 66738.53 34588.01 45408.3 50102.73 47889.52 53640.04 52483.39 74293.48 78524.87 55667.02 55915.65 60042.67 58501.4 65801.77 46012.77 50772.21 50703.97 59899.56 61846.37 60891.42 60728.52 60890.21 60731.47 60674.29 60574.32 60800.98 3-p-Coumaroylquinic acid 2995.16 11609.74 6720.56 10843.7 3438.56 3824.31 5170.63 1485.13 2840.22 5782.08 8537.76 1911.87 6754.08 10763.16 5610.98 9195.99 9930.14 3964.92 14533.99 3192 1183.2 707.74 9445.75 7751.71 10735.33 6398.65 9444.64 8533.16 17934.88 6324.82 7498.97 13700.72 6432.8 5156.36 4681.35 10100.78 13978.84 3360.49 7352.76 9791.81 4256.04 5242.44 8593.23 10224.15 26260.88 4089.45 4044.9 15004.4 8508.67 2044.86 2561.42 5920.92 6514.96 11197.91 13047.47 4674.07 7683.33 9350.04 3049.97 8183.36 10411.79 9502.45 3115.07 5319.28 11521.65 3679.17 6386.97 10444.89 25562.41 1658.63 3463.76 3018.3 8672.43 6993.09 11188.52 10942.08 5927.15 8061.25 6816.17 7105.81 8951.23 9807.76 5433.4 21278.64 4270.73 4940.04 4012.88 3621.72 4312.61 4260.77 6375.29 5677.54 6520.68 5539.26 11644.52 41752.43 8891.3 9010.07 10638.19 17194.38 6155.12 6228.77 6074.86 5816.01 6227.25 5793.06 6233.61 6166.81 4791.2 Bisphenol A 41836.49 24770.35 5639.46 14368.26 41943.23 31323.83 24674.24 58322.01 54531.56 35696.5 27191.27 45014.64 24152.02 26187.76 44317.86 35498.68 24096.6 49095.06 37505.84 69866.4 42524.36 14847.38 13372.47 14542.56 37371.7 25507.28 15908.91 27397.68 45728.07 38543.87 40827.32 30590.08 26602.54 13943.21 11673.89 36996.16 41814.09 8681.66 21727.65 19270.17 62179.88 53977.87 18107.09 24011.85 54768.18 27666.75 63245.7 30168.69 34697.44 45844.93 35551.88 23354.96 16155.42 20881.05 38618.86 22537.3 8989.38 9211.41 46887.45 16639.42 17329.97 15891.04 28077.89 23460.03 32984.57 46376.44 44286.52 36217.27 38157.01 47371.05 54557.21 37868.16 43723.53 25013.71 29979.29 40928.68 41691.24 41774.27 42564.17 41519.78 41975.22 41980.15 41531.56 41986.83 Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside) 6068.01 6604.56 564.11 657.96 1353.24 3134.37 1108.42 10158.26 20307.99 765.56 3498.32 905.63 1276.05 290.77 18366.28 4156.39 1936.78 13716.11 8365.17 37972.03 5348.95 1060.78 929.39 1005.17 6215.99 5544.47 1394.42 1150.32 4915.32 2648.83 6691.37 618.28 5274.19 726.15 817.54 2985.52 7777.95 764.57 262.59 744.52 3752.33 7841.84 552.06 1487.22 8727.17 260.97 20118.51 1215.47 1742.79 5071.33 266.17 1156.73 1588.22 1485.14 4429.32 6200.25 694.63 280.91 12840.14 1113.99 1053.23 934.72 6003.2 797.56 1512.96 3977.02 13662.77 1967.09 3192.38 13207.11 15974.89 1533.12 555.04 2525.16 687.61 4966.44 4969.4 5332.23 5226.16 4759.56 5240.5 5386.42 3576.06 5236.48 Asn-Phe 2250.8 837.07 368.62 441.9 1372.96 658.75 1781.94 22005.04 6848.47 2561.29 1303.88 2636.3 563.93 1254.91 18997.19 1532.4 327.51 13455.71 7728.17 26387.72 2939.35 347.37 502.54 833.62 5718.5 2221.49 384.09 317.95 2789.65 729.74 8120.34 2191.85 1085.71 504.62 180.39 4484.54 6702.06 201.17 548.83 445.29 6312.96 4031.03 975.92 886.87 12015.1 1548.39 16396.4 3571.96 1332.07 3647.3 1520.4 1014.15 978.38 318.05 1278.85 1441.2 377.29 394.18 5000.68 607.23 870.55 689.04 864.9 951.47 1591.87 1484.33 1857.22 758.37 1375.19 9836.7 3025.91 652.62 2254.99 649.84 928.98 4867.24 4301.62 4548.48 4321.93 4591.06 4319.65 4343.88 4318.21 4216.16 1-Palmitoylglycerol 3-phosphate 69967.98 46928.69 22277.92 39751.56 28778.05 46807.37 10647.92 47746.41 42949.99 65183.04 69385.99 43009.95 16741.17 71834.42 32696.57 14158.8 35431.81 40562.95 7178.74 30412.33 25309.02 6479.77 14598.77 28821.26 30886.72 21168.18 19527.82 37390.85 21058.65 3287.98 4224.74 2919.92 8340.25 13201.78 26085.03 32666.74 36825.64 6650.05 55677.08 29626.21 1965.7 70823.72 51146.61 85369.26 55593.88 31957.49 32793 4101.7 22920.16 1511.71 57687.48 43721.59 78479.66 41747.45 67628 37078.24 27929.72 41093.57 35524.79 12901.85 62295.2 38783.75 66186.42 48396.16 54692.1 62658.78 3047.5 107842.16 46738.52 44356.23 3607.12 43951.53 53216.27 32864.87 26563.32 47910.99 45400.21 45340.7 45345.19 46261.74 45358.5 46253.94 45377.56 45956.13 Guanosine 3',5'-Cyclic Monophosphate 7166.93 2837.45 2640.71 3188.31 4155.94 4780.08 1282.07 10014.7 1014.19 25529.09 1177.48 2988.41 13151.08 13013.43 2504.95 11274.15 1200.89 12728.3 7001.83 900.77 8456.37 56975.82 4680.87 303.74 4096.32 286.91 288.2 442.56 6407.93 3311.82 902.31 1625.87 1050.61 214.75 2626.36 7613.04 8118.22 1066.42 282.39 2410.33 35793.12 7146.5 1168.22 9114.87 17876.83 1130.73 9779.5 2410.51 4951.91 18603.71 8869.45 5920.38 547.7 1057.9 5369.51 5707.26 735.23 530.56 12810.49 562.7 278.88 25176.85 1890.15 965.92 842.9 7228.31 10492.98 1817.57 10176.99 12392.67 2392.89 7374.77 237.38 1837.28 1129.33 3215.91 6297.13 4022.56 5870.46 4587.54 4921.8 2763.95 5325.73 6331.97 4803.52 3529.05 4591.67 5036.62 5100.6 4184.38 8330.41 5759.4 7054.41 4355.33 3776.85 6281.95 4097.5 7237.92 5148.3 4646.1 10546.93 10619.16 10550.14 10475.2 10486.2 10524.15 10550.17 10474.32 10160.98 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid 42738.09 38311.62 26952.15 29924.66 43192.8 36788.09 36932.52 54598.6 56651.16 39988.19 38730.71 37646.49 27173.19 31965.27 60847.98 48594.75 45483.08 62976.38 46184.18 75807.04 57445.88 35717.82 27366.93 31721.35 43984.88 43013.53 38551.58 41814.56 53173.14 57304.52 55201.45 33759.49 47658.91 31061.04 29692.47 43711.24 55160.5 35411.17 36943.26 43524.49 65315.01 52837.42 32415.53 36211.45 46661.18 39593.65 65318.77 44841.81 44010.93 44212.86 37785.17 33503.27 37907.75 35898.26 43387.35 43319.67 25282.75 29132.78 55263.47 45608.08 32075.22 29395.52 42430.74 44985.86 62885.95 45815.62 77035.84 51021.72 55010.99 60125.42 75463.88 49389.37 64495.72 44027.93 46617.4 55745.22 55069.35 55971.15 54619.86 55939.07 54622.66 60838.51 55144.98 54834.59 Pemigatinib 3361.03 2712.66 1184.09 2911.77 3583.1 3110.21 388.89 6577.86 5671.54 5911.18 5521.22 6605.36 2159.49 4006.84 6636.88 4795.47 2086.05 5850.45 9296.76 7835.85 2671.81 3719.88 1542.84 5260.23 2415.66 2633.61 630.85 2057.41 6483.09 2859.93 2167.02 6438.41 4252.41 485.6 2133.71 2132.37 3181.87 768.14 2264.93 2753.71 2348.32 5173.82 6311.87 2708.28 3900.18 4544.6 2646.01 3624.67 776.69 6777.84 1080.86 4074.73 2933.52 344.32 2471.94 3063.95 738.86 4085.34 8108.26 1801.39 4274.89 1896.56 2818.19 6543.61 7681.81 3701.56 6370.46 4802.48 6673.93 3738.71 5408.95 5507.45 10060.02 5156.46 2243.04 6856.31 6616.14 5105.49 6306.88 6874.86 7923.8 5521 6662.6 6194.24 16-HDoHE 12643.09 4080.91 2249.88 2763.35 1754.59 8072.81 11932.86 11396.22 11852.99 1773.22 1597.56 9583.82 1809.35 2435.56 5038.24 1674.2 4071.54 3440.1 2757.68 2555.45 12082.11 3041.78 5893.21 1672.77 8928.14 3411.17 1016.55 1430.44 4486.31 3428.77 5538.37 4898.37 4112.01 1983.58 2192.8 7906.38 6943.23 1305.28 754.12 392.53 8555.76 12703.1 2415.6 680.27 12820.28 4120.34 6774.68 4568.82 7395.55 4913.34 11589.05 4775.43 1408.76 1866.83 11924.08 6778.11 1090.47 376.78 8399.38 6360.61 4911.5 1252.75 7880.4 2942.68 2825.16 13996.78 8354.26 3462.53 3067.99 9899.48 7446.51 2223.29 709 3695.04 4726.26 6638.28 7006.54 7169.16 7109.87 6580.1 7051.47 7089.49 6701.19 7127.19 L-tyrosine methyl ester 4-sulfate 4022.75 5892.07 3746.25 2191.52 5458.04 2383.82 1033.36 5277.83 7184.41 1974.03 6017.04 3998.96 1928.38 4130.39 5476.38 5348.68 4403.96 7033.08 4268.7 12011.28 8778.75 7028.99 1215.62 4540.77 7277.52 6894.82 4423.69 4252.23 9329.03 6014.37 16403.25 10258.84 5661.87 4192.15 4648.27 10031.98 9850.14 6817.65 2179.7 3736.42 14522.2 5594.79 2343.62 2151.59 7818.04 4205.37 4642.87 7211.69 5621.88 6997.83 9336.54 7602.75 4246.66 4895.78 1222.7 5328.56 1499.5 1429.66 4443.6 5110.8 3206.91 1463.84 5815.28 2580.02 4318.13 3198.07 9844.93 2826.6 2430.99 4031.83 7321.21 5798.01 6819.31 3340.77 3706.21 4666.3 4657.83 4693.44 4477.35 4391.12 4574.45 4642.79 4887.28 2509.04 3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid 69730.6 26987.19 20373.14 29193.03 20880.21 5117.21 23914.94 35630.42 37598.17 47448.59 53308.13 27917.67 64794.77 39814.84 37109.51 16457.13 25478.32 18689.49 54805.29 29402.85 33595.33 9232.76 26524.32 38300.43 33875.28 16806.76 65779.91 32726.57 23721.25 7203.89 13620.68 32718.67 20696.09 40300.69 22950.83 30321.28 49892.58 6563.62 50199.79 18833.28 27332.5 47416.12 32995.03 43603.88 38382.48 42499.6 33723.64 18898.04 61844.55 37159.16 64590.73 32482.56 31235.88 27187.03 39157.04 35124.71 25696 26737.68 31553.65 9314.74 39056.71 35568.4 48791.44 21841.76 21973.45 55267.8 42911.8 56099.91 30105.5 43495 54796.8 58515.15 31083.64 23257.25 52997.79 32790.68 33724.25 32690.18 32704.44 33383.99 31998.86 33344.19 33192.01 34898.2 Dihydroartemisinin(DHA) 15364.88 17435.99 8044.01 11285.58 18262.39 81940.6 3077.89 29413.33 18967.23 21082.03 15252.58 14392.8 34662.77 15850.01 19259.03 14440.38 8746.37 13594.83 11725.79 2504.01 20067.77 16518.56 15327.32 9356.19 12873.06 12509.24 7988.21 9942.08 12880.45 516.97 5735.16 9132.9 17088.15 11117.42 6565.34 11277.6 14998.32 10301.66 23085.93 6469.93 5856.47 20075.73 25996.48 22970.99 10966.39 12031.9 14510.72 11022.54 4777.92 10781.42 17158.04 20161.67 23680.04 11510.63 39616.2 17695.32 4797.16 6976.68 26919.3 13742.48 12200.96 16449.99 17407.1 5679.39 8688.67 56566.6 10624.54 16383.85 25597.88 42168.96 16815.86 22021.74 8354.92 12188.76 17527.81 22737.43 23058.94 21847.1 20851.54 21904.67 23081.33 22992.72 23090.11 20465.26 2-Benzyl-4-chlorophenol 1493.01 650.09 8935 7275.58 6515.76 197712.82 59011.15 4316.75 526.2 446.92 1543.15 4178.53 26585.46 1393.82 3239.97 73117.62 7819.2 271.28 613 19916.43 2293.45 363.19 8683.34 12022.74 704.69 770.86 4834.97 871.26 2434.25 19050.81 8313.66 5430.58 272.75 64810.72 1944.6 1294.8 1248.05 627.56 10409.49 629 11098.88 12409.45 2244.96 1250.44 352.38 136331.95 15240.05 930.71 2314.34 13417.24 7242.34 3145.68 8164.91 23745.32 13504.03 899.54 891.6 169.67 1896.03 590.84 173.61 10093.16 2430.44 8230.2 550.28 152735.58 784.84 3436.51 925.59 1370.03 11104.86 7432.46 202.56 10995.11 24583.14 16380.94 16608.79 16174.95 16379.04 16361.4 16239.97 16176.36 16248.25 15720.13 (2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione 9325.34 11809.87 9337 15854.61 5176.53 7382.27 9233.94 3999.41 3048.8 4572.16 14069.26 16649.87 25103.04 19725.99 16929.85 10568.55 14245.2 33117.9 74429.99 71684.66 7448.38 3592.95 6277.9 11699.29 2928.18 1839.88 5117.19 6205.87 29598.19 10920.94 21305.58 39907.8 4466.78 7175.64 4785.59 17269.68 3446.87 1924.83 19540.25 6187.11 49163.15 21738.34 9706.65 15541.88 96547.2 31951.76 3726.23 21447.71 16379.89 40139.31 11449.2 10037.44 18948.59 25455.96 7455.87 10212.3 8151.98 9383.75 3250.09 5055.98 20083.41 6414.68 5471.01 7497.18 23512.22 13276.77 16353.14 11309.66 16605.17 3923.11 5919.27 8915.93 10095.94 19358.76 34268.54 21514.05 22521.16 22229.65 21480.75 22464.73 22521.27 21671.27 21680.04 22955.94 His-Ala-Phe-Lys 35290.83 22963.49 2721.91 13512.94 38658.56 34790.38 24838.04 81114.44 82273.14 35099.67 40688.86 63884.3 34018.91 23745.02 60061.66 41426.07 19278.46 53435.44 58974.03 134301.94 37166.19 10943.38 13771.71 11951.33 34561.96 25542 9482.74 14498.65 46726.85 25138.15 40724.89 28369.2 25090.45 15596.4 10272.87 28223.57 36397.51 8013.56 22040.65 12592.63 55073.18 66626.13 19144.01 12933.16 79922.46 32427 82095.77 22305.58 18557.17 48076.57 36158.68 26463.36 17147.06 26412.38 45528.73 25532.04 7390.11 9100.34 52613.28 16952.07 18323.6 21803.6 33956.9 27576.17 32759.28 60008.26 76527.38 20210.43 24460.06 62400.41 72245.75 54243.69 36492.26 27542.89 42429.1 42083.89 44824.71 44139.28 44383.75 44526.47 44281.36 46695.72 44112.02 44847.32 13,14-Dihydro-16,16-difluoroprostaglandin D2 9277.35 11802.87 9707.28 7300.71 1626.7 2532.28 3851.03 5171.26 4089.17 20921.31 3094.16 1157.51 3772.03 7447.81 8090.41 5001.15 17243.7 2551.4 5105.13 3146.13 2997.51 3159.51 973.38 1775.58 4631.82 1098.93 916.41 846.2 3767.92 2262.23 1293.22 5875.07 5910.57 1418.76 3419.1 1538.37 2521.6 554.49 5982.82 599.09 5810.2 3144.87 3396.32 4896.97 3766.5 622.97 1667.02 2327.1 1431.73 2025.98 6646.23 5319.13 2947.53 2069.01 4755.24 2202.63 3259.07 4845.35 4051.07 4457.08 4363.19 2894.81 19581.75 3356.01 3949.59 2591.4 1325.4 1972.69 2614.03 3069.87 2588.8 14207.15 7690.67 3130.01 1399.1 3988.65 5584.25 6542.36 4718.34 4918.63 5245.51 5307.99 5308.95 2718.76 4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One 16505.54 13445.24 695.77 2955.85 2672.91 41457.47 567.05 3445.88 2269.94 1672.68 6200.68 24039.13 29433.69 39856.6 25024.37 6797.6 17872.18 32681.88 11700.48 32406.83 2107.06 530.64 681.34 2331.89 1807.13 2288.32 549.46 3113.8 5742.77 11010.59 16337.95 31663.01 942.47 1684.12 4834.83 7831.54 1658.5 2315.14 2539.85 774.4 31959.74 18521.36 10207.8 14846.98 26064.71 22399.84 17366.69 3202.6 11389.8 37028.97 9412.93 41016.71 6874.73 19414.94 11944.49 25977.72 2561.88 1025.44 1893.77 61212.43 5114.95 1565.37 10968.74 1955.79 12183.68 29544.75 73020.11 13598.57 18619.03 3220.06 2665.41 2186.58 3265.05 5237.41 11040.41 19886.98 19789.63 19717.48 20800.13 19696.97 20381.77 20371.26 19677.08 20386.64 His-Glu-Phe-Glu 4499.87 4663.73 640.83 7203.19 4161.27 18464.18 13205.36 4500.29 6503.36 7848.73 4318.06 10916.89 19645.41 13809.84 9149.73 6403.79 18177.87 7843.21 28507.93 14568.03 1740.91 1009.42 1166.3 785.79 940.2 1019.69 539.99 820.09 521.79 2028.7 3155.71 7758.13 1639.08 394.73 1159.56 888.11 1255.21 603.02 1637.04 952.03 5213.63 4009.66 1720.85 653.02 2223.12 10040.12 5817.84 2870.31 3198.9 14400.98 10116.93 4690.17 1116.28 2423.7 1521.94 1271.93 1044.63 1385.25 853.31 3332.64 2533.18 1405.69 4290.35 1967.8 5004.12 6241 19448.55 4835.98 4314.75 2389.31 5293.12 5254.85 2299.96 4650.23 3801.11 71533.64 62196.74 107005.12 42034.65 88998.87 63466.9 65621.45 88736.32 64295.91 74199.31 27391.6 79841.92 101124.97 101896.56 72047.49 77637.84 58453.15 145422.72 95275.64 132722.8 77715.91 78161.96 66395.28 6412.76 6378.56 7193.6 7103.96 6679.87 6824.1 8193.08 6627.69 7451.12 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine 16078.3 18766.56 18485.13 18888.88 15686.9 15638.72 17411.41 16191.65 17515.57 26898.04 19835.39 23594.74 18631.13 18842.18 20667.8 20780.12 26762.73 18440.88 23263.06 14502.69 20248.22 15279.63 14777.78 18831.11 16974.67 14317.79 16138.81 15509.12 14908.46 14664.54 12309.47 11854.48 11120.04 14382.73 16058.72 12276.55 11168.28 12318 14445.25 11046.25 11349.02 12202.95 12831.36 13557.18 16118.24 13150.7 17868.8 15707.71 14293.22 12967.88 16163.99 13918.42 15894.35 12829.68 12211.94 12659.17 12869.41 17256.21 15754.25 13075.11 11616.01 11006.66 15574.02 12966.04 13879.28 13893.35 15233.96 16555.85 16223.13 13473.81 11103.56 13887.91 12677.8 11894.59 12858.1 37349.67 41073.98 36672.65 41214.74 34768.85 32489.95 36107.88 39810.97 37051.13 35630.76 34757.96 39763.17 39323.04 35636.79 33394.37 44383.08 31504.73 33787.13 34722.42 28988.6 26115.2 26424.12 28673.58 28566.58 25561.63 17156.71 16095.08 17534.42 17371.85 17136.99 17037.87 17167.19 17050.86 17347.68 Methyl 10-gingerol 24018.91 44762.25 52711.71 35618.62 142090.82 30880.15 32162.66 134527.08 44705.3 20825.3 27157.19 158852.18 99111.18 38393.65 81017.14 53522.07 72375.07 111793.52 165251.52 42072.75 86147.63 57389.27 91112.57 25140.25 50108.65 23913.22 7880.59 14450.99 123523.55 36277.44 21222.87 27659.46 168148.06 65926.76 33396.7 136555.75 64356.11 15011.25 27290.8 16120.86 28717.15 51802.16 54934.26 18175.36 99729.82 36561.69 66804.47 194207.32 106557.09 60914.97 132140.38 188041.68 279985.69 82887.37 178591.75 46732.5 98808.11 10874.48 151875.28 24981.25 154713.83 111754.78 115095.1 167248.14 33263.02 81035.55 19049.41 25699.14 20880.54 196017.75 49416.27 25279.17 80279.46 28656.48 42644.94 80437.26 80570.82 80811.1 80630.64 80903.59 80620.02 80506.43 79242.75 80441.6 Glu-Arg-Phe-Asp 18255.97 29203.17 6491.22 21634.72 9162.42 25049.23 1112.12 15655.64 7465.39 5045.8 4817.49 15878.33 19285.48 19621.07 29555.55 6415.43 12477.71 18868.47 18035.65 12358.14 10861.7 7945.31 3328.18 6911.76 3908.5 9065.95 1558.88 2333.97 12838.81 3060.15 13360.16 10758.1 5700.31 4762.05 6896.15 6008.38 9292.51 4094.89 5377.5 5595.81 18462.36 43330.58 7332.2 9776.72 19423.97 15008.88 7383.63 4175.38 4055.78 14843.36 20359.96 27013.65 5795.56 12820.42 28709.06 29021.52 10931.49 8181.26 11461.15 10470.19 7303.41 3340.74 18544.01 6944.19 4205.64 27780.76 40018.07 6120 10290.21 7728.61 7759.23 3511.42 3440.35 17144.91 13187.27 16947.85 16517.66 16117.99 16266.15 16617.25 15910.39 16082.64 16386.46 16133.95 Sequiterpene lactone 326 1007.02 2190.9 1230.39 19953.64 2316.5 2662.03 53619.56 1640.93 3169.44 1514.48 343.35 3686.11 87722.22 417.28 3251.95 5859.59 873.15 3519.98 374.75 5445.08 1459.27 4510.38 2809.6 1060.68 1400.75 1380.82 1740.76 321.6 749.93 4473.91 1702.9 1225.55 2197.58 17308.67 336.77 1532.73 776.28 1942.65 5115.55 726.97 472.44 7734.92 1079.75 1178.64 2072.91 172650.07 2774.58 3139.72 5135.83 6147.98 6116.64 1411.88 303.85 3872.85 4539.96 4189.57 1202.03 1220.83 2348.42 379.6 1950.69 3619.22 615.29 1092.22 571.46 2272.07 5527.53 7375.19 362.49 1719.62 2409.51 3166.4 3272.44 2811.48 5678.95 3366.94 5443.66 5018.01 5199.77 4606.7 4625.4 4941.79 4991.88 5044.81 Embelin 103966.08 52639.89 34953.84 157504.1 27350.56 43671.32 3741.16 97772.7 85250.38 101898.5 74504.25 2015.58 109451 114016.24 145801.6 100379.86 136272.32 176997.65 104939.18 121057.61 34185.1 15962.96 29827.32 26028.97 26745.58 20372.52 13603.17 18626.81 2474.53 45743.18 13038.71 45743.12 33934.73 15808.54 20454.16 29601.15 32843.29 4251.82 33430.11 18825.45 101620.6 42901.55 46529.86 137604.68 100977.71 89450.31 115223.26 53649.98 32295.69 77973.37 59132 62202.26 47236.56 42123.61 76366.35 58783.38 40541.27 44508.47 108158.69 98265.35 103281.45 83583.05 87885.71 87759.21 123661.85 89907.31 89033.08 87914.87 78718.89 132887.64 83558.43 155304.17 71614.98 113999.09 113164.91 94080.45 91740.8 94046.35 97682.15 91670.01 93972.43 93274.71 90486.35 91434.58 D-Tyrosine 2245.03 2478.61 1382.31 2155.01 1788.5 5714.5 562.72 4563.23 4234.7 1953.16 917.58 2915.18 3619.63 1655.73 1492.19 2631.82 1724.82 1955.61 3280.59 5907.47 3800.96 3303.38 2192.3 1782.43 4560.09 3059.29 1856.88 2107.08 4179.21 1137.02 3296.48 4163.5 3616.77 2467.99 1683.49 3529.58 3494.71 1835.6 1867.05 2290.33 4911.84 6016.13 3570 1577.64 2484.16 1407.12 4893.7 5128.35 2680.62 5055.41 3243.95 3215.18 2407.6 3048.83 2364.81 4158.44 1310.64 468.55 4474.57 3554.82 2215.93 2462.68 1851.54 1668.36 2897.2 1850.74 3464.9 2782.29 2223.07 4758.18 3400.28 4043.52 1777.32 2130.97 1027.39 3460.75 2853.14 3594.8 3460.99 3718.38 3565.55 3376.67 3791.92 3466.43 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate 35572.5 41758.66 42733.41 43017.47 35741.91 33433.79 39315.86 33437.06 31215.82 34740.73 32219.93 36549.57 36651.36 33774.37 31849.06 37224.75 41029.69 32496.68 38398.83 29182.76 33141.46 28863.09 29170.33 36372.22 30962.52 26430.46 30786.97 32975.76 30818.13 31206.93 27895.13 26761.28 26017.93 30515.03 31184.09 26569.01 24102.05 25406.89 28125.27 25804.04 26544.04 25481.07 22636.56 27612.84 28322.66 25631.77 27560.28 22072.32 27887.46 24528.65 25458.39 24009.05 24044.46 21014.67 22658.61 21878.16 20913.23 25724.55 22943.29 22488.59 23190.08 19246.72 25749.51 17313.22 19521.14 20411.4 21013.85 18250.89 21126.51 17461.66 18922.74 22050.36 19667.71 19996.83 19532.18 18610.21 17826.84 18836.88 18665.45 18837.01 18749.54 18845.68 18609.07 18848.64 12(13)Ep-9-KODE 1384.02 728.97 2348.42 5838.95 36383.5 48308.33 32344.08 1474.44 703.54 858.51 1511.54 2017.5 12352.03 2003.61 1541.24 9098.46 6562.71 1629.96 1135.52 760.12 1199.85 882.03 521.92 834.62 698.29 529.33 1724.25 786.31 529.9 837.97 901.4 1074.56 591.84 1144.38 4056.89 507.56 855.78 432.13 883.74 1407.51 6860.31 1656.97 1377.1 1388.92 1098.63 16566.33 1112.64 1188.17 788.56 3976.25 1136.98 881.77 1153.71 3699.44 3214.77 1270.92 6594.44 1758.88 1086.58 8328.44 2337.2 1626.52 1429.42 2420.19 1448.95 1784.86 1166.83 998.92 7606.53 1446.15 1293.45 1098.4 2530.82 4127 5405.21 19013.95 19288.67 19180.41 19065.21 18947.73 19262.1 19019.34 18703.06 19090.35 N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide 9212.55 7615.84 3958.19 1942.89 833.82 14391.08 1247.08 4623.89 10023.08 6371.57 6926.71 16076.55 10236.6 16879.67 8734.05 7739.74 5979.27 12214.71 30325 16257.87 3668 5362.86 3934.93 3807.05 3508.05 4532.13 2735.26 4266.87 3193.09 7162.19 10695.61 24868.03 3912.42 2236.68 2328.74 5272.62 1609.24 1598.54 3501.32 1548.76 18841.03 10105.14 5935.31 5884 17862.41 33626.6 7824.04 15264.65 6724.51 29083.51 3566.91 10349.67 5058.9 4865.96 1599.43 9011.92 2809.86 3471.71 6241.49 2207.65 6039.59 4748.53 6219.34 8347.66 7074.82 1539.68 22147.8 7425.12 6967.93 7634.52 7091.78 7858.51 5818.46 7381.05 2598.41 267991.4 264833.48 216587.71 226214.44 130268.14 220456.23 223740.33 235915.35 219867.2 200542.73 212940.85 214949.67 238889.96 255742.56 231145.51 232924.95 215673.09 204295.24 274542.18 302600.88 278780.32 257243.05 278582.23 237953.26 285773.39 10021.05 9959.69 9955.64 8741.76 10018.38 9915 10491.18 10277.82 10282.19 His-Gln-Val-Lys 26474.67 36761.18 48740.95 47925.15 83666.99 49805.58 100973.1 102264.03 45022.97 78541.64 47423.55 67247.06 66734.88 146254.04 55179.57 77375.37 67397.68 57308.62 70987.3 64974.76 31986.09 25777.78 1123.48 19034.57 21421.33 14207.99 12735.32 6227.13 14264.62 10481.97 39527.31 3905.86 8416.18 6114.08 19099.4 15339.91 10883.59 26088.65 10669.89 30641.71 45771.11 48288.42 37854.49 38670.34 119674.63 72172.48 100858.24 35028.41 11694.07 77407.95 43519.4 36419.17 41165.31 39236.47 34601.4 69527.22 31716.28 55093.62 54605.6 57847.88 27518.36 54904.34 58609.02 71024.91 40509.15 29564.62 81901.45 51700.56 58015.59 49005.56 58461.95 38344.83 39079.63 40638.35 57488.14 6023.66 5998.22 7316.03 5846.43 5853.43 5702.86 6844.34 5604.85 6237.92 7554.42 5752.57 5697.17 5401.56 6548.03 5578.13 6158.46 6179.61 5962.32 5943.6 6146.33 5763.71 6375.67 5270.54 5905.78 5564.1 57392.95 55936.38 56387.01 57381.38 56066.06 57274.93 57348.19 58059.17 53473.39 5-cis Carbaprostacyclin 9155.29 8746.09 331.6 727.81 9035.29 22055.3 4608.51 19615.81 8773.84 993.06 394.24 23398.87 5997.56 6847.25 27769.27 903.85 928.65 32043.94 2269.89 55169.62 22016 5340.72 3769.38 344.39 17773.07 2789.38 530.61 1219.52 2935.22 2076.47 5810.16 1691.23 39335.79 486.06 387.1 7776.64 5884.18 4761.61 3395.46 637.37 1739.19 11177.31 484.5 524.3 7423.59 4593.18 28609.01 14908.86 982.36 421.89 1364.47 3796.58 4589.04 340.77 11912.84 10390.35 577.43 560.26 41647.82 54934.33 575.73 637.4 7778.02 1795.26 1235.12 12922.9 10653.03 1601.71 1386.7 10473.2 13317.47 690.84 828.33 467.5 715.66 8441.71 8515.21 8756.09 8406 8989.17 8562.74 8457.11 8803.86 7661.9 5-[(3aR,4S,5S)-5-hydroxy-4-(4-methyl-3-oxooct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid 160665.52 302419.33 235836.67 279311.54 187779.86 63128.2 187465.38 209713.25 225306.75 298442.37 197328.12 173569.64 48940.12 226744.84 165614.09 173857.45 374775.15 150579.65 213935.32 127824.52 235753.95 241132.38 175484.7 368934.56 278366.88 138090.86 143199.27 248430.79 294220.71 390114.38 140983.92 114011 207017.55 202062.53 247657.73 182480.05 230024.05 115194.09 266906.9 236197.03 177857.99 124126.39 192136.53 346536.41 163062.96 148299.9 177673.87 210770.81 195192.49 125158.27 183035.82 248030.2 242401.2 196940.57 147998.24 141942.96 187331.45 286929.53 383210.54 6275.93 355783.83 225953.01 261036.71 185342.37 277347.63 41688.87 147767.93 228586.24 207185.24 186242.45 219980.49 284729.68 191166.9 203086.27 107420.55 12794.04 13513.13 10515.33 9171.91 17913.35 19346.39 16811.28 10042.01 21689.2 9203.1 12541.56 16701.53 13335.38 14482.01 13309.73 19053.73 16553.41 19706.21 25925.86 28363.96 17264.25 20994.14 16069.31 22852.56 13115.7 179676.74 174647.37 179136.01 181241.57 183681.43 178377.86 178431.43 178549.11 186946.6 2-[2-[(2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methyl-1,6-nonadiyn-1-yl]-2(1H)-pentalenylidene]ethoxy]acetic Acid 317833.22 551882.95 195704.24 687661.8 692874.65 438762.51 429590.76 505865.86 586976.7 194308.06 330475.29 884496.43 1295568.37 649689.48 962305.69 1096665.05 559493.16 1579830.44 1388446.93 1860316.13 328787.13 111778.72 83807.2 325162.7 260020.57 172609.44 84725.95 134660.77 495282.25 402543.37 678208.29 890708.24 105660.01 82339.37 173588.68 297429.37 190205.56 16446.41 84415.73 153803.55 1567196.68 642867.87 358911.19 463615.91 1327123.58 426179.85 906582.7 482153.42 151475.07 2984767.27 100212.17 409458 330105.32 566934.42 666629.27 658092.72 194344.05 358022.35 391927.38 329589.08 311138.48 102135.47 560269.59 411776.82 512869.11 801066.67 1624843.57 392186.5 658949.06 577394.52 331483.86 414882.54 327309.75 896501.41 531891.94 617123.68 611446.96 603933.23 603992.66 611400.78 603982.24 612875.35 560337.11 603903.12 Sappanone A dimethyl ether 44388.55 23254 5571.62 8918.2 47738.59 33933.25 25201.38 57809.66 55570.6 35478.34 23323.99 43843.99 23184.94 22788.39 46107.89 44287.29 26144.11 50212.84 46159.46 72813.1 45426.35 14557.07 11069.28 17836.66 44460.69 27519.95 16570.98 28472.59 64705.15 60565.44 56043.4 31804.17 29200.36 10187.91 10379.78 61467.22 40060.88 7312.52 22613.81 16540.78 68807.14 74087.87 15737.01 19505.04 60147.44 29550.71 72408.89 34547.72 38042.77 53119.08 37844.14 22240.77 13441.22 20516.05 45837.93 26030.97 5479.93 7440.6 58489.97 12835.01 14440.07 13406.29 29572.56 25012.62 35952.39 54413.98 42021.56 37710.98 39631.33 52067.57 55999.29 37461.76 45451.21 19947.24 27504.61 45813.69 46425.23 47278.8 45966.94 45832.07 46348.96 47774.01 45815 45836.22 7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan 66011.32 80933.21 37228.75 19111.11 59666.86 116000.56 12858.48 51246.87 53852.98 28800.26 22593.97 47042.5 744.66 7766.23 141540.67 50783.86 63519.64 110834.69 147017.9 318070.56 28050.71 81139.61 16664.82 8982.37 27889.89 34353.71 17265.24 24192.07 76024.46 3233.9 25592.21 12293.6 99996.3 36785.28 24256.87 8490.16 40620.86 12476.56 8933.68 30707.6 55054.76 35591.54 21250.24 16577.39 58516.96 16915.37 183559.68 80726.22 22754.66 66795.68 33887.73 42467.84 19250.5 24339.22 56752.34 53440.49 23369.88 32964.67 102058.97 87223.07 17406.24 21310.36 70809.67 51446.63 148623.89 36387.42 89731.05 25289.17 38854.18 74495.65 146963.29 19693.74 47484.45 80913.46 29491.13 66806.02 67146.3 66821.69 66706.71 66703.25 67152.23 67146.58 64399.03 67152.64 Ciglitazone 3847 1694.62 1629.71 1683.16 5230.66 1605.78 4024.22 11801.91 6911.83 1721.14 1778.34 1660.12 1778.8 923.31 1622.45 1041.13 1888.3 1465.04 2919.38 1261.25 6061.19 2210.55 1411.4 1067.12 6408.59 3901.5 1945.37 1131.56 7073.52 1006.95 398.25 4806.98 2750.17 936.61 1385.33 3296.86 5050.11 1252.43 433.13 2869.56 2065.95 362.66 942.37 1616.3 3427.57 1629.29 368.95 600.37 432.73 2739.12 3862.87 1470.22 2140.34 680.76 7864.63 2004.85 846.48 1295.32 4261.74 1953.7 476.2 1110.68 5803.59 2804.92 2674.05 6578.3 687.27 1232.25 1286.25 10197.28 12904.31 3491.82 2881.91 2279.46 1048.33 2981.32 2548.29 2746.76 2947.92 3182.63 3061.76 2748.69 3056.54 2580.87 RCS-4 3-Methoxy isomer 31033.96 23360.79 11997.82 53765.49 163957.87 77549.01 76531.81 39878.18 43420.79 32699.98 33177.2 60407.94 102466.66 24696.96 40505.99 90142.03 29761.33 43231.11 50667.91 39682.57 41194.85 30469.39 21394.56 15498 31620.54 24255.06 20503 13158.52 45393.66 42686.59 24216.59 66513.92 25835.81 27325.98 21994.35 24484.16 28288.7 8000.19 19981.72 12532.15 42537.64 55384.64 23117.07 23893.67 54592.33 94657.25 31547.57 24984.32 51206.24 73595.08 48174.36 29772.22 28914.59 60237.94 63397.25 30231.63 9580.25 11107.26 56893.38 64259.08 25315.09 36708.7 45297.97 32623.93 25957.95 70799.46 38289.6 30984.32 23906.41 36264.34 27679.45 39843.84 29259.32 35071.93 64445.94 47763.48 47759.51 47338.71 47358.68 47353.63 47459.76 48636.72 47339.75 47388.58 3,7-Dihydroxy-12-oxocholanoic acid 10874.04 15939.59 8446.29 4857 250009.58 180903.33 374910.66 40566.15 40098.77 18383.83 16625.32 26939.26 9732.63 9654.27 46269.14 12685.5 10925.19 16681.94 30912.65 9445.79 38513.99 17939.92 18249.08 8957.39 42407.45 19675.2 14082.03 7266.87 55878.16 9185.85 2126.16 49140.31 53101.9 8671.16 7837.37 41399.62 25216.38 4153.92 12160.39 18038.06 82720.69 36736 16160.55 11242.19 30235.71 16042.04 27246.69 35973.89 34179.27 14967.88 32993.74 25997.99 9392.84 7312.08 48763.15 39944.73 6631.46 3974.95 55496.33 18528.53 12712.28 37224.15 61974.54 14727.32 13095.51 83257.23 34139.19 39748.58 8963.57 87518.93 32770.74 50577.89 12109.23 6434.43 8815.38 39660.82 39792.62 39358.18 40013.15 39790.78 39660.23 39354.35 37585.59 40055.8 Dihydroconiferyl alcohol 574613.44 390500.29 599813.37 1162346.92 808706.26 1039449.19 1481317.39 888401.45 722419.45 1081911.52 1980984.21 2024313.8 1709948.66 1160846.97 773265.23 2003328.42 1072548.54 732357.77 2097590.94 899712.61 468153.11 354822.03 849805.82 788863.06 412959.18 293012.09 607316.33 956479.2 496450.57 530916.57 308326.61 1459477.93 242728.38 714410 675104.57 383826.72 410827.29 100640.66 1105751.59 498865.06 715478.8 1013248.81 1295780.77 1047956.99 872148.92 1222511.43 683991.5 1101385.32 704582.56 1913876.86 570448.01 525570.99 1107486.88 1326920.05 578795.69 439827.24 394917.4 730134.77 675524.85 389509.65 973148.61 1016123.72 520153.97 1223660.65 1363992.75 807583.62 806804.14 1214757.13 1222172.54 697239.2 507883.69 1400173.93 1192072.23 1584961.46 1492671.84 4241.09 1030.22 700.1 1014.4 621.43 684.02 6541.72 573.32 908.41 4083.9 3411.82 4247.09 5205.55 1113379.59 1113199.32 1113263.3 1109756.37 1112519.28 1113203.56 1110955.7 1081682.26 1105154.29 Tyr-His-Phe-Lys 5112.14 7250.92 10350.98 548.44 2659.24 4042.9 1783.66 723.38 7345.82 11960.77 19000.75 21771.38 6829.39 15493.83 13060.4 10746.73 5475.85 8674.8 25738.4 7260.55 8421.55 5748.13 12662.52 11398.11 4702.73 2661.57 1550.69 13282.69 6494.52 9856.79 7184.32 11584.15 2849.58 8468.7 8524.55 3033.9 3859.78 625.69 15064.24 6168.22 4858.18 6065.54 19143.34 14263.56 13453.09 5564.24 9448.7 19060.15 13139.58 19072.64 3828.47 1381.66 13679.21 5327.77 6324.65 6671 6116.62 11085.15 9000.71 516.62 15435.86 14600.82 5565.14 18953.07 11020.52 9865.13 3922.1 15894.2 15554.79 6682.19 3231.56 18356 20605.91 17671.82 11254.17 10302.17 9825.08 10320.58 9842.15 10180.92 10363.82 9329.58 9677.32 10433.05 NSC 23766 trihydrochloride 1574.18 920.35 2178.09 12839.55 31086.06 55120.91 76139.5 7836.1 633.44 2293.85 3003.78 1634.18 6855.81 2601.61 10494.97 3604.25 4501.27 16183.15 12701.14 251.05 1812.16 933.21 2291.17 1227.57 2935.2 812.37 733.63 817.34 2506.03 612.92 879.94 5577.67 6333.26 779.64 420.98 6416.36 4554.86 309.63 1253.53 1042.33 5578.66 1493 3603.3 3399.06 3935.34 964.29 3312.69 1527.56 1993.77 2418.8 644.46 2018.01 1945.79 4533.43 5828.94 6873.71 1362.24 1724.86 10002.59 4485.29 3667.82 708.69 4149.77 1840.75 5793.38 1129.85 3504.74 3454.62 3008.33 6193.84 818.85 4290.12 7864.36 1985.55 403.38 10681.13 10469.43 9706.52 10582.85 10765.87 10472.12 10782.19 10521.92 10795.39 Dihydrocelastryl diacetate 8889.29 13676.52 37690.81 67522.59 21050.26 24600.31 37211.96 21016.42 13770.42 14417.31 17296.71 24207.39 50009.69 17583.24 11986.25 41476.31 21568.69 11283.07 66260.33 31721.13 10473.73 9262.33 10651.92 12323.42 5521.6 6407.81 5152.39 7422.54 10339.85 12272.96 6766.75 13487.63 5698.05 40495.07 13465.02 5524.4 5955.8 3558.81 9434.15 6359.24 7478.45 12609.64 16683.9 17927.03 17168.32 25390.97 19239.16 11921.36 10357.52 60833.45 6389.99 8119.25 12970.4 16816.96 8976.43 10526.99 13992.93 27875.58 15160.02 41232.56 17123.02 15485.41 12642.09 26148.9 24402.09 12246.85 34365.59 16964.86 19771.26 15548.51 13572.09 26702.66 17079.88 65593.23 37108.09 20572.87 21497 20681.79 20876.52 20874.71 20267.03 20866.15 20766.18 20734.14 Benzyl 4-hydroxybenzoate 91237.15 96973.6 76237.33 148760.35 102480.62 71939.07 84803.41 144448.71 54502.52 122059.93 47662.77 51720.59 133513.57 57240.78 174058.45 124541.25 168009.52 60810.89 141471.18 75154.14 67103 36187 41579.07 84515.79 56885.41 38889.1 50171.31 57321.31 39449.57 107014.52 69575.46 81299.06 97208.37 56637.52 64607.39 59160.78 42239.15 20684.02 86524.57 65583.3 120407.66 88021.41 56336.7 131742.47 147410.89 138114.11 141108.7 107256.35 32446 54752.11 95348.01 135639.14 87958.12 33409.62 103066.34 126817.29 131402.03 47087.49 61942.06 197085.58 124955.28 159609.26 48814.28 152693.99 67210.6 131899.6 61147.69 159792.69 71089.87 172752.05 116866.45 120740.23 123229.47 107750.82 74554.86 83883.83 87501.54 85650.32 83586.91 91587.31 91109.78 92963.49 87490.23 89258.56 1,5-Diphenylcarbazide 57534.99 30959.36 51426.52 117789.34 89816.62 108717.89 176656.66 102364.77 86168.37 121977.14 254877.04 269958.66 197021.07 131337.48 68637.43 31590.47 3578.6 65525.31 253803.11 104143.66 40047.91 13113.45 80190.09 71743.55 31111.94 17650.08 1687.48 97414.21 35868.79 51902.49 526.6 189909.36 15285.23 58079.47 53384.58 24904.56 18132.04 2841.93 109465.78 34027.18 68341.37 100856.99 147620.02 105214.2 89235.29 132233.12 73498.77 107480.25 65085.59 266395.03 51459.43 42894.2 118802.16 151404.69 52842.14 28609.33 25175.67 62145.98 72797.93 29878.64 10982.29 101546.72 46927.92 146247.86 176966.68 82714.09 96699.2 137137.94 147188.26 78284.82 51050.2 142855.41 134199.67 188532.47 163256.4 124326.85 124384.37 123502.79 123870.24 124342.56 124560.17 125990.77 120864.04 123476.17 Methanone, (1-pentyl-1H-indol-3-yl)(4-propyl-1-naphthalenyl)- 98.98 1319.08 5165.54 8089.7 97822.67 150032.17 102375.25 302.4 123.83 555.34 100.92 832.93 7110.25 127.08 53.34 3301.26 77.59 57.28 154.52 176 53.62 14550.28 44.86 684.28 480.38 149.28 526.28 728.25 989.28 81.54 353.88 378.83 1036.89 919.84 42.41 38.4 449.29 213.14 37.71 436.9 23157.42 345.64 62.78 930.14 1169.38 11978.76 64.59 1003.53 681.62 141.55 325.98 53.09 789.54 359.52 1175.2 1115.65 2034.83 2062.36 59.73 2651.22 1288.43 1093.81 1363.56 78.91 44.17 125.1 40.54 640.73 278.93 642.74 48.69 477.34 706.98 1864.86 2119.61 8846.8 9030.91 8921.25 8851.32 8851.58 9016.5 8954.71 8635.87 8936.53 Sapanisertib 1665.11 1369.88 4188.59 2087.48 1367.81 52810.88 12764.17 6699.43 4007.64 801.27 2112.88 15457.65 4147.99 2305.76 373.15 2963.81 8855.31 2574.67 6332.72 4933.22 1206.52 62457.92 10319.82 1916.31 2582.93 2168.09 3037.61 601.35 846.28 562.33 3218.83 1009.11 2195.82 57542.12 3995.45 1369.97 1454.15 15173.12 4691.22 1849.89 941.41 2011.13 1375.25 1735.72 2762.8 1683.6 2501.9 2708.15 804.24 3078.57 8444.98 3547.79 979.36 5812.35 1235.79 5261.43 558.95 4997.68 941.93 11754.46 378.26 843.86 770.49 5781.63 1136.67 1676.98 4637 2912.92 1970.9 1021.89 916.65 1141.69 1223.71 2696.53 4566.27 3916.78 3614.19 3250.86 3598.28 3923.13 3457.62 4030.21 4076.52 3874.49 Benserazide 3690.58 5209.6 922.82 2992.27 364.04 2428.79 373.12 276.82 2143.02 777.15 1187.17 3474.7 6445.43 7242.93 10125.41 1820.17 1150.87 15689.26 5141.75 6324.82 1723.16 649.04 409.41 416.45 907.97 245.7 504.53 552.51 3170.49 1400.46 5671.1 1405.93 2129.82 1248.79 353.67 2018.95 1083.51 628.7 593.5 555.25 7117.89 5319.74 1465.43 1967.81 10573.97 5273.93 7842.46 859.31 2171.1 12224.6 3397.05 6415.07 1643.88 3115.26 4470.81 6956.92 648.13 1044.95 414.97 650.11 622.23 326.52 3604.17 1122.31 2821.63 5727.21 13073.98 1665.81 2434.62 1977.78 2100.18 926.6 868.71 4389.62 1611.69 4465.95 4331.56 4422.43 4399.61 4138.66 4359.74 4331.1 4424.63 4426.71 14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 9429.6 8559.76 9430.55 15996.08 10821.65 17565.51 16817.5 12930.95 14691.44 11605.91 22986.3 23398.17 25741.19 18630.16 16608.33 20569.17 18777.64 10478 21336.1 5637.3 5784.8 9201.26 9976.36 9494.88 6531.38 10153.82 5752.6 13193.42 8690.12 7719.86 8418.39 14510.24 6265.89 12330.21 10125.34 6434.33 8397.07 2601.32 11918.94 8517.46 7938.63 10287.58 18487.49 14208.16 14982.31 11706.61 14694.21 10239.35 13007.3 21993.84 6388.56 11102.8 16682.82 17983.22 9379.77 12727.82 9973.85 9746.07 6677.54 8213.93 13399.78 15184.41 13198.95 22084.27 12117.12 10515.37 14341.05 12954.75 22722.21 9850.52 12553.71 14106.15 16552.06 12696.51 16009.93 12974.3 12417.11 6280.05 12037.14 13443.69 11198.24 12706.27 12020.65 12766.07 Nafamostat 350.75 11152.14 3729.75 10354.85 794.7 2238.39 716.42 554.08 1020.54 2645.42 1066.59 3073.42 3553.66 1263.44 1937.77 2913.23 3085.49 1427.61 5645.17 1300.24 685.86 260.55 1071.81 1120.88 945.16 941.19 774.72 1177.92 1442.78 1008.87 1070.02 4837.57 583.55 782.5 1615.67 1657.27 1513.02 503.5 2341.97 794.38 902.6 1422.89 3027.61 1573.58 15596.81 2347.24 2671.1 2015.79 2958.2 10685.06 264.91 4984.07 5724.68 3631.18 1102.61 5688.86 2817.91 5324.28 283.57 1278.57 1607.21 2212.14 1461.8 4873.7 4991.83 907.85 2908.73 1430.1 881.61 683.07 728.55 2829.32 1602.55 9297.09 3419.71 4173.38 4208.54 3143.66 3928.82 4138.69 3830.68 4489.41 4176.78 3790 2',4',6'-Trihydroxydihydrochalcone 19283.64 7908.03 2987.74 3786.1 18075.97 11222.45 2998.51 19631.23 14060.87 7757.85 5834.45 14293.43 3857.22 6893.83 20554.84 18490.27 11952.02 3906.32 8126.11 39364.54 15011.47 4215.46 5839.51 3826.3 15409.38 13265.22 3005.2 7485.31 21651.29 9450.57 14568.23 17742.99 9303.5 3205.33 4465.96 11405.06 17223.48 4706.45 7129.74 3917.64 19465.58 21401.89 7842.53 7007.55 24740.25 7932.87 21974.8 9432.2 10052.95 9549.16 13490.74 9561.42 3308.25 2752.57 19022.51 8438.37 9363.64 4362.56 20031.77 3674.53 4376.7 3411.86 12226.1 10775.03 12728.6 20282.99 15488.41 6982.86 3237.47 25354.64 27883.6 9925.3 14224.35 10136.29 7335.78 15143.99 15088.32 14475.65 14465.84 16196.44 14427.04 14461.7 14659.73 13608.99 2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid 5205.05 600.06 4536.54 7343.59 232712.66 40807.54 40506.65 942.3 251.66 1706.78 964.02 648.79 7099.74 2312.77 2075.76 4300.25 1073.34 1467.63 1188.23 290.01 1006.46 4776.74 1477.18 647.74 943.66 1838.73 769.2 489.89 397.92 121.48 760.92 2128.44 2869.29 1048.95 181.01 5570.7 243.51 456.13 1900.52 4973.64 21373.75 3320.07 710.94 2505.14 634.58 4517.36 986.41 657.97 302.95 221.99 2270.09 836.41 1309.57 227.42 2824.24 1075.32 798.77 133.9 926.06 2818.41 1806.99 5719.1 6029.02 244.36 204.67 1809.68 10293.56 1572.73 3488.06 1170.38 7722.61 4495.33 822.86 377.3 2802.86 7291.77 7141.46 7318.41 6852.38 7247.77 6906.92 7208.24 6908.96 6867.99 Benazeprilat 8886.38 6388.52 2030.51 2940.02 4085.15 4299.15 1795.8 5298.37 9352.72 6510.5 6897.25 4216.27 3152.23 3185.08 14528.21 5821.83 6435.19 13281.14 16205 11673.03 10065.5 2894.19 1102.22 6034.31 11443.04 6511.18 7835.13 3633.81 8946.37 6030.94 3297.55 6390.61 13502.19 2405.54 4672.63 8897.12 11738.71 4481.05 2314.37 6842.98 18161.05 11821.46 3964.42 3257.82 15040.31 3703.72 22236.26 5433.96 2166.23 12446.94 5163.47 5668.03 4505.91 1760.08 7811.32 10245.19 1006.45 5062.14 17712.11 4100.69 6042.29 355.47 5591.74 9552.87 5262.06 5222.67 12765.88 5829.52 2486.94 9842.15 8439.02 6886.68 5730.84 5785.97 4970.54 8376.75 8545.8 8355.84 8359.36 8430.11 8613.89 8362.56 8362.93 8554.85 Gln-Leu-Thr-Asp 5161.17 4876.31 1938.47 1500.02 8950.33 12908.13 9638.24 9833.02 18018.51 8135.46 4625.76 13992.27 10056.37 7128.7 10653.47 8025.84 5193.14 15936.52 15704.92 43304.76 7233.69 3399.88 3024.19 3306.09 5298.6 2662.29 2001.34 2946.32 8241.36 3383.12 6226.9 12389.6 6541.45 2051.74 2081.84 5288.06 9835.66 2376.23 2574.2 1378.19 18864.9 12813.9 4698.42 3855.99 28019.26 11387.85 17628.77 4068.7 3928.96 8350.64 7262.55 6717.97 4204.22 3762.75 4726.66 5341.43 779.63 2271.35 9304.76 8926.06 3858.15 2842.82 2611.01 8129.44 529.13 14029.05 19421.94 5767.99 1931.08 9866.07 15204.85 6841.33 1968.33 3928.7 6667.05 8316.37 5232.87 8753.11 8368.62 9100.04 8778.27 8364.07 8769.01 8813.72 Clofoctol 10945.48 12976.53 3263.18 27996.98 4746.63 4295.2 27945.03 5043.66 4843.79 14182.36 4192.82 4236.12 1857.77 11008.25 3961.11 3142.57 19257.62 20228.13 4609.19 1060.48 3332.71 2732.68 3486.4 6971.1 4028.12 1721.64 874.25 931.94 4174.94 2871.58 2188.08 3664.9 1453.33 1360.57 4937.68 3279.34 4662.44 1169.97 2988.92 2815.57 10716.42 2241.98 4153.83 8596.25 2049.1 538.74 1113.69 2210.36 1994.48 4755.69 4227.27 2495.01 2371.31 2252.56 7310.73 6156.53 3474.92 9288.39 6717.94 5883.56 7319.84 2386.19 17119.77 5221.87 5000.3 2021.97 1145.03 3873.31 4603.91 4478.68 4348.47 19356.81 8109.07 3646.97 3820.97 4167.29 3996.73 3864.34 3850.17 3863.63 3938.78 4055.32 4012.89 3470.74 N-Methylisoleucine 179012.77 164043.86 74016.08 179618.82 55990.42 150606.87 123185.29 133849.83 143120.5 202472.67 199537.29 170018.86 128252.21 204702.65 154658.85 127328.76 155556.98 206015.05 88242.2 165985.04 84820.83 149760.26 73834.9 100572.87 77166.68 127930.47 100134.97 145666.69 66327.77 204406.73 111589.13 105683.2 86149.61 95474.66 108757.34 72237.26 129073.89 75021.36 199805.93 153584.64 169667.04 105737.67 139314.21 293990.24 172655.13 178510.66 122107.4 115618.84 67815.38 128278.33 132484.3 150146.88 141365.93 122858.6 96843.23 159125.76 125481.19 189516.65 178489.76 291873.98 196571.58 255587.45 124695.73 134186.11 184044.05 154912.41 246592.29 212870.28 243556.55 132244.87 204526.27 191014.79 192647.68 156551.02 175009.91 182834.9 177129.4 183850.74 178397.76 183737.49 186997.63 195973.45 189723.68 191235.05 193852.59 179225.04 195553.94 193174.42 204253.82 190739.22 185026.75 200193.1 196451.38 197513.69 189803.03 190810.64 188424.68 201583.68 212684.47 183633.85 144358.72 148195.1 147177.34 149127.17 148187.18 147364.56 147352.58 147169.83 147356.92 Tyr-Glu-Val-Lys 48838.97 16699.65 13779.16 49617.64 8531.25 10647.59 11357.02 13008.13 12993.51 17491.63 13058.16 10556.49 11338.39 38064.84 46765.9 12155.36 49982.45 14716.17 38364.76 12497.17 11366.67 13409.36 15812.64 20204.32 19298.94 16562.92 13653.89 16564.08 46135.42 20260.56 16550.72 13719.5 15508.16 13816.61 15492.88 15398.48 16307.82 8465.49 21618.11 16612.56 3283.3 11345.74 5314.59 3939.37 1989.62 5094.83 3284.99 3502.37 1960.12 4062.97 3045.07 5643.84 5496.03 7013.63 3928.59 3877.91 5767.14 8150.44 7086.68 5974.2 7158.98 8622.6 8091.38 7543.24 7623.81 8477.3 8222.98 8116.76 12029.3 7964.32 5120.68 13368.32 7022.58 4483.68 4206.38 19561.09 11176.57 9069.61 8928.1 9266.86 10328.2 9191.76 7771.98 9232.09 7703.02 8099.01 7719.88 7272.43 6923.26 6667.19 17668.15 10388.34 7042.01 8920.29 8178.36 7601.23 7517.29 22251.63 7506.02 5897.71 5533.97 5447.92 5501.48 5370.66 5545.47 5821.74 5451.59 5443.53 5546.25 Tetrahydrogambogic acid 2560.1 2615.15 2317.59 2550.09 1932.3 2433.43 660.95 3061.24 3143.79 4306.65 3899.62 2728.65 2521.48 1485.08 1947.86 3161.17 2271.9 4858.39 5187.93 2356.52 2315.71 2327.63 2666.67 3558.48 3363.94 1437.48 2748.18 924.17 1470.65 2848.68 615.39 513.86 799.68 2181.43 1773.89 2372.6 3104.83 1495.51 3370.44 4679.76 2486.14 2017.61 7034.57 2192.69 3687.6 2958.3 2861.22 5262.41 2824.99 710.55 2390.05 1156.04 2913.26 2463.47 3020.58 1890.46 1408.33 4620.55 2052.15 852.9 2912.68 3658.96 3762.41 6273.66 7055.13 3603.77 1514.6 1395.57 3024.79 2719.19 1311.54 3756.83 3588.74 7412.6 3193.27 7727.94 5180.04 3947.38 1202.14 2336.26 5275.03 7691.66 7290.4 2375.74 4254.21 5896.23 5970.07 6753.6 986.19 6200.34 938.8 6530.35 9239.28 1522.15 5802.19 5646.79 3846.24 4709.94 4220.14 2868.27 2872.36 2874.64 2931.79 2961.08 2927.01 2930.22 2867.59 2746.47 Linifanib 3171.61 1049.15 1139.19 784.81 1156.19 1154.43 2070.96 9090.73 5055.85 32828.33 2203.06 10219.95 3044.67 1413.41 701.49 945.6 2655.17 2732.72 813.02 566.61 5448.08 1032.28 1348.52 1363.71 5268.13 515.31 559.81 1019.08 13958.57 3611.99 19159.08 5222.88 2215.91 1162.29 431.69 3643.44 8727.66 437.72 9051.71 5732.22 1780.11 1679.44 1831.66 427.17 15328.78 515.09 5755.37 2670.09 1115.82 2276.88 1815.67 745.75 2265.53 2067.42 4215.42 1584.18 832.64 581.84 4750.69 1736.2 1819.57 2660.36 471.18 3255.69 3173.55 2068.37 8251.21 3570.78 1220.85 2470.61 6781.39 21170.83 5044.62 1675.37 1029.64 4325.57 4077.17 4186.92 5047.95 4099.91 4082.06 4046.31 4244.67 4375.06 JWH 018 6-hydroxyindole metabolite 39740.09 12158.54 6365.89 8740.74 17926.77 14551.02 9338.53 33793.22 39608.47 4493.54 4093.88 98533.15 68011.3 23201.47 25631.42 18450.71 804.79 11419.57 26216.82 747.53 28903.5 588.04 6899.21 413.12 32464.72 13238.55 4164.4 6484.85 63425.99 38881.76 42332.57 9135.03 763.16 919.86 1218.13 13135.94 27281.96 673.55 10086.45 42326.23 58709.5 67081.64 9370.64 940.57 20011.13 12022.92 3444.48 8291.17 851.22 16381.76 32663.44 20097.69 4095.75 970.56 26071.21 14126.35 6703.84 5460.13 26601.46 11131.43 2856.99 9168.54 4676.79 10347.21 357.72 43677.35 39550.73 11260.42 1374.76 33865.11 24410.27 30640.88 13147.4 1044.36 9099.96 2693.58 787.03 4361.9 1662.42 814.2 6504.58 6147.84 2320.03 3143.29 5139.98 14059.62 1711.0 6248.47 2503.48 10558.79 4829.97 6492.89 7354.05 3955.43 1840.13 5633.38 5772.28 6389.43 3595.26 21667.63 23488.01 22080.29 21683.33 21714.98 21701.09 22007.26 21046.05 22093.03 Coumarin Suberoylanilide Hydroxamic Acid 3784.23 30555.04 14106.13 25164.84 7567.73 25307.86 8748.32 4084.24 4054.34 5657.55 2787.34 984.06 2474.64 17084.97 4208.94 1148.09 7960.67 8966.97 10324.19 11264.6 3796.08 10927.63 5996.68 3625.95 3086.26 4088.15 2253.69 400.69 7217.78 1466.74 6220.82 11887.27 935.14 1018.23 706.85 2916.66 3262.28 2858.67 413.27 2729.13 6494.69 5574.07 8404.7 973.87 7717.3 5156.56 10328.97 8585.94 2782.2 21873.85 3930.24 17351.99 557.66 1750.02 902.44 34999.62 7947.46 14470.92 4568.48 11593.7 939.84 12105.06 5499.95 22727.15 27503.37 6653.09 9414.66 1866.66 1695.41 5321.62 6882.67 11174.85 7773.88 48599.24 10850.86 9954.44 10098.39 9104.17 9835.68 10098.45 9937.28 9826.33 10103.7 10031.42 1,1-Bis(4-hydroxyphenyl)ethane 50307.83 16376.83 380.46 5515.92 32569.17 17085.39 9391.47 60950.66 64704.51 12645.85 12831.12 27757.43 8399.35 14637.02 57987.54 37484.53 19327.03 48721.73 27105.47 89432.1 40160.16 8794.18 7108.65 9297.92 28033.07 15408.55 4774.64 8607.42 48651.89 25806.23 28093.02 22241.6 18008.73 6555.34 5486.85 31099.54 37921.32 4952.62 3908.54 9583.36 52770.34 47154.44 9516.19 16503.23 39112.91 11124.53 100933.58 21188.84 36269.75 58829.98 16115.11 13306.69 7440.51 12701.02 30937.51 19293.97 2237.74 2909.56 36324.19 9720.95 6655.16 11510.4 23242.8 16522.43 33467.46 40100.47 37663.18 22043.78 37312.58 53352.31 52668.84 17422.37 41388.4 21272.5 19980.03 32990.93 33182.05 32955.82 33014.94 33197.21 32948.09 33242.06 32746.59 33166.05 (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide 21894.31 10876.68 9944.41 2497.92 22539.74 15982.3 999.79 31435.97 29943.34 30531.09 20926.17 37863.91 22694.61 21023.63 29602.62 27925.65 8046.99 57210.16 52813.39 27219.12 27731.29 16451.79 19717.83 10539.66 24137.77 16536.71 21191.43 14140.19 30756.91 37048.05 15535.76 53209.82 13340.25 17123.37 8233.48 18140.09 26006.69 5015.46 13575.25 6781.74 17661.53 38721.48 17985.9 17906.61 39059.68 17398.13 22448.08 17397.07 41044.61 37080.32 44104.47 20659.46 19921.09 12221.27 30504.78 17971.28 5939.48 10006.26 43278.13 11351.41 18406.21 16731.37 27396.55 23777.46 18497.05 33545.03 17230.45 19297.93 18544.31 27388.68 17384.74 34518.64 24739.73 17963.46 16245.71 25634.79 26504.84 26077.21 26628.83 25665.05 25842.32 26017.78 25663.27 25492.25 12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE 4247.3 12802.36 10209.37 12544.32 3447.46 1967.54 7065.32 1083.32 9039.86 3436.65 12230.53 9069.54 24125.12 10420.88 10324.92 13936.43 18264.56 140482.32 14115.88 8570.38 4770.85 4571.88 8735.52 7788.92 6512.38 3474.53 13917.28 5117.84 8571.16 4848.1 6053.75 11457.8 11904.57 11525 6752.47 3285.7 2313.75 5595.53 6739.35 10240.92 1880.58 5558.33 23899.24 13823.87 1923.35 9359.99 7663.39 10331.23 6590.59 3840.17 1932.3 1541.56 13916.49 12577.98 1432.69 13965.15 8579.7 10738.57 6622.48 6182.43 9646.79 6799.58 7894.36 12687.81 23482.8 2696.6 7920.95 7399.73 15065.32 2865.28 6150.2 10046.91 14728.74 7769.13 8590.4 8885.71 7368.86 9329.39 7266.39 10841.7 8879.03 9149.86 8310.59 7931.7 3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid 4686.2 7905.57 10959.88 17904.67 5323.09 2273.06 12117.72 7016.01 3688.74 9084.75 18369.16 11647.7 8567.33 15560.22 7968.15 24614.51 16323.43 5658.3 17934.5 2557.71 3778.55 3047.33 12241.53 6096.5 5823.16 3997.97 7814.61 10412.04 5622.8 2930.49 1482.33 10207.14 3397.61 11177.27 10204.94 4411.77 5843.5 2079.01 18301.67 4066.9 1296.78 7484.87 17760.8 14430.86 5679.7 8286.04 6384.21 15859.22 7382.46 14828.14 4219.25 3511.5 17315.36 17443.83 5682.36 8706.59 5759.26 7038.42 6456.24 5380.55 22749.04 13069.27 3816.16 18024.46 8178.36 6441.48 2742.68 23854.44 9600.8 6107.64 5593.73 18756.5 18198.57 19934.25 18705.63 10799.98 7721.16 11277 10747.73 10306.31 10733.08 12868.69 11148.42 11823.36 Desmethylastemizole 7325.73 2813.66 351.6 894.77 4269.28 4215.44 2244.21 3526.39 547.78 10022.24 7495.43 2736.93 10258.51 7330.68 12197.1 4124.28 22127.61 9506.87 17447.97 941.55 5402.45 3380.99 3442.66 1195.12 4436.31 2626.16 4533.27 2300.28 13850.65 3037.93 5798.6 10220.29 6815.48 2121.66 705.39 6409.71 6118.86 2018 1116.47 1335.8 2705.47 3009.2 7776.93 5103.04 2310.73 21488.19 2196.67 6058.6 52127.86 23529.85 4649.24 2814.89 5959.23 6242.61 6945.73 7753.2 13117.07 1801.41 13248.31 745.96 2664.45 1673.08 8171.44 4530.62 5438.95 7530.06 5636.38 16089.63 4403.16 4569.26 1432.47 10158.18 3093.59 1489.49 5188.04 7833.85 8415 8884.16 8883.73 8472.79 8424.23 9479.55 8888.79 8857.94 N-(5-Adamant-1-yl methoxy)pentyl deoxynojirimycin 6833.77 5995.42 2583.92 8958.05 10912.2 15839.21 6627.25 3546.4 6348.08 14962.78 1720.59 8343.94 7317.81 22493.21 13996.96 5176.76 11671.47 8510.06 24283.79 13128.42 1551.68 3663.88 1496.64 1036.89 1665.24 1823.86 1030.25 1650.88 1189.73 1888.22 7659.2 6738.22 1083.67 2764.72 3655.69 1840.8 1211.42 2805.47 3105.22 959.21 1272.03 11354.45 5151.48 2905.47 2555.41 11123.21 4763.67 5336.95 3576.18 3508.98 7553.95 8966.9 3661.9 6023.61 2135.02 2633.09 3969.44 2402.24 2080.84 1172.86 3366.26 2799.33 5288.11 2318.6 3692.17 9489.95 8507.64 4721.44 3661.99 929.99 5331.56 7654.94 4323.54 3654.04 6356.8 2807.22 5822.96 5578.2 5638.31 5979.13 5968.49 6399.07 5975.02 5795.43 Thyrotropin releasing hormone 6205.52 6200.38 5130.61 6344.81 3612.38 8191.83 9907.06 10331.98 7237.79 6077.81 9773.94 5871.52 5426.19 7163.22 3500.38 9643.78 1513.04 1858.74 5269.25 13311.75 5346.73 1936.66 16621.87 5236.72 6724.78 3735.23 3651.25 6093.81 6497.76 6640.43 3558.72 11327.64 3274.19 6400.35 4860.8 4492.53 3335.25 2092.73 6500.45 4170.15 9095.06 7430.02 8361.77 20908.87 7180.67 8508.1 4665.73 9996.96 6604.86 14155.32 2566.89 6411.62 8938.75 8533.95 4562.2 7146.97 4597.57 5642.59 4972.78 7251.65 4094.15 4978.89 6292.98 9007.21 8253.91 10840.35 9613.65 5460 24136.68 5517.9 5742.38 8455.7 25050 10500.12 2510.77 7847.47 7860.04 8092.16 7433.98 7675.06 7676.96 7864.26 7860.42 7850.17 2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid 10454.32 2017.86 930.5 2916.12 5982.08 5130.22 1229.09 4455.41 1959.23 2326.79 4616.74 5176.55 3707.77 3578.42 7521.59 6689.84 516.19 8935.37 7094.13 7229.1 3877.83 1534.96 918.28 3433.24 3492.16 2305.59 1591.05 2586.35 3168.43 1571.09 5441.54 4433.07 887.96 1831.68 2609.35 2914.33 18950.35 2569.29 2194.34 2601.62 1617.49 18743.45 5526.01 2620.05 2849.35 1080.38 22519.9 14631.33 3761.85 22387.63 5876.87 3484.42 774.35 7821.13 9901 2587.32 2152.54 642.87 10299.5 15117.43 5099.02 2412.68 6796.96 5980.99 9867.02 10626.1 1781.1 3786.51 2184.12 3268.61 4424.66 905.13 5081.17 1689.78 6728.75 5335.87 5370.21 5304.36 5399.63 3573.72 5354.88 5328.97 5208.88 4910.85 JWH 122 2-methylnaphthyl isomer 263.12 91.66 70.58 3499.9 18850.98 33709.23 22296.71 131.7 487.28 481.67 71.19 247.45 2781.2 118.04 101.75 2045.55 752.85 188.69 725.54 469.73 100.63 105.15 92.76 173.95 80.39 301.05 48.65 327.43 158.85 117.74 50.49 453.39 264.82 88.57 48.95 238.71 342.87 66.02 152.49 54.95 5390.17 772.04 62.5 170.54 171.82 2474.07 606.94 50.4 53.42 160.84 237.91 194.3 165.48 249.45 1011.93 339.81 70.27 75.47 342.36 1340.98 51.92 397.55 395.07 117.53 66.87 289.81 438.25 308.19 356.16 124.27 517.58 162.18 396.93 173.16 616.62 2783.56 2779.21 2707.49 2781.11 2701.84 2780.08 2269.61 2783.63 2676.06 PS(16:0/20:4(5Z,8Z,11Z,14Z)) 3587.91 1072.28 4869.77 5474.27 525.08 4899.25 6775.93 9036.19 7913.77 9870.17 12605 10306.89 7776.96 9120.53 7955.01 10252.07 10414.09 12538.16 11410.37 10217.12 14159.34 11061.6 7859.53 8482.61 8562.48 6715.78 6843.81 6581.69 7296.7 6452.34 5302.21 6869.76 3610.71 6120.33 7531.99 5156.47 4852.08 4743.12 5970.95 5068.27 1272.3 700.5 1213.11 6380.44 5908.84 6131.09 8548.88 7012.71 7363.83 938.66 9133.61 7635.77 6167.46 5242.08 7678.42 6541.26 5791.85 8103.11 6264.59 11703.53 11666.7 5876.62 10321.6 7873.44 7160.26 10867.77 13901.77 12854.69 12035.67 13066.08 13279.79 11571.47 8444.85 5618.59 7737.58 11971.92 12226.81 13273.34 12360.75 12406.73 12453.48 12174.79 11802.95 11440.98 Pyrazolopyridine analog 3894.86 3231.02 5380.76 4678.42 19222.31 26771.38 6460.79 19738.28 10783.72 10503.66 16795.36 24921.71 11708.52 7765.24 21885.38 26784.03 14143.27 13264.33 16996.09 36401.88 7803.49 6092.63 4303.97 6048.13 4022.97 5733.84 3791.08 4925.34 18043.41 7065.55 13302.32 17053.88 6051.88 10128.75 4354.01 11357.79 6689.77 1626.78 10760.43 6649.03 9903.56 13351.46 7623.01 5442.09 11827.91 6255.51 11218.49 3597.09 7461.12 15901.74 10595.11 7501.6 10831.26 7176.21 5167.09 3962.12 2610.57 6059.09 15758.23 15276.53 16105.45 9758.19 5603.69 4833.45 14298.99 7462.44 7929.04 14017.43 15483.94 9318.04 14240.04 10043.84 10841.04 11062.51 19967.97 14254.48 15291.44 13482.65 14358.24 13517.18 14374.12 14414.38 14443.25 13603.02 Pantoprazole sulfide 1453.15 1323.09 1266.53 21587.36 23167.43 7258.53 10736.09 744.79 333.02 190.31 1120.5 1508.89 10762.62 1682.59 457.1 8718.8 2137.76 3902.35 291.24 767.3 2247.26 1222.09 895.11 1170.62 590.26 676.39 1178.06 317.29 5871.86 374.07 795.45 1416.25 315.28 1320.98 2260.82 1184.29 1072.77 1010.49 826.1 836.14 6890.86 4580.78 1192.45 1787.16 410.83 16723.63 482.84 2821.85 6646.72 8492.14 2953.36 1306.8 1222.21 4894.61 4975.48 1231.75 1345.74 1018.12 3855.34 1245.54 1894.47 1222.09 1057.98 252.12 1312.34 5004.44 1848.16 7861.66 190.31 1582.89 1518.61 871.55 1564.15 4309.45 6906.52 3159.61 4138.35 4135.78 4115.05 4125.09 4118.1 4115.06 3958.09 4090.76 6-Hydroxybuspirone 175.69 1071.49 4620.53 21744.8 123804.91 163468.44 102973.51 2905 725.84 164.84 69.38 482.13 2331.65 1261.03 95.92 7349.21 639.63 890.07 89.37 222.2 55.87 12350.33 1145.44 681.13 264.78 189.86 711.83 807.36 398.15 37.62 347.91 234.31 957.27 64.71 40.02 36.33 561.65 136.46 100.47 643.1 49364.66 1508.76 803.03 47.04 1099.82 9393.06 49.04 1362 655.81 211.82 535.18 2049.45 573.83 594.17 2972.18 47.61 1789.31 1775.65 67.69 5516.2 1332.82 2619.65 50.94 2806.38 1139.61 692.04 931.48 80.41 37 52.18 38.64 185.72 137.24 170.59 2727.84 9947.42 8533.29 9814.15 9835.34 10017.74 10117.02 9865.82 9804.55 10025.53 kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside 40311.93 15322.67 2662.77 1637.26 36922.32 15551.34 6290.45 90096.25 95413.75 19412.93 13389.44 38035.21 2863.58 10313.51 48494.43 24096.72 9696.91 52802.39 21254.08 154627.07 39036.82 6422.56 582.71 453.1 25171.86 14518.87 4496.59 7496.69 35758.66 22364.11 20531.56 13243.22 2291.65 2314.55 538 30615.5 35452.98 389.27 4679.18 2462.01 47308.54 33065.41 2152.6 8319.31 52139.28 5460.08 120364.59 4288.46 14811.5 41703.48 13312.37 2993.09 1775.02 4635.3 23763.01 8960.38 3799.15 807.89 44419.82 530.48 4754.68 1533.87 20602.1 7091.17 19440.16 35769.53 39445.96 20496.28 36997.57 57216.4 87713.04 14920.54 59734.63 11542.86 13773.88 33805.3 33865.92 34981.41 37652.88 32539.49 34711.69 34261.78 34418.92 34135.88 His-Phe-Asp 5426.45 334.77 789.08 1237.56 5186.88 280.02 393.54 12338.46 14564.57 1194.5 3598.6 11102.09 2501.11 5412.04 6777.7 1516.59 378.73 6137.17 1509.41 298.79 8591.68 542.38 1188.4 270.15 8447.22 2218.23 2315.48 3826.23 8352.55 6317.82 19035.31 4943.11 957.5 1806.75 1195.17 6248.1 21474.76 1094.7 3456.82 2061.62 27256.05 23772.62 2244.15 2394.65 1823.93 284.98 639.5 4128.59 4664.53 2018.35 13071.75 7799.2 2448.31 2825.16 17237.25 604.12 889.37 676.46 10149.73 1304.92 1793.24 1435.54 1299.74 2672.5 2435.2 15470.71 10651.82 4555.11 871.37 18584.38 7792.85 1341.76 5182.34 1860.68 2419.35 7012.56 7106.74 6998.57 7003.27 7092.46 6858.08 7124.96 7121.74 7190.64 N-Acetylaminooctanoic acid 2352.64 10013.39 3136.87 24069.91 32646.11 16852.92 20816.38 3797.17 4279.29 666.08 4028.57 22731.35 141061.91 5065.23 24009.3 5518.86 4520.99 12660.33 37203.22 1116.3 764.31 2232.68 3730.94 2550.26 4748.76 7661.18 2039.37 4188.36 13795.15 6128.1 254.34 3583.69 5648.7 6338.58 2973.25 4750.89 1340.92 433.28 6637.48 5712.99 3814.31 2344.3 3844.85 5449.8 3199.56 24305.69 7223.62 8556.91 5532.32 11538.88 2582.29 2934.96 13041.97 23691.88 4401.82 3178.93 8787.11 3873.09 3512.78 6188.22 6448.86 8109.39 2135.02 6948.11 7582.73 7864.04 3668.01 20256.23 4310.17 2231.05 3371.95 2995.7 9478.9 37181.76 24788.88 14655.31 33440.63 14248.3 14140.76 14661.03 15112.05 15194.1 14784.21 14657.02 14056.3 15436.42 14879.91 14728.78 14324.7 16320.07 13530.46 14126.23 14782.81 14483.05 14671.71 14355.5 13218.58 14524.93 14651.85 15046.36 12265.9 12544.47 12267.04 12396.36 12337.49 12267.11 12392.57 11645.59 12285.14 Phenylbutyrylglutamine 26698.49 36029.06 7814.56 17078.77 3935.15 22538.41 6979.18 7923.41 5014.49 2298.8 6454.24 22142.2 47116.58 58174.56 39770.45 20836.37 19033.89 84711.1 36180.82 31096.56 2931.49 1454.88 7851.99 8591.38 2311.82 3331.68 1238.08 7888.45 23612.58 15864.18 44761.26 48144.27 6137.71 6554.35 7421.14 12912.66 950.42 4579.81 6316.48 9539.01 65842.9 42627.37 15131.55 14868.89 109145.37 30716.62 43960.38 19142.19 17587.2 88946.49 23760.41 37916.89 19308.13 30301.18 24957.87 34266.09 10119.96 13068.53 9348.31 6092.48 11149.95 7569.35 25004.36 19654.98 26926.25 42075.83 69747.81 5569.27 17553.96 18832.2 12154.67 13820.4 12699.78 32300.28 16196.64 37266.13 35296.84 35771.52 34783.55 35437.56 35758.33 34713.48 33274.59 34720.1 Capivasertib 5898.89 6563.5 1729.07 2078.47 5009.07 1729.08 2055.68 5966.81 9706.56 1679.72 6691.53 3149.87 3316.51 2841.4 9263.85 1159.2 2964.43 9865.12 1348.96 6099.93 8037.86 7578.57 448.19 1846.83 8031.11 6594.87 1349.81 1401.73 6030.02 2623.86 6695.02 2435.48 4140.43 1492.25 1517.49 5154.8 11513.75 1672.47 2434.08 1585.21 1339.32 6635.88 3304.34 1175.2 14130.75 1209.64 13145.46 1164.9 446.89 6449.23 909.49 7747.56 589.53 2103.71 5144.78 6378.01 1991.25 5179.04 9754.16 1475.77 7947.62 1779.93 9586.55 3626.55 9523.21 8902.12 10760.61 852.5 3675.64 11436.73 5867.3 4445.36 4027.95 3433.12 2907.37 2415.06 18182.52 33259.2 26167.27 7532.36 72294.63 73191.2 21914.3 28487.72 60705.58 113374.29 7891.89 38579.44 9896.26 82988.63 26660.22 20733.28 57404.07 93804.11 73796.51 5099.64 5291.37 4294.51 3890.63 4742.31 5934.14 5617.16 4622.36 4353.54 6-Isopropoxy-9-oxoxanthene-2-carboxylic acid 18426.42 9716.11 2275.34 4540.09 2521.86 3275.96 3075.24 2363.58 18513.88 11212.79 3827.63 1511.18 2368.08 3734.2 15953.17 7245.89 5661.35 10365.63 11427.58 25825.71 13465.45 3197.11 908.16 1474.38 3009.61 8931.59 3196.81 4583.73 13079.4 4227.94 3870.87 8306.69 10955.13 2856.64 4144.18 2541.34 4592.3 3152.9 2450.29 3681.43 5151.39 11295.83 1821.54 2308.71 4197.84 4630.93 15348.85 11099.5 9361 11589.79 11011.29 3544.05 3893.02 5453.81 9672.9 6121.33 3807.21 3839.47 13674.3 3972.34 1981.76 5504.43 5359.33 3067.04 15392 6195.33 4074.83 13355.31 10116.35 13501.48 21075.22 4136.37 10004.42 4724.22 4103.99 8253.65 8144.42 8251.28 8284.63 7975.68 7773.86 8232.05 8073.54 7870.09 Wortmannin from Penicillium funiculosum 11637.87 5031.23 8836.26 15038.25 9481.99 7263.63 21331.27 10529.81 6717.55 4675.73 5364.55 26395.75 7993.05 8741.45 11751.6 6078.08 5245.76 8701.21 2540.36 8215.09 11503.77 10965.72 6135.89 9532.05 16975.98 2266.12 3655.73 552.61 10838.19 3145.85 2901.77 1813.99 1279.34 1387.51 2509.88 12143.89 19272.5 2332.06 10053.92 7944.33 2346.54 11384.75 5473.52 6387.31 6349.32 8743.75 8690.87 14019.26 929.11 4385.51 6952.16 16663.39 5567.98 5253.03 15606.81 15314.45 10307.82 8361.59 6431.23 4355.82 8549.93 30852.14 7592.58 11919.94 4588.59 16626.97 8282.7 14706.89 24566.49 23617.94 6902.77 11201.23 3288.9 6451.83 25171.26 566810.85 473717.71 261335.06 583522.84 374671.64 256983.97 136493.05 552350.59 246114.71 219083.06 103277.25 121991.14 404469.7 549803.88 290669.75 377988.92 199108.27 442753.11 634799.74 415825.14 552180.06 394640.55 271089.1 8225.03 8356.66 8272.81 8495.18 7810.97 4902.53 8746.7 7670.93 7866.06 ANTIMYCIN A(A1 shown) 9513.77 7950.26 18918.83 9244.29 10267.54 54188.53 1753.71 2326.71 711.5 9246.85 2063.85 1320.7 26665.25 9283.23 44603.54 5579.97 15223.43 20021.37 10519.12 7214.33 1427.92 12045.72 6590.47 2572.2 1520.79 4000.17 3531.88 523.7 9820.93 389.48 461.43 10013.54 798.24 935.67 3866.21 742.59 3569.13 4284.17 3020.07 2791.43 4177.36 5112.76 6354.26 2133.3 3285.59 7565.95 2491.87 2706.15 1321.67 7841.77 1023.47 32462.91 13953.76 9745.33 17523.17 37495.11 23839.45 17894.79 5066.32 14992.02 10154.84 11372.68 46365.27 8449.12 5290.8 8420.91 7613.58 1943.52 2970.86 4228.48 1939.59 2436.27 4665.76 19604.7 8253.54 12601.03 12452.15 12553.68 13069.4 12710.25 11842.25 12273.48 11904.79 10817.5 Tyr-Ile-Val-Glu 3177.47 6664.1 5068.52 7473.9 6995.85 16166.71 6155.02 11195.1 4057.38 9262.99 6792.53 2726.88 11095.37 1670.28 7780.73 7630.12 9516.88 3977.43 11388.93 9918.03 9942.6 12230.37 9170.91 2154.92 4984.57 3342.34 1278.55 2362.65 5636.95 1858.71 2995.61 3125.55 11332.87 4921.48 7967.21 4435.99 3877.61 1445.02 4542.1 475.55 6862.28 4163.86 10586.51 10028.22 8940 1663.74 2459.24 7758.81 1099.94 6833.64 1822.77 15142.61 4729.23 6879.15 6217.41 16299.51 4161.52 5046.44 7538.14 13758.4 6148.43 3503.78 6405.56 5404.89 8082.95 1690.75 8424.33 3190.19 4465.99 3639.05 8033.61 17369.63 4536.82 2869.58 10773.92 7923.23 8437.03 4103.12 7329.77 7431.75 7890.14 7645.86 7923.49 7857 18-carboxy dinor Leukotriene B4 12665.72 27108.11 9931.42 26161.43 2524.36 6473.6 22818.63 4118.56 3444.53 16088.31 23626.23 10672.56 27902.17 34253.81 10638.76 14643.28 26165.66 10601.33 12976.59 3457.25 11054.26 30432.21 52618.52 31078.35 14635.38 9214.98 7812.71 23087.9 11239.73 3100.55 2749.46 22813.18 8512.93 30455.59 32532.99 26447.44 12411.09 13504.2 27114.78 22655.92 39133.63 10300.23 33917.52 32912.03 11669.58 29624.41 6765.47 22789.93 17464.67 12439.17 20303.75 32176.16 32945.36 31222.72 11705.2 20447.75 19078.79 22270.08 3355.56 17239.87 32106.4 37484.15 16667.27 13268.27 14727.26 11197.41 7870.95 17313.48 4851.19 4386.11 2165.78 12788.13 6546.64 15628.51 22940.84 12764.47 10179.31 10433.75 9867.79 10137.82 9766.79 11308.06 10829.87 10186.47 Sodium 5-(diphenylphosphinoyl)pentanoate 29377.69 5465.05 8442.76 12947.83 33380.99 14765.38 70338.01 1368.13 42096.41 34946.84 91494.71 35506.83 17572.47 36889.17 32612.43 76293.77 47614.2 21024.59 40495.56 13348.7 53562.83 2436.23 15460.72 66834.12 35960.64 48252.86 44771.88 62622.84 25551.55 22121.99 31805.31 63641.73 31391 40693.72 60393.77 20424.5 56278.66 9751.54 57072.09 37191.56 18602.65 46608.26 61522.43 51114.22 22876.55 38102.61 35440.15 76237.15 31394.34 77239.33 39785.89 37449.38 62766.65 65234.06 31008.21 20889.42 25359.29 13881.97 44626.59 11879.5 53956.6 1091.35 30978.6 24791.11 30927.85 28318.05 65882.19 44135.37 66835.49 38203.16 34424.52 2047.83 90109.11 19852.57 67720.22 40102.27 39759.53 29356.14 40764.02 39769.18 41273.25 39853.65 40897.81 41281.67 Pyrithyldione 17996.05 6746.88 3204.19 10678.96 10439.84 1863.9 1407.89 12785.12 14235.44 9319.39 11866.8 23728.71 32169.71 20782.92 15997.98 14073.32 10076.26 51697.94 26998.41 44760.88 9133.15 6760.83 6641.27 5562.65 8329.05 8847.85 4160.53 7255.15 20369.49 6872.54 22310.68 29515.19 8009.57 6162.52 5782.04 17109.5 9499.51 897.29 17086.03 2870.02 36987.37 15985.18 8552.76 13495.76 45424.32 19097.82 24705.4 17321.45 14125.91 25586.82 11670.81 14366.11 10174.77 11834.14 11916.87 11156.58 7009.54 1193.79 12171.59 1060.61 8237.67 1235.76 10392.93 7316.72 8079.34 18150.34 14245.42 12861.13 20277.56 12408.25 19085.19 6965.43 17451.1 1935.89 18278.76 12437.87 12582.88 12470.96 12438.95 12523.04 12440.72 12608.29 12355.63 12532.71 15(S)-HETE-biotin 8706.25 11177.45 8091.39 14639.83 21667.45 18208.58 18304.11 18244.01 5099.85 11067.39 14766.58 14779.53 31219.46 14479.31 18032.96 15484.22 12266.37 12827.04 13323.01 18659.65 4671.87 9858.07 13821.38 11350.79 7270.23 5168.06 6237.71 7167.57 15107.29 722.44 6526.71 11346.17 7988.08 10046.84 8610.95 9730.72 8948.67 3262.72 15823.59 4963.99 9074.25 11350.06 15432.65 9541.07 15181.93 14541.46 9263.12 15159.56 7884.4 19641.62 10662.72 11710.58 13523.25 17568.97 12095.61 17668.06 2141.56 4314.6 14355.69 2113.91 18999.93 28021.18 10226.57 18245.17 9798.45 15487.46 4970.92 9211.48 12324.87 12221.15 8888.59 14817.04 13410.71 7137.13 13168.55 13574.64 15510.41 15507.99 15575.31 15892.1 15874.75 15908.12 15491.61 15952.15 Diacetyldideisovaleryl-rhodomyrtoxin 25769.65 42839.52 5516.38 13638.98 11892.38 2347.28 13034.16 65380.73 120336.56 44748.25 36704.43 9277.36 1396.73 12677.95 118720.4 46086.21 41988.84 26761.67 37080.88 22824.71 11428.19 10259.3 4120.11 5561.17 15753.02 41341.59 23346.32 5157.8 4651.74 1410.44 2728.14 5646.63 4304.54 3092.3 5803.76 5312.37 46605.45 4468.19 9918.04 27337.16 15707.58 36086.94 9130.06 22397.14 13009.3 20327.45 21903.33 1758.37 6180.34 38569.16 19594.46 18897.18 7026.27 28817.08 71081.09 50599.41 20408.68 10661.07 16426.56 15994.68 8270.61 4639.94 72590.09 60328.57 42363.68 60553.65 91168.52 37436.7 78234.16 48854.9 75792.24 71603.32 41670.99 47911.28 54408.06 5285.61 9772.89 6162.28 7829.35 4974.85 4607.92 7909.65 7552.96 5094.24 2961.62 2904.94 5148.7 4247.7 3546.6 2253.16 5614.16 5715.4 5802.25 10487.62 1637.52 9367.95 3785.99 6478.5 3512.5 5847.55 31355.24 31368.01 31397 31330.46 25054.25 33616.13 29953.13 30394.98 30573.19 Tyr-Val-Lys-Lys 18047.27 10085.63 4325.65 8737.01 9060.62 6614.3 1520.92 3969.35 3690.13 3353.74 9210.02 11919.62 14243.89 14293.99 12606.84 7425.28 7510.44 7613.99 5515.8 7163.84 6639.93 3613.92 4351.56 5179.43 5274.83 4812.24 6512.59 4620.9 15769.79 12046.36 6130.28 4281.63 5003.85 8823.42 1946.31 6076.94 7816.5 1559.89 6838.98 2752.04 11589.35 11151.42 10197.99 6317.29 18828.41 12193.84 8088.27 5258.09 4350.94 8450.87 21668.86 11693.7 8784.24 11653.97 9336.84 5464.41 4001.82 1813.48 8126.23 3099.55 8091.76 10407.81 10533.67 7206.67 6080.23 8173.48 5718.86 3841.59 3838.83 19543.64 5900.06 7906.42 12387.9 8017.1 8900.15 8100.26 8029.72 7931.63 7141.25 6180.8 8171.99 7588.21 7597.94 7542.38 Glu-Phe-Thr-Asp 5629.14 3464.41 1586.7 8320.81 4754.7 8650.82 12675.37 5417.2 7264.89 7992.65 5035.11 14004.04 18920.44 34835.31 10519.64 5781.76 16690.57 11806.55 27290.1 10172.49 2005.07 1182.07 571.79 924.91 860.06 1271.33 728.84 750.39 4098.03 348.19 4848.13 10196.62 1735.11 722.36 2300.22 1016.44 1315.14 559.51 456.5 733.38 377.3 4664.1 2323.99 1143.03 6133.53 8610.19 4813.04 3168.26 3790.85 14434.59 9475.95 6341.19 2156.75 3547.25 3171.61 2167.4 4496.96 1997.59 1041.53 2529.61 3441.01 2257.6 5678.77 4293.41 5621.97 6835.48 22160.48 4585.36 6014.68 2498.71 8161.67 6662.53 2944.49 5769.89 4012.43 6252.1 5923.16 6888.36 7935.47 6359.52 6233.85 7012.23 5535.56 6643.17 Acetamiprid 89690.22 29454.24 2690.68 11401.11 63189.79 24824.21 22933.62 107337.26 107395.8 61750.28 29060.09 83939.22 33516.94 37255.47 72955.43 53311.01 33952.83 79804.13 102709.33 110885.96 71548.34 12835.4 12524.75 12881.35 80103.15 24752.68 18665.97 48121.28 82305.46 69920.62 90436.27 47983.52 43280.49 19655.37 9869.64 76266.29 62929.02 7326.98 27104.7 22857.46 120009.29 108361.7 16916.11 23600.76 103911.21 37994.4 136854.07 40766.1 76281.23 98437.74 56145.85 29235.72 17083.23 23452.07 71444.73 28264.95 4572.86 4993.81 77460.76 9987.55 15398.9 15268.44 29454.55 25076.73 51384.08 83062 62448.05 66203.73 71856.66 91806.09 101642.39 56589.57 70164.18 24957.65 35774.2 9586.33 10319.43 9424.96 9380.72 9212.53 8436.56 8548.75 8295.31 8716.04 8546.06 8971.16 8350.23 8802.56 7900.12 8104.18 7878.61 8976.4 8774.78 8777.55 10070.12 9212.71 9901.73 10611.96 9883.89 8936.39 69205.94 69220.04 69629.44 69714.87 69542.41 69754.04 69149.82 68765.41 69580.09 13(S)-HODE-biotin 15519 7492.67 1475.88 2414.04 6498.07 6219 8676.53 36681.45 24728.93 25459.36 6165.63 6604.86 5123.03 11207.09 40571.63 2663.99 2178.76 86054.56 63929 33075.09 19207.21 15835.22 2624.45 3613.22 20948.23 16218.9 775.54 1917.47 23836.19 13578.68 17147.89 57964.87 24245.7 1592.32 1697.68 24670.77 31376.55 1884.87 1528.95 767.36 3234.35 26054.65 12911.84 3035.19 50541.1 5183.53 26382.8 19721.17 21046.17 30198.5 14636.79 17695.91 4060.34 918.04 21767.71 15589 1111.76 3374.47 47569.64 760.73 2748.24 2384.78 21384.07 17802.92 18213.99 13750.04 8422.93 5192.01 5059.49 32999.27 17872.65 25007 19266.31 2910.76 2426.97 6273.37 8237.29 4759.34 5034.4 4513.51 3848.99 5969.76 4174.17 4141.14 3317.59 4015.27 5131.89 5330.32 2962.64 4566.52 3885.57 4458.13 4652.22 4364.09 4450.33 7970.98 3560.51 5001.23 6486.89 5621.73 22633.01 21731.63 23052.52 23047.43 22387.51 22750.49 22884.65 23051.08 25087.81 Trp-Cys 3321.23 5312.45 1977.02 6057.09 9179.61 14619.36 2016.56 8582.51 5699.73 4857.62 5963.9 14708.46 14750.92 8845.77 10078.21 7364.35 5738.99 38618.18 21626.34 49701.89 3475.35 3188.89 2015.38 2048.49 1003.82 3389.27 1320.48 1908.43 11954.51 3935.55 15717.18 17029.18 2539.04 2474.18 1193.28 7839.04 4445.69 654.99 1503.5 1294.55 34945.45 10931.01 2747.62 3535.09 40550.4 16049.65 21803.97 10301.42 3982.13 16233.18 2025.49 4769.55 2904.01 5025.27 6705.37 7066.45 1703.93 2433.87 5003.51 6115.02 2809.05 2583.3 4350.65 4784.13 5361.59 9554.17 10770.6 2512.65 3985.07 6483.14 7664.96 1541.66 3243.84 7758.12 1818.47 14974.41 15986.91 17392.79 14881.7 14757.75 15379.95 15203.88 14744.51 14685.3 2,4-Dihydroxybenzophenone 9519.89 10087.01 8177.47 13792.17 10025.04 12285.47 13233.8 13054.63 13701.27 3073.98 13743.85 14223.63 13221.32 13280.89 13273.51 16262.51 8988.4 9192.67 16301.45 9204.54 7868.69 2877.38 3048.37 3282.54 6808.75 7141.62 5416.84 3278.83 1467.15 10941.72 3079.77 6576.94 8147.91 6078.87 2802.59 7125.35 10214.65 3451.25 9903.82 6318.46 12145.48 5730.11 10576.44 15119.26 14759.73 13418.3 8740.66 10555.1 5988.48 6818.55 8558.14 9659.11 8723.72 3152.49 13816.03 12390.05 8989.22 8757.52 14512.38 15287.45 15610.19 2763.66 3970.98 3271.09 13936.4 7371.4 5771.88 12474.03 10861.85 14816.45 12981.19 15255.22 6367.17 16591.87 14915.63 14509.15 14083.56 15416.83 14001.07 14420.31 14447.29 14563.8 13943.2 14364.27 15045.46 22001.09 14748.66 14490.25 14771.18 13943.89 25625.87 14656.96 14490.98 14555.24 15078.37 15537.67 15080.21 14532.8 15425.92 14435.34 14076.73 14480.58 14117.86 14818.93 14082.16 14469.95 13951.53 14310.82 14402.44 11-(Dansylamino)undecanoic acid 1871.97 3019.89 6178.01 3559.81 736.67 2096.26 722.26 2215.12 2981.18 2340.14 1768.2 2807.4 584.66 303.42 1836.76 1608.27 1564.36 2215.72 2199.31 2507.73 2359.9 7378.37 1581.39 1117.46 1447.45 663.31 1068.16 1373.39 2269.6 1373.36 2116.56 1810.87 2204.39 8828.43 594.07 1937.19 1169.75 6747.8 1613.05 919.69 2321.48 1955.09 2377.61 1296.26 3216.66 507.07 3743.51 3791.64 1574.57 1964.16 1539.94 3859 2087 1376.76 1285.72 2730.75 7241.44 4755.43 2347.96 4024.6 1934.8 3555.56 1240.99 2031.91 1927.99 1051.13 2253.37 2168.2 645.05 2169.83 2302.7 2303.06 1477 1761.6 677.4 3632.86 3936.13 3801.69 3793.26 3950.38 3943.24 3649.61 3935.4 3940.76 Glu-Asp-Lys-Glu 112165.14 87664.35 15737.58 43048.56 105818.54 125575.88 94230.28 154285.92 134993.24 104590.17 93411.12 131255.76 100927.6 103500.86 117729.97 109484.89 67749.29 142966.64 135928.05 146948.14 87088.82 40254.73 41161.13 41357.39 85746.03 80923 36522.09 70562.37 118835.29 39602.55 93325.35 105452.37 57647.84 35718.11 32020.76 108881.22 89551.66 15148.59 72978.36 40957.22 139065.64 182427.12 60596.81 82730.45 161867.77 112026.32 186462.79 98599.78 92348.32 173339.43 109363.77 92210.4 54141.36 84056.02 103335.79 91907.27 20608.28 31419.07 116565.73 46903.19 52954.76 50885.11 88647.1 57415.98 75789.48 134385.57 98141.21 93725.85 95957.62 115288.4 129394.96 120390.51 103082.09 83023.71 89929.22 129571.33 129273.37 129301.32 129280.6 130384.75 130256.21 130269.77 127834.07 130291.54 Dihydrogambogic acid 5858.12 9916.23 9798.7 9271.96 17120.27 4223.1 11126.76 7386.61 9541.46 15856.68 11409.35 20287.97 22120.64 19229.34 7000.19 19229.82 12752.77 26563.33 21553.23 7175.22 10001.78 10820.46 10413.07 10463.46 14797.88 10645.25 13326.02 8289.47 4084.34 4383.58 2423.67 21737.46 10968.27 11228.54 10553.25 4179.18 10300.76 5378.78 8623.56 8022.78 1792.9 12491.21 11028.59 10412.28 11723.45 12663.16 3571.02 7398.68 14699.81 22663.45 16154.27 15808.59 18329.16 16044.57 28143.43 14182.06 9152.5 12361.05 9979.37 11422.52 16336.58 22377.25 23251.47 18226.48 11189.62 20825.82 2451.1 16894.23 11397.62 11199.27 948.68 14959.46 8222.34 11949.57 12308.13 11318.86 11777.2 8038.95 11313.33 11833.23 11853.92 11619.39 11638.59 11528.12 N-pentadecanoyl-L-Homoserine lactone 25.27 10.05 958.52 1687.2 112857.07 82736.16 32501.69 517.67 46.02 41.05 43.87 454.59 1146.84 34.93 138.66 742.56 277.98 568.54 46.55 20.17 113.97 15.85 763.6 9.81 104.38 111.65 347.28 382 11.99 26.49 255.06 163.85 11.17 10.42 384.86 10.05 10.64 21.9 19.95 12.52 15846.35 698.6 13.17 626.4 23.06 734.88 16.74 16.19 18.85 82.39 9.3 19.79 491.81 38.72 241.3 504.14 727.36 13.7 223.21 949.19 10.86 143.15 16.72 26.2 684.06 184.06 742.25 28.14 451.25 51.5 17.46 48.44 9.14 15.43 163.86 5031.92 7485.23 7035.88 5643.0 14069.09 9790.68 8818.27 24251.24 17855.27 8113.6 10303.95 17567.55 8566.53 11378.98 27153.51 20732.58 10656.93 9519.76 15397.89 9268.17 7185.09 8229.89 11168.44 10079.27 17821.31 7824.67 7871.09 8547.02 7829.04 7961.44 7830.02 7962.68 7616.61 7823.36 Haematommic acid 2215.59 3361.53 6776.33 5033.19 4205.05 3482.72 2008.11 3133.89 432.78 596.08 5791.23 3903.44 5878.9 7069.44 504.95 4386.73 372.9 4381.55 3346.82 2058.84 5145.79 4283.5 3442.52 3537.47 3162.13 2333.54 2317.2 4825.67 3235.88 3466.43 553.25 10318.3 2225.94 7199.27 5568.98 1830.39 3672.28 673.98 10321.05 2500.95 4677.78 6394.55 513.56 3032.47 1495.07 14289.89 2222.1 3187.8 4405.29 2384.03 10247.81 2025.37 5663.99 11426.38 3255.9 2285.56 2510.67 720.11 2702.79 3612.09 1738.08 6588.11 3047.22 1597.47 2280.37 7662.02 3377.89 859.11 3774.3 4559.88 2695.81 2255.24 2105.59 5849.5 14388.3 5193.03 4143.61 1256.06 4460.71 3599.92 3865.11 4299.72 3883.61 3849.87 JWH 073 4-hydroxyindole metabolite-d7 8854.48 4927.68 2566.26 3932.24 8345.07 11329.39 5814.56 6751.42 6634.46 5487.43 7222.06 6915.53 4087.53 4314.75 9214.19 6190.19 6006.16 4369.56 4279.68 4738.31 11620.43 3030.27 3828.53 4429.79 6569.54 7160.17 3609.46 3081.32 5510.93 3249.55 5416.53 2049.02 4199.19 3551.31 3538.8 4416.87 5708.68 2188.24 4296.82 2537.33 7102.67 21727.18 6798.19 6098.76 9825.36 6425.03 5304.96 6899.67 3224.84 3656.64 8645.88 9254.18 5127.28 12094.22 9223.49 7612.69 1829.19 3894.81 6914.66 11992.11 4955.32 4233 9037 5382.2 3872.57 9158.07 9216.61 3722.25 2933.25 6775.07 5498.14 7841.87 7765.83 8689.44 12896.7 7120.17 6883.69 7381.46 7072.14 7137.52 6965.98 6875.03 6817.84 6821.46 His-Glu-Ile-Glu 4159.18 1701.53 1023.07 1940.8 6252.52 3091.9 2034.64 8302.41 7257.97 3069.93 3764.28 3802.33 2241.82 633.38 3044.95 3795.27 927.28 5056.11 2659.6 7302.38 1907.27 1492.05 457.42 928.95 3593.68 1923.35 885.91 443.07 5305.41 2543.47 735.31 1653.2 1697.67 1026.96 1043.02 4099.59 4679.27 567.22 429.84 575.1 8323.56 8426.63 858.78 793.87 7029.25 1985.16 13891.37 721.91 1669.37 4788.49 2840.71 1856.09 383.68 1912.5 4199.05 887.37 678.45 877.43 2370.56 2370.83 1426.01 535.6 1492.17 2293.93 2013.68 5779.22 6951.79 2633.17 3370.52 3843.39 5848.12 2711.31 1968.25 1726.83 1516.9 1421.77 3183.52 3002.92 3246.52 2785.92 3187.59 2979.56 3017.88 3104.44 Rotenonic acid, methyl ether 1328.51 1924.03 5402.77 7221.26 6474.76 3162.78 8177.14 1347.53 3311.12 1220.29 4906.7 9176.43 3937.77 4818.56 3302.32 8568.3 5707.73 1637.76 697.26 1215.03 602.51 1100.83 2245.47 1961.77 2088.86 1426.79 1442.44 2174.29 738.01 1784.15 1164.71 557.39 449.81 3510.18 1372.91 1825.91 403.04 923.42 1913.31 1145.31 1151.87 1336.51 1843.94 9000.04 1143.35 8755.44 1002.21 3501.06 2762.17 2913.84 2593.97 550.46 4425.61 1930.49 3230.57 15222.14 4251.51 6660.71 1494.1 499.25 3032.78 7321.68 1987.54 7139.62 4133.98 1524.31 637.98 4347.78 3054.61 2844.54 1080.38 573.87 3776.57 5230.2 4987.72 2563.06 2781.69 1518.15 2316.69 2483.91 2776.1 3027.67 2757.92 2575 Gln-Leu-Glu-Lys 924.2 703.86 1101.66 1225.82 1227.35 23817 6378.71 294.29 627.98 495.59 1722.19 1121.51 1266.72 738.96 1998.82 299.53 693.29 262.24 235.67 350.31 757.85 485.83 819.71 390.43 406.16 343.29 780 713.04 891.71 550.24 515.46 750.5 193.19 195.45 428.07 178.05 391.49 2715.15 1162.28 494.99 1030.08 572.67 269.19 1284.35 549.95 2125.22 288.09 226.93 426.18 1677.58 1262.17 2340.88 321.64 1553.72 860.07 306.49 163.71 909.32 502.7 405.55 642.02 778.81 685.22 980.37 322.25 578.48 528.77 451.37 497.35 188.44 637.97 418.67 1167.23 333.77 2162.48 49802.83 47532.26 46260.33 45241.14 47961.74 48279.34 58739.75 46343.22 47031.06 45181.68 44708.58 50141.52 46852.06 46599.61 46102.68 46628.34 47312.14 46834.97 45993.6 46014.6 48700.94 45991.24 43753.86 44863.07 44737.81 1776.49 1338.91 1783.71 1472.91 1966.48 1925.02 1626.46 1893.78 2111.1 Bisphenol B 27097.08 11831.1 2412.16 5763.03 19281.62 7536.7 7333.87 36988.58 35844.09 26758.8 7621.91 21937.54 9998.23 11850.68 24434.62 15827.29 8747.75 27154.61 27622.02 24041.78 19506.19 5241.65 6094.45 3893.47 23130.09 17291.03 2648.9 8530.73 32433.09 7162.69 22965.67 21588 13285.82 5398.72 2709.5 26735.33 18619.17 2092.57 9465.49 6096.99 27583.67 34986.78 6504.85 8827.92 37812.12 13257.49 42393.14 12430.62 22670.13 30389.1 20814.61 12034.92 5837.58 6789.49 22010.04 13932.22 2514.42 2471.69 25990.53 6614.01 3628.37 6854.69 9460.09 7324.56 14270.83 28520.78 16121.81 16164.88 13534.92 31795.32 34562.43 14982.59 12262.02 9675.91 11939.36 24479.53 24005.24 24005.36 24449.46 24461.18 25884.8 24004.27 24468.74 24005.9 isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH 186622.7 140284.92 149589.87 235176.05 81203.16 19960 134287.81 214284.77 237987.82 231954.63 205678.38 156130.04 187476.26 189874.16 262425.51 204308.72 248078.81 140154.7 293612.95 174882.96 123486.35 33677.89 152411.35 135864.67 129727.03 64178.89 99507.22 81994.44 160799.14 47952.31 24565.36 103076.76 106210.65 105832.08 115126.29 137996.67 140883.52 6118.19 170215.87 63611.72 116342.49 137808.97 187079.47 206679.17 190898.91 163414.51 252791.21 184917.36 170425.92 159572.64 126429.15 165899.47 158532.93 145412.71 182256.59 183709.61 145936.5 158588.89 188961.14 76633.72 275887.45 174275.05 222015.57 227576.44 203402.41 165612.19 122033 193466.64 133525.59 236767.72 236743.61 358551.61 204575.62 231976.04 270891.69 3254.67 10969.34 3635.01 4326.23 3849.39 3523.03 3875.72 3099.68 3295.65 3461.72 5587.82 3847.73 3796.34 3420.99 3858.99 4283.64 3743.06 3759.27 3547.75 3419.42 3623.63 3612.49 3563.0 3496.49 4201.17 204526.41 206724.93 206668.3 206638.18 204508.86 206104.25 206350.59 204261.04 196144.65 Emodic acid 2045.52 4818.77 1418.96 2821.99 1518.9 4833.18 4847.24 3649.98 2722.8 4422.7 4755.94 4373.15 5821.54 5329.32 894.95 4315.54 3644.01 6208.7 5065.33 576.97 3501.2 1584.53 3813.27 3145.79 1761.21 1245.08 1815.69 1544.24 3837.47 1029.71 2847.08 4065.9 1715.47 1359.7 2055.03 1866.58 3864.62 1064.48 3944.02 1753.18 1623.03 4450.43 3742.65 5191.59 1052.4 5374.62 1079.52 6489.27 913.88 798.67 3625.2 5542.02 4654.27 4683.44 4041.79 3659.19 729.19 1094.69 2902.73 1422.65 3920.7 3179.69 3966.72 3336.31 5723.62 8389.81 11996.77 5312.27 4729.43 2660.75 3624.83 5834.05 4691.07 6419.03 4303.91 3653.46 3714.22 3733.63 3460.07 3980.08 4087.22 1626.86 4124.83 3988.29 Glafenine 6511.86 25669.98 1260.48 1748.76 2461.56 877.29 515.02 5956.27 18842.34 11873.31 6693.97 1150.93 676.91 5573.51 25758.86 17478.89 12562.69 12581.14 8821.72 6812.91 3669.96 10865.22 371.64 3862.74 4752.96 11431.96 1970.75 2438.17 1556.58 880.43 3334.85 3702.95 3312.69 1186.31 1655.8 1872.38 9773.13 7756.93 2338.61 7524.03 1463.8 6705.8 7559.55 5495.97 4175.12 2473.15 8520.79 1927.53 5867.71 16357.45 5040.88 2266.1 3629 2190.35 15786 29210.91 2369.72 2882.57 17947.36 4819.6 3165.67 2181.51 36871.58 20411.27 31744.77 6495.47 5888.56 10170.24 13105.32 15829.41 9443.49 15021.08 19282.39 16025.44 7915.37 9044.94 9799.09 9155.14 9139.94 9104.79 10354.12 9069.72 9037.25 9510.53 7-Hydroxymethotrexate 4281.18 5423.84 881.16 277.89 5103.41 1415.33 2206.88 9251.68 5793.79 4128.47 555.69 983.73 1627.3 1741.12 11651.3 1342.79 1480.67 11110.25 11598.48 11767.65 3111 1351.28 450.29 763.02 3620.29 4968.86 269.21 642.87 6216.28 784.22 1482.2 1924.06 5254.71 854.15 394.33 2779.78 2958.22 910.61 1205.23 381.03 1312.19 5910.29 2005.26 1700.18 2836.66 2812.68 8053.51 6472.56 711.86 6265.47 2394.12 2567.13 1618.64 1366.08 4666.43 5195.64 581.33 239.61 11936.26 314.64 650.76 1067.72 4555.49 3967.18 4823.58 1507.55 1147.65 1292.87 1769.24 10691.25 13446.97 2867.54 3957.32 2082.69 372.55 2791.12 5910.28 6948.24 5141.82 5455.22 5355.38 6054.98 5000.81 7163.41 JWH 018 N-pentanoic acid metabolite 16854.62 17327.41 6821.01 8983.19 18208.48 13473.85 13782.79 24246.21 24606.38 19658.28 19725.69 21423.74 17419.39 16508.49 21639.96 19715.84 15424.73 22490.33 18653.31 29222.41 17878.92 10444.68 12500.47 11014.61 15022.42 12979.59 7498.11 10069.51 14780.7 12353.94 14259.01 19137.67 12478.47 8262.42 8890.85 14946.19 16378.36 4463.88 13310.91 6878.82 21224.44 24545.07 14636.54 15464.93 26738.73 5983.44 26278.43 13730.94 9547.15 23119.15 16429.03 17402.08 13290.32 12461.09 17829.34 16922.92 7335.45 8299.35 23981.3 10562.56 13877.47 16094.3 15437.51 18743.92 16151.21 25884.69 28056.44 20707.08 20649.35 21753 18394.02 20516.54 16109.38 12754.74 15158.54 18649.84 19021.94 18829.85 19022.56 18997.21 19110.49 19030.19 18854.26 18830.75 His-Asn-Phe-Lys 6493.05 6103.75 25307.79 6144.64 11897.56 11686.72 8124.27 4174.31 14338.02 11250.32 28688.61 11535.59 9689.61 7425.87 16570.59 35129.43 11806.97 11125.48 55161.97 29206.56 17708.21 10896.89 30302.55 31194.35 11343.61 16236.65 10933.53 19599.16 4859.21 16933.4 9256.61 26121.59 7649.81 18882.54 23255.47 4273.48 6719.21 860.04 10840.34 7031.42 13083.29 10211.71 38002.2 35016.76 11144.88 14652.57 10245.15 42191.63 29123.64 17220.98 6569.44 12883.36 30089.57 16484.42 9334.44 8778.61 17606.37 33106.3 10604 10607.72 40075.68 27547.53 13341.9 41460.43 47165.96 5472.32 6731.17 31029.21 22012.09 8742.65 4862.26 25331.5 56199.07 40445.19 27242.73 14432.36 12961.01 12834.88 13434.71 13901.73 5771.07 13621.06 12670.38 12750.53 PtdIns-(3,4)-P2(1,2-dioctanoyl) 899.2 2911.13 3434.12 3415.74 452.7 425.82 2100.05 1681.43 1917.11 1824.45 1953.8 1220.92 2204.11 4127.16 1563.62 1628.75 2860.82 2336.31 908.61 3127.52 1640.76 1757.39 4110.8 4998.36 2369.5 2306.32 5965.84 3935.37 1671.69 1026.05 2069.17 2265.68 933.09 3187.01 4199.13 4081.92 1028.43 1012.02 4850.84 3896.71 768.55 2085.2 4359.68 3395.42 2454.42 1594.99 1768.72 3843.29 2116.28 408.99 1181.97 2021.27 4361.4 3712.45 1655.12 2328.99 1305.56 2245.15 1632.93 2169.35 6151.73 4695.37 2037.51 831.71 4166.75 2149.25 1666.52 1781.64 4624.88 6153.93 1756.69 2029.85 2536.26 5927.54 1306.09 2517.6 2424.1 2541.84 1018.14 3520.01 2727.72 2939.84 2942.28 2512.47 2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid 12183.5 13559.43 16271.71 22435.36 11138.74 19705.38 14281.55 10336.63 6677.22 16054.51 25126.31 14644.09 709.68 13000.76 4100.62 11097.15 28148.22 3850.02 4599.54 3427.86 15242.9 11051.5 23137.4 21091.59 14412.93 12791.92 19468.33 24498.69 17048.67 15965.22 4678.07 15319.13 13641.36 29869.25 16727.05 14207.77 18715.74 6435.28 26699.16 21324.69 8839.72 13717.89 27517.11 27126.71 1811.58 14592.25 12486.87 21085.76 17605.91 6590.03 14887.21 12639.83 25181.34 28407.42 4119.83 12787.63 13993.34 28533.73 6772.09 11287.15 20452.4 15580.25 13267.19 24944.67 16074.81 13199.33 916.54 16632.82 15896.4 16579.38 17676.93 22364.42 23093.55 20788.46 16861.77 10563.02 10617.56 9962.82 10074.79 11275.6 11563.99 11283.17 11941.09 8641.75 Chloroxuron 27349.9 11672.33 2607.94 5919.75 32145.4 15306.26 9814.35 29817.98 26348.97 12011.26 10620.99 11390.15 15632.11 9841.76 7960.89 10862.04 5968.25 22397.92 13084.61 30215.04 10467.85 5308.9 6823.5 3495.85 7749.1 3355.28 2321.93 5617.11 8456.84 14525.54 6570.55 12234 1861.74 5026.16 3096.33 14637.71 18504.77 3386.55 8387.63 3658.93 12404.98 25011.62 8433.09 6024.56 48946.15 14680.61 29431.77 8786.45 6448.51 11388.7 15075.07 16947.5 6506.83 9309.53 11974.54 18198.32 3658.58 4801.08 16675.28 13101.3 6389.37 2870.42 13958.13 7240.35 6872.23 28038.85 36915.88 11989.25 9750.9 19659.87 22118.32 12946.06 7996.4 6378.57 11022.01 20721.76 16881.54 16377.73 15357.19 16924.35 15781.5 16616.25 15314.84 11144.83 BIX 01294 Trihydrochloride 8777.12 3927.54 1765.88 4954.71 7152.01 6731.9 9618.2 13693.57 11858.19 9595.37 8083.17 9347.11 5451.74 3179.23 6898.65 14766.57 5938.27 6410.45 8042.21 13868.5 6778.22 1515.67 2308 1248.13 2105.68 3257.75 1526.43 3357.4 2605.84 967.68 1058.01 2016.07 3113.39 3319.25 2122.31 1696.34 3138.9 458.91 5629.58 2141.26 13171.59 3362.21 4546.6 3554.13 7855.7 2191.6 7795.43 5126.02 1584.1 9662.04 4913.63 3215.71 5147.75 4998.26 3929.86 6273.61 889.97 2377.14 6912.84 5819.19 2352.37 4142.67 1139.98 5358.84 6307.82 14592.47 8946.08 3060 6148.5 7206.99 5884.47 10149.79 8114.83 7792.7 8123.51 8133.86 7352.91 7337.9 6577.21 7622.76 7653.57 7662.57 7662.09 7385.2 Glu-Asp-Val-Asp 4532.41 2716.64 1836.66 1522.46 4118.94 3373.84 7448.7 3243.11 8786.24 6645.05 9115.23 5946.99 6081.53 3328.9 7513.47 8242.93 2836.66 3335.87 5489.09 9293.14 2132.96 2920.88 1971.54 1003.12 1346.52 1327.26 4032.84 1703.89 4831.62 2547.39 4574.1 4964 4882.71 3034.82 502.81 3611.78 5110.25 518.06 3653.34 1841.76 13293.27 5751.3 1899.34 3544.18 3788.26 1709.49 2111.6 1600.43 4204.04 5213.75 2096.11 1427.16 5675.59 3161.9 5405.71 2679.31 3081.16 1238.7 5338.59 2810.56 2623.85 3122.75 1449.57 4687.44 4468.32 7981.96 5156.96 5100.21 5395.52 12187.38 1364.7 10224.42 6620.36 869.25 9646.37 5508.78 6023.19 5439.51 5032.23 5890.89 5811.28 5545.72 5770.66 5861.37 Hydrolysis product OF bussein 7620.19 2195.46 203.36 6264.43 11425.31 63758.3 23928.12 4613.86 530.88 34590.25 326.73 450.98 196.52 5624.89 2317.01 737.73 345.72 415.78 508.56 536.93 3498.57 25119.51 3604.94 3065.84 342.47 23002.66 664.49 229.83 467.89 380.64 147.56 148.49 13320.64 3669.98 3383.47 2645.55 328.16 11618.18 457.65 2421.45 5068.4 4412.18 328.1 230.16 4622.96 452.35 310.21 284.69 280.22 1415.93 6020.34 239.84 5101.46 339.99 5342.18 179.74 9176.41 17693.13 490.32 90883.01 4865.77 1734.39 518.54 246.24 249.65 6474.7 5262.25 5469.16 379.44 4371.26 469.42 26212.19 5474.12 254.52 3616.49 13616.14 13531.99 13005.94 13655.82 13558.39 14376.87 14010.29 15383.02 13542.84 Tyr-Thr-Gln-Arg 11244.53 1085.63 6500.17 10029.36 37110.67 13565.25 14459.29 18526.11 18203.54 19474.07 17269.1 36384.1 34313.01 16967.61 12757.38 36008 11130.6 18397.29 27654.95 16085.55 14358.32 5129.99 8125.72 5693.44 7800.81 5174.82 5763.7 6148.36 15284.8 12669.71 6573.3 32360.24 6297.72 8014.23 7558.28 7150.04 7182.35 1555.18 6907.2 4192.38 15442.18 18537.7 12884.28 13053.75 23881.97 19889.55 10877.86 11556.9 18042.81 25625.88 15201.91 9648.82 15210.83 14428.19 16983.96 1611.8 2185.35 6634.69 22652.47 9183.31 11456.48 13872.79 11942.35 13764.85 12044.55 21899.53 10181.33 13907.22 11253.93 12805.56 12482.95 19189.44 14188.74 13038.98 18905.8 18509.75 18904.94 18905.99 18900.45 19988.97 18359.12 18891.9 16936.56 18951.94 Tyr-Gln-Ile-Arg 4815.19 1059.27 1028.83 4958.95 4318.1 11870.87 3423.61 1966.39 3932.05 1087.51 563.49 2030.22 2287.63 664.06 12029.43 1952.52 2467.63 7675.13 4102.85 10880.01 1312.23 2637.05 661.19 477.73 625.88 2072.88 1293.37 586.62 2703.92 987.39 1728.73 845.61 2104.25 734.98 727.16 1078.73 1623.71 340.92 710.74 555.56 3465.91 2057.3 797.9 1046.28 4254.01 655.54 1774.03 739.68 228.58 1856.65 809.42 6984.75 1273.54 1588.82 5452.19 4995.63 632.05 441.91 1954.84 3803.08 1549.82 1002.56 3474.22 555.95 548.77 6671.93 1850.16 343.24 369.39 7144.59 214.73 2043.69 416.37 1680.95 5166.31 4651.26 4516.56 4241.6 4583.44 4798.48 4619.3 4189.08 4575.43 4531.31 6-Methoxyflavanone 85943.14 17353.48 11631.34 9933.49 63742.42 61362.78 26128.53 78913.66 93715.31 47917.95 25604.78 54723.05 2918.63 19964.93 60668.67 29605.51 7803.48 52252.61 40358.01 156172.79 51096.69 3283.51 1898.55 12483.48 51202.4 26039.92 10336.04 21770.67 59453.5 50696.89 148204.29 30600.34 10971.72 2305.45 2672.78 44197.11 36890.5 1512.81 19591.27 10860.11 109009.12 76004.57 9279.86 19511.07 87137.48 29969.83 111143.27 9836.68 34446.88 11682.7 60425.25 29064.81 2135.94 8942.4 52514.24 12337.75 10965.98 15206.33 47066.16 6752.39 8236.46 13103.8 34475.37 13562.89 12293.08 63389.43 30984.33 30492.77 29703.81 57308.52 60255.29 31672.07 26976.17 11753.58 16736.73 42889.05 41145.81 39487.82 42937.09 42941.74 42648.05 16617.2 40444.26 49121.4 Thiacloprid 7091.2 8881.46 7732.94 15496.28 13185.81 27762.91 16452.66 13990.66 12519.07 25889.87 18994.25 11604.64 10072.56 8386.32 11752.97 10393.9 7306.89 14017.34 14285.01 17048.33 4953.21 12212 10082.99 7529.22 5395.02 4192 706.15 7097.03 3375.05 1189.6 2432.6 4996.97 4529.26 6526.65 6139.32 4301.1 6764.34 3403.67 14785.97 4822.03 10560.77 10689.77 6192.37 5710.13 14141.52 8943.13 13764.93 7728.39 4259.73 13744.88 1667.02 9336.21 7439.97 9136.84 5537.38 9352.61 9799.2 12381.66 12568.08 16005.25 14177.78 16731.72 10246.39 8167.9 12208.37 10669.2 14787 8121.16 1810.33 10378.2 10194.93 23141.96 13534.71 8629.49 1775.74 12194.49 12225 12226.8 12311.41 12086.59 12078.45 12083.77 11798.82 12209.11 Ramiprilat 5657.82 4680.33 9344.95 14021.8 5840.34 9305.25 17266.43 7823.38 4177.84 9375.41 13777.28 14890.18 14941.68 12404.41 5405.85 17752.94 11979.24 5266.39 13515.44 8459.91 5821.66 4652.43 8773.3 9699.1 4454.03 3656.04 6651.32 9167.21 3132.91 8568.95 4021.36 9551.45 4064.76 7716.02 7123.81 3470.1 4407.35 1878.77 11190.34 7602.05 4358.49 6288.22 12165.36 12511.2 8872.46 12553.89 7672.98 12167.08 7621.12 14027.23 4083.82 6787.07 12086.01 12444.35 3565.03 5347.5 6957 8617.86 5599.58 6510.95 11816.09 15116.81 6083.27 16330.24 13564.16 4866.93 5844.7 11619.35 11500.55 6406.15 6746.89 13264.2 15834.4 14109.6 18355.34 10947.61 10888.46 10998.28 10889.84 10999.18 10614.47 11066.73 11526.28 10888.22 Caffeic acid phenethyl ester 31389.57 17496.81 4172.94 11508.61 21040.36 20031.53 2115.67 35206.57 48811.74 43997.63 17148.97 28389.11 22624.11 19443.21 25946.65 16524.37 13042.2 34477.57 38775.28 63767.37 29376.48 15128.87 14115.08 9691.22 31359.37 18919.76 8270.11 23700.72 33292.08 35028.6 40943.74 28062.22 19326.02 14518.27 7368.34 27603.6 21517.73 8924.86 20662.35 5749.3 62144.16 34329.23 11385.94 11070.88 48497.77 21960.95 132108.26 24112.7 74369.64 50069.11 8077.48 7149.42 13828.81 12801.35 29956.3 13196.2 6219.78 8408.57 26661.75 1740.43 16198.6 28340.81 20995.4 15799.22 19116.56 29988.64 25484.38 36980.8 40207.22 30416.24 35930.13 19533.25 26753.82 10695.49 14047.66 33142.81 34511.95 33132.65 33411.47 33502.79 33140.85 33414.71 32675.75 33460.18 Triptolide analog 9671.91 14763.62 13874.62 16675.69 24611.97 19136.29 19786.65 3344.44 1338.44 21702.7 17602.85 14422.32 45784.82 19198.94 13881.18 14996.02 15613.68 6202.26 24564.51 487.32 1421.82 6387.58 15696.83 11445.63 14747.73 5870.86 10070.5 7389.95 14171.17 5910.71 14925.4 11895.16 8349.74 10612.18 9294.63 9342.48 11717.62 934.44 15228.25 8105.73 1103 5482.4 15219.63 21241.95 4637.52 13880.4 6341.71 23199.62 7670.28 4726.77 3760.23 21840.66 15924.01 17195.21 7318.64 32870.94 16256.21 22436.11 13576.77 15933.34 18802.51 27836.74 33866.42 15315.06 13608.51 28091.1 2463.95 22377.5 18259.48 14080.1 8794.42 21015.36 11251.69 24056.27 19227.68 17258.14 18143.36 17207.56 16754.27 16880.74 16524.26 16563.68 16463.53 11912.87 9-nitro-9E-octadecenoic acid 123.07 235.75 491.93 1566.26 3107.54 4500.64 16749.75 127.23 152.66 142.39 115.85 469.54 964.92 76.24 124.22 329.99 252.19 274.09 187.65 190.44 197.57 1143.74 95.42 186.72 218.7 186.95 162.88 123.74 203.53 68.75 148.41 84.2 198.12 213.71 200.08 92.1 166.97 869.41 110.43 188.16 2626.57 294.47 115.41 267.41 203.83 1247.22 198.78 87.57 457.54 480.14 121.26 68.75 217.47 228.15 600.05 77.99 915 940.17 221.19 354.85 380.78 512.72 72.34 90.46 241.51 204.18 282.05 75.7 183.46 187.54 72.07 350.69 231.57 128.85 479.01 1642.49 1405.89 1624.35 1703.54 1609.77 1702.49 1882.88 1351.29 1630.28 Daidzein 4'-O-glucuronide 733.55 1720.2 9012.81 2951.83 2831.65 4394.85 969.03 1124.07 1550.33 2563.95 1224.95 1456.24 1849.85 2512.75 4791.09 1739.37 2344.51 1198.26 4969.09 3498.6 1516.48 7865.98 5114.73 856.08 3220.24 2761.61 782.28 4413.73 6095.3 604.91 1796.54 2753.71 7599.17 6503.65 7683.68 1018.6 713.22 6052.51 3126.74 2184.37 1039.3 2879.3 5012.73 4124.26 5693.75 2683.58 8537.95 2451.51 3926.08 8408.03 1037.37 5409.27 3941.83 6851.24 2180.79 3243.73 793.59 10451.19 5347.96 8740.78 5996.33 5623.21 5891.4 8372.31 8062.02 1957.15 5085.68 3959.54 4401.19 2682.78 8185.08 5023.91 4988.53 7252.29 7071.31 3366.01 4635.36 4986.91 3447.28 1474.47 2541.81 4992.76 2003.26 3677.61 3722.7 4634.91 4630.74 4623.58 2842.16 4907.78 4046.52 5435.68 3017.71 3726.96 2888.53 5013.32 5365.24 4052.55 5716.92 3278.31 5376.72 5007.84 4390.6 4431.92 4497.13 4688.28 4399.7 4227.72 4505.76 Carbadox 27538.66 35662.85 6666.54 10067.94 25868.21 36183.73 11954.07 39576.45 47604.07 29644.51 22997.39 21678.71 10602.09 14502.34 60856.97 19783.65 14214.44 61100.8 51654.16 63872.23 23633.61 23339.61 8836.9 9081.44 23407.17 24691.41 6537.44 7724.16 28790.66 8234.09 30732.08 30842.49 26651.82 8689.5 8594.23 18684.05 28662.88 10792.96 11665.81 7941.69 27460.01 32427.02 15099.31 11207.82 60414.02 25395.17 42323.21 19351.53 8982.96 24546.39 21173.72 35839.52 12502.34 14059.04 33054.49 38487.58 6400.75 7907.1 38425.02 32039.3 11866.4 11964.25 40790.93 20942.15 17524.49 37625.07 49842.61 15088.82 12636.79 43751.44 41653.81 36054.44 18698.83 17325.06 19475.13 31483.5 32814.81 32756.19 33822.36 32501.11 33331.59 33064.41 32751.04 33072.38 (1S,2R,5S)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol 505.9 7195.41 7018.84 7111.01 10176.57 13018 10958.35 9443.34 10818.61 10936.24 8370.85 12615.52 9801.92 8940.06 8911.42 10823.8 10783.4 7885.66 10612.56 10147.08 7309.02 5897.32 5949.12 4809.29 5824.04 6743.77 6258.77 5104.48 4251.67 5509.44 5845.71 6685.41 6667.71 5582.91 6891.74 5619.77 6261.96 5914.96 6039.53 5339.68 7074.66 8515.06 7211.13 8130.4 10758.9 9162.35 12305.75 11266.5 8593.2 7211.68 11490.06 7769.07 7182.96 7142.97 9277.73 11608.34 7505.84 7863.46 8332.44 11586.96 4734.55 11339.31 11749.66 9591.35 8163.48 11416.24 11741 8496.63 9478.08 9802.91 11475.16 11373.15 10121.04 8539.78 9707.64 10947.71 11277.49 11590.45 10905.92 11031.3 11748.41 11033.32 11298.17 11286 4-ene-Valproic acid 36957.22 63868.8 6732.45 27723.42 93791.18 14209.4 22632.57 90119.54 60160 22818.42 24380.71 54766.87 50858.15 34502.1 185216.5 86555.35 49208.99 215333.92 95490.88 95273.73 74069.62 11116.8 7767.7 35228.39 57887.6 25455.93 21465.4 11104.97 54720.79 11674.31 72677.35 69137.47 11940.28 5780.91 16176.41 56112.33 54841.26 2791.71 6187.53 22622.74 174084.23 135699.11 40161.04 37866.79 86861.71 29682.09 182220.27 56598.95 8522.55 72847.6 12441.74 25402.8 16991.6 30335 154106 99906.54 17630.2 29143.39 81649.64 33293.84 52436.38 15468.47 65107.77 33020.5 45868.12 140579.01 45537.34 40161.28 136048.8 115662.23 33726.17 67947.15 28854.44 48315.25 39340.77 67727.03 67838.08 68227.6 67653.61 68333.85 68276.25 67738.04 66878.11 68223.51 Ketoprofen glucuronide 9650.89 7855.07 11530.3 7405.43 4187.16 2935.07 4214.66 5317.25 4981.21 14193.8 9019.88 2251.12 4608.2 2344.44 4704.09 5608.44 7440.62 4394.11 5111.45 3626.49 10217.66 9524.76 13552.88 13703.92 19891.4 17582.12 17892.79 11342.72 3041.08 21265.8 7874.86 7679.27 13356.64 17176.68 16649.42 13984.61 9033.13 6478.98 15256.97 4478.31 5653.03 6294.71 16136.76 7745.51 6008.85 5816.68 6424.23 10662.47 18464.39 4269.77 7014.14 7750.16 14309.31 1853.32 3057.65 6769.37 5263.31 7523.81 6890.99 14686.89 17212.08 10854.6 8620.69 5606.72 2422.28 6121.63 4515.41 7609.04 13704.88 1749.53 6310.67 2349.16 7788.75 7322.58 5565 5633.58 5680.69 5597.73 5603.86 5635.92 5675.9 5653.71 5790.67 5593.84 (S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite 24561.08 4862.76 3718.04 5398.3 7660.98 7547.16 20288.21 8123.17 8900.27 1985.73 16863.66 4028.36 6434.3 6195.99 1515.13 2112.92 1258.12 4264 1017.38 4499.17 12924.28 5855 8429.93 7867.38 2030.05 2653.1 6659.28 14599.3 4702.45 6236.99 3355.21 5742.86 4662.02 8543.92 5916.18 7401.18 2828.54 3284.86 10996.38 5355.2 1722.73 3693.3 6645.39 12868.15 11515.69 11425.47 9458.2 2820.29 14438.29 7650.83 19498.71 1892.29 657.03 9212.18 2616.22 2821.49 3916.34 579.57 992.28 9258.43 5008.05 3368.78 11621.93 1014.59 4334.44 6370.12 10810.87 10103.81 15530.09 6600.24 9980.42 23381.14 1880.26 2924.04 18254.41 5554.63 5683.6 5354.07 5639.95 5405.2 2693.47 5665.14 5502.89 6155.8 1-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3H-indol-2-one 8527.63 11223.89 7513.57 13414.99 16507 8059.58 7665.74 17996.98 10576.9 12760.39 10835.77 16956.3 17201.32 11611.21 16575.64 11909.42 10468.6 10204.81 18209.97 1877.76 8074.21 10815.17 6440.42 8427.47 18646.25 5782.2 3789.93 6349.5 17749.88 3141.89 6197.86 10321.04 6610.78 8469.88 9409.72 12603.34 10247.53 3986.09 11407.6 7980.16 15623.32 11037.07 7163.19 11178.15 9910.78 7089.91 12238.2 10075.4 8926.27 5819.36 16742.4 19524.99 16170.49 8200.18 16329.75 20909.59 12399.62 11915.6 12873.94 14183.61 4909.07 16439.01 13127.64 5012.93 6590.59 21837.86 14902.13 20082.38 11878.81 23812.19 8485.3 12223.48 6105.58 7461.05 11484.46 6479.5 10033.37 8153.88 8206.04 8685.7 6532.67 6423.27 6190.47 7913.55 6459.71 8385.19 19689.09 6731.92 6246.86 6695.88 6152.02 9969.15 6825.95 7291.35 7033.07 8241.28 6211.1 6863.88 6779.22 9138.91 11690.2 13934.89 11981.96 13066.76 12914.35 13079.02 12809.11 11898.63 11992.52 JWH 073 N-(4-hydroxybutyl) metabolite-d5 2566.93 3327.33 1812.34 920.33 1726.79 2727.46 3969.63 4019.4 760.01 6885.24 1274.63 3155.02 830.97 3452.62 3258.72 2809.47 4285.19 885.05 7027.12 785.11 1630.63 6995.54 2258.94 693.82 1594.89 5869.24 4414.69 2768.69 1988.55 1438.7 1407.51 5777.55 3253.47 528.54 496.52 3479.2 1731.82 1437.08 1025.63 855.11 904.8 2812.39 910.41 994.34 687.29 5595.4 730.16 2802.27 1438.61 2928.48 1545.4 1128.83 2672.61 1940.35 1606.37 3116.11 1899.03 1567.71 3832.02 4149.8 2110.72 3139.27 1313.81 618.82 2580.15 931.21 1115.84 4320.03 1447.34 5300.41 3290.91 8928.98 3359.99 966.33 2034.85 3473.51 3436.59 3427.95 3492.48 2513.32 3210.88 3420.65 3421.35 3490.33 JWH 073 N-butanoic acid metabolite 3790.39 482.28 1040.53 1126.64 596.38 300.55 2290.55 6897.74 4558.56 16304.73 1374.31 4075.7 1306.33 1233.27 1942.71 507.47 2253.38 324.07 2353.66 4823.96 3933.88 1591.27 1070.61 1615.97 3357.61 797.57 1021.76 1383.25 21608.21 8023.47 4837.59 10969.88 403.14 2126.66 769.1 5353.4 3398.77 654.46 3766.1 3131.72 1293.52 2852.99 1510.03 342.24 12030.6 4289.45 9779.12 446.11 583.56 1312.15 586.31 1198.65 1794.43 1565 914.88 2584.79 633.28 1370.14 2158.09 1986.28 1648.96 2167.35 1888.06 1637.1 2680.3 879.16 4450.33 3101.87 2096.84 4087.79 4377.43 9690.9 5279.15 1869.05 1546.23 4069.2 4144.46 4146.94 4059.57 4149.62 4197.59 4144.71 3969.64 4147.13 2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine 6149.59 9227.91 17847.44 24947.16 8268.26 36387.89 11313.97 5556.82 10300.59 7832.99 23523.27 10763.63 20430.88 13352.16 7809.12 25086.35 26490.95 7667.61 22855.04 11952.27 16120.45 18603.98 27620.32 28729.06 10651.18 9706.11 13792.34 20470.19 5889.83 19273.86 11073.87 12779.53 4867.06 14870.08 17962.53 3517.12 7083 9227.11 13984.04 10718.11 17133.84 6187.22 27707.59 20617.74 6472.9 18111.18 6363.89 17326.14 22637.79 32145.37 8806.27 12433.52 18913.44 34548.01 9492.18 8886.81 10750.7 13476.59 11457.52 34306.06 21338.76 23573.5 12991.04 31291.26 23520.6 4885.88 5840.39 18839.53 13846.23 7402.42 3860.35 23462.69 37763.56 27360.8 27833.97 5689.51 14567.14 5507.88 5550.52 5826.09 5946.71 5501.79 5703.56 5568.81 5239.08 6865.17 5788.88 5447.4 5844.09 5611.7 7277.8 5890.42 5786.0 5776.52 5050.58 5848.17 5616.23 5661.15 5616.52 5719.15 11572.11 11708.54 10204.17 11491.73 10982.83 10930.21 10896.96 11474.66 11577.36 Glu-Tyr-Ala-Asp 5521.57 8260.71 6962.41 8058.9 17622.69 7585.05 17016.23 9775.23 11586.76 6906.67 11895.05 18002.15 17197.49 7547.98 23214.88 27680.77 22602.17 22180.05 27422.64 12872.68 3504.84 8682.21 2777.58 3804.77 5907.01 8596.66 8353.97 6951.73 14517.67 4195.24 7645.95 8389.07 11127.2 21971.87 21857.33 4880.37 6698.72 396.24 1079.35 16735.51 6905.03 6727.39 21781.94 6819.18 8967.92 30240.45 13540.57 30288.35 3978.67 10982.33 3627.7 8338.86 21961.92 45202.15 10066.99 13685.38 9468 61404.86 13673.59 24448.63 16213.83 8310.74 21966.88 39057.91 44060.8 13244.24 9405.93 5389.35 7516.74 8807.47 16024.77 6951.43 21503.29 59049.62 24892.26 18533.46 18402.9 18283.24 19018.37 18599.06 18598.28 18409.1 18603.88 18455.46 Tyr-Asp-Leu-Glu 5151.53 4325.89 2293.91 1145.98 6169.55 3392.77 6085.53 1961.94 3829.57 8408.94 12650.92 12669.93 11064.87 8608.56 2985.33 8173.09 4830.73 10183.9 11385.31 9797.38 6803.65 5676.15 5900.17 6040.67 10362.42 8748.35 3777.45 11192.46 10283.71 11183.76 9038.23 9666.38 3274.66 5645.79 5271.74 8364.8 5023.06 4052.21 9423.2 5457.05 15180.84 10967.43 13839.36 8112.77 6967.49 6220 7717.96 15192.47 7737.09 10117.79 8219.32 7726.51 11118.95 13854.49 7118.91 2219.8 1910.3 989.7 5543.33 5437.69 6016.22 2806.93 5750.38 5467.27 6251.66 12156.29 6472.19 8468.51 7597.2 9399.07 3569.63 7073.53 8607.13 3313.07 10634.06 7028.75 7428.53 7326.34 7840.67 7970.83 9150.82 7171.88 7310.07 7818.24 Phenol glucuronide 3025.68 28182.7 2076.38 8139.1 4239.05 4278.5 2353.79 5501.43 1079.85 3101.02 2961.82 579.68 18507.53 11090.95 44818.77 1621.25 9751.22 68252.14 4983.27 26658.17 3468.5 804.55 1026.92 1229.79 2961 4122.79 1519.26 1436.84 2020.85 2631.41 19677.35 2585.28 3210.31 1590.83 1192.63 917.97 3121.76 1467.88 1394.91 672.18 2617.73 2874.78 527.76 2655.14 36599.55 13651.72 1844.09 2703.81 2947.33 2364.43 8042 34178.9 2165.04 6569.42 17132.94 40635.54 1978.9 1456.2 5511.73 573.24 1893.99 1644.55 21279.91 1996.49 3741.88 32922.15 43858.44 3413.22 1646.24 6269.54 4235.02 5695.41 1920.97 1014.61 2176.01 5065.22 4070.3 5572.01 4944.44 4808.21 4990.43 4561.98 3378.19 4303.06 3622.99 8680.21 4880.4 4547.14 4565.13 6661.42 4860.09 4428.4 3514.63 5536.36 5848.34 3978.44 6784.86 5161.17 6812.6 4794.94 5436.18 5542.04 5162.32 5791.27 5263.57 5515.66 5397.8 5056.88 4018.77 N-[2-(Dimethylamino)ethyl]-N-methyl-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide 8517.34 4235.3 1971.86 1919.19 17727.55 2461.77 3971.25 12542.21 3656.55 3145.09 6183.6 17710.07 4702.55 4748.48 10364.32 15872.32 3211.25 18661.03 11058.73 9505.83 6735.9 3666.28 4028.23 3628.41 5893.24 2466.72 1472.32 4351.12 9669.19 17624.94 6267.73 18010.11 1240.46 1781.86 3233.4 9065.31 5158.1 2021.5 2027.27 1746.08 8624.84 26418.46 5632.17 2885.78 14943.2 4804.42 4061.12 12569.29 18588.51 13810.92 17453.87 2763.16 4226.82 5525.27 5317.68 4577.77 677.71 715.5 17221.88 2406.59 6621.84 2272.99 3596.3 1424.8 6154.75 8993.27 1791.86 7135.6 8622.9 10584.39 3273.97 12165.69 7158.18 5154.93 4842.89 9034.51 13942.77 20709.99 55215.07 21162.36 11871.37 19221.42 10107.47 8821.74 16194.82 8823.93 9501.56 13826.37 10216.67 12303.71 7644.02 16378.24 31173.75 10514.36 16135.22 18585.3 21007.26 24132.97 17959.95 12667.53 1988.51 5937.29 6379.86 5004.39 5625.93 5430.35 5187.98 4552.07 5670.32 His-Asn-Ile-Asp 6733.21 6882.73 2939.08 5340.07 6696.62 13617.04 5303.09 7136.36 12024.47 6145.62 7771.8 10937.81 8078.76 6112.04 11044.45 10725.23 4658.02 7247.35 10857.39 18173.61 4645.61 4429.79 5009.67 3541.82 3573.54 7158.48 2201.69 5792.02 7039.32 1814.68 3728.04 3331.64 5205.2 4094.25 2824.1 5283.65 3336.63 1401.7 4392.73 2055.41 10859.19 7494.62 5294.65 4636.31 17218.94 3844.55 7811.14 4109.57 3249.33 14523.15 7296.15 10002.71 4503.15 5957.65 6207.63 9244.1 1045.73 2407.69 6223.74 4939.04 4592.31 4384.67 6855.49 7255.02 5970.3 6258.33 14239.08 3029.76 4769.67 20058.85 5772.39 5981.53 6234.82 7270.81 5268.41 10322.52 8352.49 9631.94 10348.67 9726.8 10253.05 9800.06 10532.57 10242.43 N,N'-Diacetylhydrazine 3600.23 2742.38 999.71 1042.43 4979.67 4963.79 2560.61 3737.87 3772.97 4379.48 2701.54 5234.24 3768.59 3456.16 3883.45 4292.77 1503.27 4736.12 4117.73 4859.47 1011.33 750.52 1133.34 1461.64 724.65 998.92 929.1 1107.3 1517.9 1009.63 746.97 2305.38 659.23 625.4 1053.31 1614.12 673.77 804.69 1470.26 832.39 4005.38 4688.34 1454.86 1973.5 6166.24 3044.08 4371.78 4374.97 2115.97 6805.6 1148.87 4508.72 2121.32 771.22 1347.12 1506.28 1064.88 1104.9 2712.34 2495.58 1926.69 634.4 980.67 773.98 2217.84 2796.15 4213.45 1694.13 3367.25 2848.46 1134.37 3349.63 1925.19 2320.9 1355.04 1806.56 1696.59 1722.62 1820.18 1722.66 1859.21 1865.88 1820.9 1691.98 7-Epi-cylindrospermopsin 4933.19 149.08 5373.66 3617.17 359.64 65184.79 2107.13 112.75 134.94 101.25 227.8 113.77 2181.6 41.93 143.07 109.91 222.23 583.96 155.07 4838.39 77.29 72797.59 94.95 914.94 5633.83 14544.78 624.89 1810.19 328.58 40.8 93.11 169.79 118.95 9637.34 527.89 5419.24 2871.91 31216.39 53.2 570.89 235.85 153.23 138.66 166.61 1138.85 170.95 119.64 911.02 2730.05 347.36 617.76 1940.6 431.82 395.48 62.73 1995.13 20255.72 25507.54 2978.83 77997.37 368.2 1436.03 121.47 493.89 306.44 4919.89 72.9 125.43 4796.63 411.75 2096.49 12104.47 413.89 895.2 2229.36 8261.93 8355.14 8338.35 8337.4 8316.89 8212.08 8254.37 8231.84 8340.03 10-Hydroxydecanoic acid 4424.06 3708.62 5964.91 11631.15 8783.99 2180.6 17487.83 8585 6270.56 10370.42 18913.98 22356.2 21023.41 10397.5 3046.49 20761.51 14391.19 2992.86 19163.7 11385.98 6750.96 1699.04 11281.48 8087.71 3265.72 2775.38 5957.56 8371.86 2590.59 9587.74 2492.45 14693.91 2601.36 10251.35 6952.97 2036.18 4574.51 816.61 8911 4670.45 12099.41 13419.35 12589.61 14715.42 4654.93 18393.53 4338.97 14113.41 8911.07 18501.81 2482.84 3203.98 12502.91 24184.38 2830.2 2329.2 6738.05 5301.92 2476.01 2656.67 10038.13 9552.91 2343.93 15284.8 13617.76 5446.25 8452.75 14290.42 11530.03 5045.19 4820.65 15205.34 12564.69 16086.77 23359.29 11795.29 11825.88 11776.76 11320.68 11149.22 11797.38 11799.27 11652.71 11823.73 3-(5,8-Dimethoxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid 177.36 223.89 2318.42 15055.67 9394.5 6297.66 19341.95 353.88 167.56 1075.38 1781.94 1137.69 10633.33 286.84 1282.09 6029.96 8300.6 497.83 1737.5 3697.5 185.14 167.75 1145.53 841.77 986.07 171.54 2391.32 710.48 1364.78 260.42 903.06 372.65 219.44 3702.21 4580.16 1154.44 346.45 182.26 1146.6 1644.49 464.33 199.23 1345.16 747.62 166.43 10288.83 314.26 877.66 2214.01 1958.83 3376.44 1213.27 1534.09 4341.97 2692.02 921.43 1372.37 939.62 222.37 2088.07 1284 4824.35 1211.25 2846.36 238.6 1192.27 910.12 13527.76 1698.28 644.31 497.35 1996.61 1094.58 7486.7 6901.45 3917.47 4141.15 3977.46 3380.23 4336.16 4168.36 4022.75 3904.79 3960.05 Glycerophosphoric acid 1143.41 1839.87 1020.85 586.08 1694.23 4563.87 2202.29 1298.04 1371.09 518.73 1185.06 970.12 831.03 765.67 1908.66 807.18 2354.05 1690.02 6747.63 3584.36 2490.42 187303.07 792.51 1040.41 1336.77 1431.71 1247.9 953.96 1888.75 803.83 2669.44 768.21 1561.75 1960.57 1122.63 1249.41 1598.07 4476.02 1362.33 1125.05 1370.38 1015.84 839.55 916.49 1241.48 1042.99 1487.92 1319.98 875.59 770.38 2010.29 1662.11 997.17 1042.78 936.35 1400.35 4533.13 637.89 1002.9 2339.96 3222.97 546.45 1747.28 706.92 1314.17 1013.89 3070.43 3436.83 2786.3 1213.37 1689.45 6409.94 1271.81 1073.56 1375.7 3359.51 3365.3 3307.69 3233.66 3381.42 3282.07 3160.51 3462.35 3321.25 N2-(1-Carboxyethyl)-L-arginine 22090.19 14279.88 18513.94 15230.69 19048.24 17597.8 12885.03 27686.38 21256.47 28761.82 24171.82 23732.03 14587.39 15900.62 19337.14 18221.12 18210.11 34021.57 21847.19 11833.14 10965.47 10463.68 20433.67 12880.6 18681.52 14879.99 18659.51 18063.48 19560.6 27685.06 8656.81 10078.86 19060.35 15182.86 19298.61 19650.25 15735.79 6070.51 22114.18 18502.53 18959.97 18243.11 22983.52 19913.09 20980.87 15446.17 23616.19 27209.06 23200.85 14792.75 15433.33 15422.7 25859.94 17762.44 17946.82 13496.15 12453.79 22735.8 21405.31 18973.89 20597.72 22756.02 24380.78 21012.39 23012 19252.83 10326.41 24892.41 18352.66 17846.93 27988.44 24381.06 34282.88 31265.91 27479.99 26975.83 26768.49 26417.07 27176.94 26646.35 27470.66 26429.23 23702.57 26801.82 N-[(1S,5S,6R)-5-Hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2E,4E,6R-trimethyl,2,4-decadienamide 4408.94 3413.67 2150.29 3465.14 8237.63 4342.03 6648.95 5698.95 1801.35 7655.93 7488.82 8879.52 3634.86 5419.18 2166.59 1538.82 4423.49 3371.45 2765.48 2612.85 6418.29 2053.98 3849.46 4312.85 3455.65 3761.76 3077.34 2609.31 3815.51 1910.81 821.29 3796.56 1594.06 3939.92 5511.58 5016.02 4897.11 871.69 5441.66 2267.8 3269.08 2943.72 5345.32 6179.67 3132.75 3188.72 2343.53 1852.37 3377.05 4444.6 1513.53 2085.91 13546.26 6351.98 4220.69 1697.45 4016.6 4130.15 2260.8 1185.65 5891.09 6175.56 2670.84 7513.52 2912.9 1567.75 1583.39 8068.94 6026.17 2301.21 1793.65 3984.26 5915.11 6507.56 6959.86 6031.1 5371.47 5673.44 5561.02 5279.51 5321.65 5385.16 5579.76 4997.09 (Z)-Syringin 33254.07 28502.07 3433.66 9740.03 51163.4 10259.35 11867.36 45923.03 17213.48 32282.14 18648.35 76529.36 54305.15 40337.74 65394.98 25624.05 13386.35 121032.5 40060.29 35767.04 28742.7 1127.82 2878.49 7362.94 26595.91 10319.54 10381.12 24478.73 64485.42 33863.5 25022.36 12674.73 2865.21 4171.98 623.53 36549.3 29046.57 6652.48 15191.35 15810.99 103893.31 72187.8 22016.08 36520.91 55369.69 46275.28 44229.67 24376.21 7000.99 43303.82 33132.36 35687.75 31628.37 44823.77 49636.84 54905.29 6631.3 9109.43 31967.26 2711.46 15683.83 64010.63 28012.36 24566.15 46368.07 86151.55 62177.07 62593.57 32103.86 19791.8 25997.31 37471.07 27254.27 22113.45 14280.4 38511.24 39580.9 39652.47 39872.52 39873.24 39875.93 39926.81 39810.11 39705.48 Retreversine 12429.26 1475.39 1010.38 1871.25 9255.12 526.48 2623.01 10398.07 14016.6 619.26 538.22 11176.55 4873.56 1904.6 27125.5 5223.02 1479.02 12227.35 724.75 341.1 6643.24 1589.94 581.77 2282.38 12177.66 1808.26 1870.59 566.93 15116.89 21637.59 4327.96 2556.41 2263.34 339.22 341.18 3271.46 5319.37 1410.28 495.48 2282.5 5507.77 4677.03 397.13 588.24 3766.61 983.4 7880.19 3988.84 3674.03 12240.27 4864.49 3715.42 341.82 742.91 3547.16 592.46 907.64 587.85 6674.69 4515.3 2085.24 2038.4 1370.61 3175.25 1253.03 4035.89 3087.95 600.53 4980.24 7410.94 6347.56 4952.97 5446.44 931.23 622.49 6781.28 5547.67 2294.61 5424.63 5200.72 5581.03 5137.39 5108.73 5601.94 2-[(4-{[([1,1'-Biphenyl]-4-yl)methyl]amino}-6-chloropyrimidin-2-yl)sulfanyl]octanoic acid 2829.59 461.03 302.32 749.97 1087.91 299.1 515.87 4562.94 2981.12 1496.87 742.34 2589.49 357.75 549.82 4687.21 1624.77 927.09 1874.64 1769.79 1154.93 454.51 598.44 422.01 447.69 1844.14 479.93 471.15 477.81 1574.81 232.2 357.6 436.96 2236.39 356.33 381.74 2570.64 1338.95 538.98 238.05 413.77 799.33 1907.44 676.92 658.61 1809.61 668.38 4883.67 1245.77 674.37 1276.04 419.88 903.99 228 484.83 1644.84 2351.31 336.23 663.53 1828.93 731.6 984.02 381.61 1506.72 1004.2 3164.65 1798.78 680.5 297.91 314.03 4622.94 2210.01 1295.09 2067.35 592.61 664.36 1720.91 1814.1 1655.6 1950.83 1981.26 1684.68 1937.59 1952.79 1953.55 [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-(4-propan-2-yloxyphenyl)methanone 41270.82 35954.72 58217.78 34677.57 43305.33 18138.53 42104.1 50157.28 53328.66 60459.68 111791.81 116934.71 77271.16 87339.63 52784.02 111863.47 98957 45989.12 107130.6 39171.35 45843.07 20212.34 78625.47 66933.61 39587.2 28199.08 52214.86 73086.54 31117.23 65519.7 27430.81 77702.41 34320.11 60614.53 63451.62 28939.92 44915.23 11348.19 82697.4 52800.77 37374.65 53600.3 102277.44 81657.81 44901.23 54619.36 42263.55 88046.78 64805.15 95579.99 38815.01 45323.07 87435.31 82192.69 46501.34 40779.93 55777.13 54284.93 56336.66 18324.56 92742.28 88774.74 47369.14 107453.13 99541.43 52159.53 51170.65 109896.07 102823.53 50169.45 45572.16 78327.57 92532.65 99690.94 91958.99 61871.66 62149.99 62011.68 62057.02 61871.86 61873.27 63378.75 62151.56 61874.72 C12 NBD-Ceramide 3785.72 9577.28 7594.95 11555.42 1173.05 1042.83 11359.03 6678.27 493.33 9153.77 12403.1 8286.21 13598.6 10200.56 5513.91 14351.03 13033.7 2626.17 21797.42 4294.58 1980.69 518.41 12210.66 8307.17 7885.63 2912.87 9294.69 11165.72 2967.33 6943.36 1167.1 10302.89 3564.28 3803.42 7330.59 3299.34 6335.59 1134.21 11876.69 6948.79 2469.9 3191.14 16060.55 12910.61 881.71 12436.71 6807.6 20592.88 14003.28 17634.46 4995.57 8883.91 8979.51 13726.31 6876.57 8871.56 5352.62 6839.25 4090.73 2843.63 11679.42 14079.08 7755.69 15022.11 20138.52 4386.47 5408.25 15146.35 12757.42 7844.4 2050.61 13129.72 15634.79 19741.59 17574.88 10459.86 10026.18 8005.19 10424.33 10371.63 10225.7 10063.94 10346.12 10574.54 RCS-4 N-(5-carboxypentyl) metabolite 1664.18 3713.55 3868 8374 6551.44 6656.4 6044.33 1765.54 7999.45 2433.06 3010.24 4467.37 1991.21 2970.25 11095.7 7953.78 4796.92 6284.61 1182.91 2400.28 2314.74 588.26 1279.51 1697.19 3122.34 1338.62 2088.35 1198.57 1487.08 1004.48 569.52 1368.65 2211.73 2498.53 2193.24 749.07 4118.15 438.83 2734.44 1694.73 5364.84 2047.73 5237.23 4830.2 1481.64 2509.37 9949.63 2010.21 975.47 5361.93 663.18 4924.88 4100.25 4193.41 5115.83 6881.08 6965.09 4432.17 4730.65 4501.21 7671.14 3397.95 10056.53 10532.35 8664.94 5924.8 9968.45 2902.93 3750.01 6534.09 3592.59 2149.35 5365.6 11897.83 7708.06 6032.87 6084.49 5584.87 3934.48 5880.27 5622.89 5647.04 5959.5 6855.7 (9Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide 8414.69 8180.4 11722.06 13700.73 5976.76 2717.41 6189.86 9992.58 10666.32 17628.21 18724.9 13572.38 14499.23 12997.38 6508.75 9688.09 15389.9 4699.13 13111.43 8643.61 11702.95 9677.3 16755.51 15060.16 9268.18 5784.97 8403.99 11340.85 14738.45 20155.95 11416.97 14155.57 8970.82 14784.63 17568.62 10240.91 7833.64 2939.48 10336.17 9740.44 9539.86 10962.69 14316.03 19767.28 6370.93 10448.81 11813.02 10726.86 13941.36 12511.02 14084.54 11060.98 15729.9 27132.98 9811.64 7540.44 10408.92 9991.11 9967.02 3763.86 18611.12 12976.91 8169.42 17996.22 17465.87 9103.09 10245.46 22550.44 14774.31 9392.48 7606.09 13902.04 10673.07 16029.45 18489.14 10942.47 10834.87 10892.48 10830.83 10919.85 11066.18 10665.99 10944.48 10945.47 Flubendiamide 113614.38 68856.96 17784.37 11300.38 42072.9 40634.98 18936.98 34580.07 23975.68 59930.28 52809.06 50021.37 22175.47 45943.87 47531.41 44496.8 39431.29 45538.01 40201.11 79890.93 16800.31 22561.58 37912.85 39527.25 80668.73 42625.71 32241.01 48949.48 37612.99 14862.34 26174.2 18154.86 78028.5 24344.24 21589.27 55425.42 68132.92 9457.41 51668.02 38079.3 49741.79 100410.85 51616.91 46122.97 72403.85 21944.18 39032.15 74340.23 93150.74 99913.08 98609.81 135247 58169.34 40635.23 44260.51 83479.65 18882.49 16782.66 75878.18 40493.6 53290.28 56257.67 124787.26 21857.12 33990.71 71704.68 69641.51 24997.98 29855.19 30115.15 84319.99 35116.34 40475.71 34360.94 34158.46 43980.28 43486.44 43711 43480.75 42069.95 43486.13 43557.77 44630.15 43573.13 N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide 31208.92 42154.49 9563.7 25466.32 15933.78 9563.9 18555.49 4164.21 3381.43 32246.16 21798.99 20600.75 24445.98 15073.96 70165.42 13465.29 29200.28 72007.27 22154.26 17817.63 12964.65 6767.23 620.32 2204.46 1755.02 1215.59 2929.15 3381.03 1950.45 512.17 42703.61 6610.62 3267.87 8109.15 6161.99 13887.71 4142.36 14385.16 2662.09 10151.71 112248.42 17130.57 15188.98 14417.56 209212.05 5200.79 984.2 13165.62 15642.54 14687.55 10084.21 24220.58 13245.5 17653.99 8635.11 12810.67 11356.03 5495.8 5910.7 9626.95 11990.69 8909.58 13495.74 11116.32 11307.85 6778.29 6102.76 6200.74 9656.74 10688.62 13308.95 33758.19 13192.71 11654.36 12471.32 12475.07 11027.97 10896.05 11555.22 11515.55 11759.71 10852.81 11842.51 8088.36 Amylotetraose 9550.15 1721.99 112.03 1256.98 3417.31 64627.49 11372.96 509.61 534.87 5744.45 120.21 265.17 209.63 550.25 2431.8 215.16 8972.18 896.39 6770.94 6834.81 3744.95 19007.48 2206.97 110.29 186.36 16957.79 111.79 2693.17 4939.12 3132.85 3676.55 199.86 3793.67 1678.19 1560.21 259.88 444.12 11810.36 520.38 2031.53 443.67 13368.08 239.55 387.97 413.32 3860.55 6005.35 129.46 3798.49 471.98 9238.71 776.05 2204.93 233.5 8397.46 228.91 134.64 322.28 5103.29 20185.22 1951.66 977.04 957.17 495.43 3263.42 6733.41 3314.84 3540.18 3732.85 378.92 167.01 9388.77 333.63 2041.89 125.43 11551.1 11800.35 11451.84 11403.96 11371.19 11500.7 11419.93 11419.56 11421.52 5-Nitro-2-(3-phenylpropylamino)benzoic acid 10291.58 15404.36 9122.49 17094.72 18719.23 24051.31 21409.79 12563.9 11238.62 11294.37 10590.02 16929.32 25364.02 9179.79 25149.77 19501.93 21756.33 12419.73 30326.94 20697.71 10142.95 6138.87 8647.6 10467.21 8302.92 6682.86 7481.18 8689.79 20051.37 3232.62 4930.29 8613.32 11367.86 8052.82 8441.73 8845.95 8162.72 3765.19 11057.16 7349.43 13237.63 8885.48 12014.69 13244 18031.44 15757.11 20297.29 14380.43 11035.18 19623.26 7760.8 17390.32 11182.85 14574.27 11918.21 20900.54 7688.39 9737.41 18668.29 15523.18 12744.62 11180.72 14375.13 17143.36 13600.3 14169.98 25500.01 12790.84 12807 13287.38 15388.02 17762.5 14176.22 18638.7 16350.84 18409.61 18680.01 18200.56 18498.9 18762.38 19012.58 18755.73 18483.68 18771.71 3,5-Dinitrocatechol 771.29 239.35 10194.94 5235.39 5496.78 46548.77 41678.31 4723.7 7912.68 72220.24 2511.62 8848 4489.82 5403.61 5527.75 8129.63 4881.33 9771.89 7669.95 12696.5 358.35 1442.13 18605.21 13292.62 6230.49 8747.65 9225.31 7129.16 366.41 5792.96 1742.4 8547.84 7029.69 4591.17 11144.78 5484.83 421.25 5991.78 34367.12 7905.34 1756.79 10407.58 2011.57 1349.12 8832.45 5454.74 6680.3 222.89 7941.22 7051.93 9247.37 2048.67 11609.06 976.83 1258.07 740.64 19340.04 25369.1 703.49 43125.79 31442.72 28848.01 1088.69 390.61 2444.48 5933.43 6374.54 5492.96 6358.15 3643.61 4405.3 34494.82 4008.43 3705.31 5399.22 16510.38 17111.3 16966.2 16786.49 16493.6 16803.5 16149.35 16476.07 16553.98 Arachidonoyl-1-thioglycerol 9967.87 18489.56 6706.38 13681.69 50231.65 12990.58 66669.81 14554.6 9449.31 14804.65 9142.42 23336.48 10954.63 59245.28 22355.34 23430.86 11742.13 22298.33 30267.84 42473.08 3282.49 5734.25 2818.28 3295.52 518.33 3470.58 2833.91 620.93 1200.36 6002.86 15454.56 6008.84 1021.62 334.5 2396.52 2359.23 2185.28 1375.32 1415.95 4104.88 19605.18 57027.58 5717.08 5564.61 74213.82 13977.22 48244.37 18916.22 6567.45 54549.58 15459.81 10006.62 6606.17 8270.65 4807.15 12632.07 2424.6 2466.2 1486.2 15182.51 397.22 1246.47 4657.16 7049.17 1149.58 2856.78 5775.46 1144.09 7295.62 3802.69 24327.36 1109.37 12065.38 2786.75 16442.68 11450.33 13638.3 11489.95 13172.31 13047.73 11717.66 12318.53 13199.29 13132.9 Gln-Asp-Leu-Glu 14424.37 4862.24 3350.65 3645.98 10513.07 3378.48 8424.12 12207.42 8011.46 8840.91 11062.06 7397.3 5475.05 11013.84 10443.48 13151.83 1248.03 8652.03 10324.97 14303.21 6871.24 6836.33 4267.58 3237.97 4464.54 2547.13 625.5 5211.32 4887.91 2499.42 2505.99 8911.17 3051.74 4567.78 4099.47 3066.03 4246.95 2171.75 6675.55 871.78 7039.72 7989.72 3759.88 5516.73 38028.38 14567.74 4847.75 1759.96 19315.03 11645.25 17753.63 6347.35 4685.08 6915.38 6839.21 3615.11 786.3 2835.22 2915.44 7392.67 5104.84 6087.57 12457.44 9167.57 2601.57 12084.45 9710.28 5615.43 2005.6 7429.83 836.9 3537.95 5179.16 4018.85 10120.76 8413.78 8529.23 8518.83 8630.47 8660.17 9019.19 9213.64 5174.74 8558.05 6-Amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoic acid 8337.66 10918.95 3087.03 5013.1 2006.78 707.32 3295.98 13970.93 7490.57 3253.48 3307.63 10221.08 7754.32 21661.2 15807.73 4649.69 1191.77 6880.44 20282.28 1566.73 8619.52 4686.92 4613.18 719.56 6084.99 15132.5 1622.68 3255.86 22400.73 6864.78 16355.47 2404.77 1196.18 1921.24 1453.72 5949.62 12658.44 3498.7 4254.71 11215.93 4804.13 13109.75 5661.16 5520.42 13484.42 3543.55 7550.63 9749.11 1524.43 16341.33 11049.54 12054.65 4172.16 6502.49 14961.29 1234.53 2432.01 2377.21 11366.77 682.07 4239.5 4132.44 2371.66 479.93 1063.36 10784.54 19645.17 7508 1697.25 17899.2 8462.54 14730.31 6297.74 2586.38 5588.98 6596.74 6610.11 6311.03 6367.26 6364.54 6620.36 5778.22 6363.77 6594.5 1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone 1294.71 945.83 956.36 1133.52 3265.71 1934.72 1689.88 3071.15 5245.21 879.33 1361.95 2661.04 1562.54 877.73 1912.98 1878.94 432.22 1228.91 3190.12 6384.98 2285.17 1104.5 520.77 312.1 1448.82 804.6 640.46 671.55 556.05 1824.61 1592.7 2307.93 660.52 1063.07 757.18 708.51 1917.89 379.36 303.23 688.12 4058.26 4056.17 426.64 346.38 4940.07 1037.3 3659.13 1491.84 1155.6 747.34 1210.11 1308.7 1111.92 1569.65 1130.26 1023.7 533.44 634.62 1586.23 1348.14 353.56 648.12 1875.23 268.78 612.69 793.83 2596.21 1143.42 475.68 2345.53 2593.44 1413.3 792.49 847.28 810.92 2428.44 2456.09 2701.91 2531.06 2409.09 2424.14 2276.88 2811.86 2534.98 2,4-Dinitrophenol 497.6 579.2 847.4 17902.88 9062.45 6772.23 16110.77 1403.71 986.46 1525.23 250.19 212.98 19103.4 1090.92 1078.78 3020.96 4038.62 246.72 1986.54 273.36 568.57 1504.26 731.54 566.11 498.09 3051.66 236.59 534.45 539.37 1057.07 545.25 944.01 718.27 4598.24 2836.09 558.66 545.36 1244.07 335.32 462.12 327.05 894.34 714.69 1110.67 1022.1 13468.82 1532.49 898.67 2055.29 742.86 770.29 509.1 1933.59 4667.15 734.17 480.38 693.49 475.04 177.31 5941.49 1595.05 6777.6 279.99 983.21 1475.36 908.9 1197.73 2862.81 1112.29 1269.23 1016.81 2440.18 954.81 8619.4 4264.06 3082.69 3203.3 3077.76 3080.11 2280.46 3074.12 2966.54 2958.15 3039.42 N'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide 24380.74 8372.03 2304.43 1327.07 15191.09 13719.07 1307.18 40516.1 37126.8 19513.8 20432.77 19445.32 5137.69 8201.41 33394.35 44994.19 17995.14 33115.21 21206.84 81445.84 25012.93 3971.27 7910.87 3419.58 17351.05 15944.34 2464.14 8048.49 15702.32 24242.69 27197.86 85889.07 17435.15 4022.97 5056.89 16243.02 21487.38 2476.82 10661.1 1362.2 38367.37 27964.6 20178.38 8274.13 54220.21 9099.53 27604.66 2465.02 13455.3 35367.91 17427.44 21203.83 11067.54 6098.65 15037.39 10867.12 668.85 528.55 42146.12 7489.61 5862.07 6337.07 16866.31 21077.61 20661.45 35441.61 38134.24 27019.77 30853.79 38834.55 27375.77 29448.57 24801.11 8506.2 13469.31 22361.74 22643.19 22683.87 22389.92 22906.78 22905.37 22442.05 20514.68 22915.24 Glu-Gln-Phe-Arg 8412.1 8462.74 2103.53 2543.57 12104.27 4548.7 4122.45 5595.29 4785.59 8660.07 4991.01 7506.6 2785.56 2465.02 7537.37 6342.5 2465.15 20183.59 14424.88 5671.68 8427.04 16141.82 2147.33 2171.18 1717.19 7274.45 559.69 2895.36 5694.59 2572.97 898.63 26648.73 2668.79 2466.91 1068 7675.59 8595.64 4037.74 3183.6 2431.84 2131.82 5879.21 1896.03 1123.15 16457.09 2117.49 2806.94 1371.74 1358.38 7769.63 5868.4 16288.39 1789.27 1673.43 7723.49 8021.34 2282.86 2347.4 17231.31 13085.36 2154.94 2738.53 19416.58 6641.23 3334.19 7544.51 3379.51 3726.25 3848.6 7735.75 4862.89 4713.29 4557.08 2014.12 2888.49 3923.77 4108.28 3988.46 4168.77 4150.97 4393.85 3814.64 3685.44 3868.45 2-Hydroxydesipramine 22217.87 19241.37 17913.39 59465.66 118851.68 72148.88 94404.49 33314.18 27607.79 27601.15 24967.39 34365.31 100985.7 10460.53 38143.75 103027.02 36008.5 17136.34 35202 41211.63 25026.48 34992.11 20227.01 12772.8 16465.51 18174.33 17395.21 4476.87 29124.25 23259.92 11020.94 30753.27 22866.59 22092.35 20865.37 15957.99 18569.7 10273.17 18534.91 13681.92 38165.21 29606.68 26906.09 20608.99 31839.97 72334.95 32039.14 21419.42 40030.1 60014.89 26363.85 22992.44 23041.53 53978.85 36832.6 31031.03 22049.23 16594.85 31564.58 95720.07 25255.76 32193.78 32142.13 16253.9 5688.8 30988.29 29495.39 28520.55 25456.62 25312.82 23921.58 32831.72 25390.84 41317.17 71333.11 37097.94 37250.02 37279.6 36223.62 37367.67 37424.44 37329.51 37094.48 37376.63 Tyr-Phe 13268.98 8779.72 1528.05 841.97 7645.43 2605.61 849.34 16941.58 26061.65 7986.14 1269.7 589.8 3211.47 402.12 45880.24 15165.65 3646.93 36775.38 4447.99 76974.21 14138.61 1672 1948.76 1596.82 18476.39 20839.03 2460.76 1692.74 24185.88 5476.72 78332.85 5296.76 41806.28 2418.95 1529.41 10927.65 16334.68 835.57 3042.27 8688.49 15692.37 14033.48 2259.62 1730.29 45431.11 4104.73 43994.82 3529.08 1077.59 29118.59 6024.94 1713.31 2237.67 1602.48 14130.73 25174.31 1653.36 1462.15 26295.46 1760.1 1056.82 394.96 19821.54 1416.57 40355.42 9775.21 25532.96 18221.76 11436.26 37332.09 62057.96 14343.35 16246.6 1238.82 7960.79 1356.31 2191.03 2973.52 5840.25 4805.32 1685.8 859.18 941.28 1357.66 5410.5 2074.95 882.7 1130.42 1454.99 1874.85 1497.84 5585.54 1446.15 2548.48 1543.63 6429.66 5229.76 2088.82 1456.56 16581.24 14612.28 14845.03 16788.1 17410.27 17594.04 17275.27 16767.41 16622.89 4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole 2318.66 1751.19 1852.72 943.37 3404.58 932.21 1409.73 6165.41 13046.63 3098.69 1968.28 4816.79 737.98 1989.91 3265.82 1312.68 2086.58 5727.17 7308.89 2489.59 4786.71 1499.92 1381.94 1050.76 2491.09 3334.73 1838.07 3387.71 894.32 764.06 1574.19 614.95 2396.53 1459.42 1399.99 5304.26 9745.96 1199.37 666.14 2755.38 1407.18 2478.05 572.14 2714.09 4194.64 346.49 3096.68 914.02 643.14 3994.5 1813.97 1654.85 2699.06 973.26 592.45 4012.13 1330.72 1412.77 1155.01 497.21 1048.2 593.3 2902.1 2386.56 2182.92 4429.77 4537.06 10539.6 12442.26 4261.37 5373.57 1598.46 3257.11 2427.68 2300.97 2856.57 2498.68 3482.68 3361.46 3367.17 2840.92 3385.01 3763.34 3179.19 Clozapine N-oxide 14776.57 15321.78 37550.8 26919.82 10106.92 22544.77 29212.89 16376.92 24029.75 37476.97 66789.71 58427.08 40563.41 49445.54 11352.36 48345.4 43213.86 13604.79 54654.68 2685.58 19924.41 1834.89 60894.91 41114.97 18853.84 24635.65 41820.99 58626.93 14386.49 25002.44 14382.26 33296.5 19117.2 34989.75 41386.12 18688.32 13224.46 5963.29 60138.48 39927.1 15184.82 5961.9 68447.18 59063.96 21481.92 29857.6 17215.55 62315.19 39267.36 44695.64 13354.97 14323.74 62870.46 55962.6 13800.09 19431.24 32523.84 34292.62 20173.26 20360.61 52892.38 33400.27 16619.95 44429.7 44727.9 16422.06 12291.66 64936.11 56766.92 4219.3 16663.42 46252.09 51867.61 39028.48 47212.85 28280.35 28626.43 27683.79 28290.93 28779.6 28292.76 28641.11 28272.94 28285.31 Gemcitabine 5'-diphosphate 8972.55 6245.08 6364.37 6061.1 7726.69 15586.63 9077.72 469.86 3466.89 8660.24 12344.09 7283.79 6780.08 14386.57 2543.66 8392.96 9756.11 1101.32 14433.79 5716.59 4575.81 12908.93 12791.31 13055.32 10822.8 3493.01 7028.9 8663.31 2066.82 6896.49 3476.18 13113.88 4489.33 9856.08 14563.07 4225.66 6330.16 3276.79 16379.64 10374.22 27504.75 15114.67 15659.09 17985.16 9909.44 12530.7 1898.62 8983.21 10555.47 11778.07 9124.48 6496.14 17521.83 21970.2 18932.44 8971.6 10345.32 9335 6596.27 22770.97 11024.9 16464.15 7811.16 9829.05 2084.74 8256.46 3570.75 12907.93 4296.9 1124.12 3998.69 15500.68 13281.07 17687.15 13774.52 11719.66 11575.29 10951.57 11629.84 11534.02 11712.49 11916.55 11935.59 11525.13 PI-103 24522.4 10175.25 22854.32 34679.36 25460.56 8859.46 27483.41 64016.2 32526.49 22893.53 78891.78 88048.87 80998.21 58674.05 18425.03 83541.67 94694.55 19265.67 70125.36 29102.4 13557.07 9563.58 32565.95 38051.78 27240.59 6201.99 24547.97 45968.46 7325 30919.1 36913.58 52952.96 16232.71 27583.12 28728.1 9940.35 25762.22 2317.29 80637.47 23696.59 32020.17 21868.01 38857.4 56543.89 28264.81 60281.01 14624.65 50542.7 39867.11 68732.47 30513.97 10422.94 42209.54 54694.74 29663.78 11352.65 26977.06 16013.37 22728.48 9405.42 59663.23 53398.64 16307.01 37392.9 38254.34 21643.63 22652.21 66968.84 72542.13 36545.36 19976.85 26072.13 48312.42 42735.14 90002.56 32259.17 22388.48 30099.92 28716.28 28728.91 28924 30205.78 30308.73 29522.95 Amebacilin 6333.41 6135.56 5099.44 3721.61 60969.86 28993.51 3038.63 18738.56 11321.45 21205.69 9328.53 28465.26 24156.82 23210.09 24182.2 35386.33 10159.36 45142.67 102314.3 9104.94 6131.75 14784.14 10887.8 9159.54 9146.46 2465.84 2022.94 3810.09 16312.78 1341.6 4241.32 23668.27 15096.35 8315.27 3295 19029.35 11702.69 1678.33 10615.84 2949.72 2223.35 20608.07 13718.16 15608.54 40744.85 11947.4 16147.28 21215.72 16764.57 16137.66 13307.85 18256.37 12923.35 5019.5 15600.05 15775.9 2671.81 4662.87 32031.48 2777.9 16471.61 14942.86 15088.68 24675.64 15117.23 17948.53 6634.07 9487.9 9537.35 17550 6891 21184.31 25854.84 6635.8 8620.7 23310.82 24171.1 22118.06 27839.85 23863.89 24573.98 24484.34 23052.73 23220.32 4-Dodecylbenzenesulfonic acid 9544.6 14117.67 9385.87 18637.81 19203.4 13820 15978.45 17974.41 17978.87 10885.86 13131.87 22084.17 23151.28 14811.22 17747.56 30834.25 17368.81 16821.77 27074.21 28470.75 14431.18 6511.16 6217.13 15616.84 13114.78 8953.56 6232.7 7866.52 13042.13 14968.87 13594.85 15997.88 6052.81 6234.33 10264.5 9168.65 9200.53 1101.89 6605.18 7635.67 19396.61 14998.74 13636.21 16260.34 17801.35 10579.07 18322.09 14756.58 6645.52 38627.16 5689.12 11868.21 13347.76 15922.5 16387.08 14913.38 9574.25 16641.14 16182.54 14263.05 14577.22 7368.57 13264.65 13434.52 15159.52 17088.95 25678.34 16244.01 20097.8 20237.62 11754.22 15140.28 12617.9 20216.53 16899.25 15716.93 15490.38 15382.28 15543.67 15540.87 15382.51 15384.36 15547.31 15347.14 5'-O-Desmethyl omeprazole 694.44 7477.69 1947.1 1434.76 8825.07 8193.01 4366.04 3832.18 630.2 4433.29 1483.89 682.96 6786.65 3634.85 2663.66 2336.61 3196.66 1327.81 3561.76 2455.11 1023.62 269.28 3288.63 2177.4 1713.55 3963.44 2112.96 1174.92 1755.22 511.63 2003.43 2923.72 2652.44 2246.97 3251.66 2341.91 663.28 692.7 2725.94 1632.49 443.13 1684.13 5677 6223.89 1882.96 6566.88 1493.99 3118.39 2754.23 4838.08 1401.5 11502.75 5927.32 6851.66 4021.46 9851.92 2837.11 3513.24 4152.23 3220.91 1817.04 2480.47 941.43 7511.94 2332.56 3803.03 2902.32 5418.95 3191.23 3603.29 2307.02 5811.87 1163.38 6734.71 6048.5 5935.77 5738.34 6060.85 5761.44 5930.03 6059.63 6062.5 6072.71 6146.26 4-Fluoro-L-phenylalanine 20406.16 16901.5 3951.34 5773 40024.9 9565.28 7979.77 30532.82 20231.14 22029.47 9331.22 10757.51 14950.83 5843.86 36278.95 28719.67 9385.45 12780.96 26424.44 30736.63 24610.73 8360.99 10142.99 6531.3 16987.53 3976.67 3461.02 5147.81 19693.58 16268.65 4415.33 36242.45 13955.65 5986.84 8390.96 7874.17 19699 3236.84 8992.15 4297.11 33148.41 42218.4 7933.28 5344.35 18815.49 11061.67 12561.55 8514.58 17078.84 27844.75 24239.81 12400.92 7397.72 9546.97 39712.03 15119.64 2515.88 5298.49 26275.17 13801.16 6391.53 4694.38 19175.48 8950.56 8287.52 7854.43 30578.3 11714.97 14348.72 25186.07 20046.26 14737.15 10377.65 8578.14 12520.25 18900.22 16315.17 14996.2 19069.86 18661.52 24290.72 20855.02 18520.93 20182.28 Tetrahydroharmine 13976.08 23594.24 5380.68 18364.71 29567.3 8269.23 617.68 25934.58 16471.23 9702.1 10946.93 24400.48 35964.94 20667.55 55032.98 37599.84 21768.37 76939.51 43252.37 12462.75 18147.78 5857 4279.73 14203.59 16727.75 9517.82 8865.8 5834.15 21111.59 4120.99 22253.24 44355.94 4623.9 3349.63 7433.54 20294.85 16098.53 614.23 2172.76 10129.98 33553.23 41454.77 20008.95 20283.93 29010.53 17184.42 48708.28 22821.58 5016.31 40724.71 6321.16 12469.79 10394.66 18288.2 41444.41 41464.81 10486.45 16360.06 26058.15 13348.15 21240.16 6938.52 22078.77 16578.74 20715.26 41747.17 9746.51 19902.09 52991.56 29532.57 12539.79 25472.11 13689.47 22650.36 20000.81 24250.73 23979.98 24369.75 24264.16 24016.72 24049.74 24242.64 23986.84 24008.05 Dioleoylphosphatidic acid 6887.47 1579.23 19859.64 62677.8 37596.26 19555.64 47561.35 4674.9 7870.9 6704.97 26072.4 11161.62 64996.99 6816.52 12594.73 103373.11 21720.49 642.22 5405.86 3041.86 15764.48 11980.14 10372.78 13896.4 1027.9 590.45 10586.93 1750.7 556.72 9026.27 6497.01 13574.91 1210.43 15842.02 18448.6 1958.67 4337.55 4280.01 15693.08 13665.31 17310.12 9269.73 16290.86 14152.55 11148.47 55423.05 1383.66 2685.45 9226.16 76181.83 6381.23 1596.69 12397.02 49431.67 15796.92 9652.62 21404.85 8501.34 3743.5 9952.09 38061.44 26878.01 16271.96 18515.02 3092.41 27478.39 6649.54 6062.29 6000.65 7770.43 9525.55 6460.2 27831 26548.6 48396.89 32301.37 33897.06 31963.35 31974.25 32160.04 32396.1 32014.82 30309.49 32123.19 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine 491.04 270.3 804.1 3900.53 9963.34 10014.57 10002.66 647.15 115.52 722.39 223.87 454.53 1259.47 248.68 901.36 1414.01 562.88 1516.51 945.67 785.53 530.22 207.69 210.14 327.23 421.44 409.59 313.69 368.46 443.19 490.75 228.52 734.75 157.53 141.59 175.36 177.82 492.09 383.55 196.17 109.14 6607.59 3211.74 226.62 334.55 457.12 4344.62 1345.28 457.28 182.09 796.88 350.68 170.89 471.88 506.31 2112.41 296.65 162.54 469.85 1120.27 1652.54 195.89 215.13 1099 607.54 211.88 1983.46 367.2 598.88 185.43 308.49 324.72 160.26 364.89 778.43 645.93 2330.46 2409.04 2440.02 1757.66 2428.82 2547.37 2169.81 2422.88 2319.11 3-Methoxyanthranilate 4640.14 2195.94 4093.43 6918.11 2554.79 2474.25 6412.54 2578.94 6831.96 3973.92 3249.91 13941 9867.98 10670.32 1575.96 11386.96 5976.38 3213.26 6947 5362.96 696.48 4300.14 10252.15 8761.75 3587.82 14850.13 2117.01 11421.42 5714.74 9651.65 2361.97 9487.26 2706.43 11098.06 8272.94 4405.75 10575.73 1051.4 11025.2 4601.45 9053.63 4378.6 11385.26 11015.86 5662.53 8350.53 11558.08 6136.35 4872.3 17755.72 2631.89 4290.28 7354.53 11590.63 975.58 1297.25 8095.51 6249.75 3233.75 1386.09 9186.04 6273.34 3417.46 10635.59 8050.55 4929.29 5711.17 11607.7 12085.5 2511.22 1389.41 6670.22 11221.49 5191.2 14535.05 7680.72 8339.02 7882.51 8186.16 7974.14 8091.39 7506.86 7721.86 7653.76 His-Gln-Asn-Glu 1927.51 1084.1 814.28 1042.5 1730.67 1713.56 1167.02 1099.29 893.75 1135.33 421.93 1872.04 2278.95 1588.95 2794.04 1471.94 2517.76 707.63 3932.31 11327.91 1256.98 854.88 432.72 601.35 1023.4 361.57 1148.19 732.51 1566.49 277.45 1247.48 784.58 454.37 521.6 484.08 1089.04 1584.2 596.32 1121.79 440.91 3168.55 4471.45 1721.61 339.74 1415.04 452.41 3329.01 1038.79 1127.78 1475.97 640.21 2861.34 1666.38 1807.39 387.2 1717.48 1238.72 731.61 2039.38 1201.7 1323.24 1123.94 324.45 462.81 2369.69 1922.52 1579.11 421.85 357.7 1483.64 1469.11 1437.97 2833.94 3003.23 2599.49 2887.67 3114.23 3072.67 2198.13 2823.08 3595.39 3060.46 3132.32 2847.75 cis-4,10-13,16-Docosatetraenoic Acid methyl ester 12435.39 7518.73 6393.4 8895.39 6433.21 3137.15 882.51 10065.27 9471.51 7097.03 12507.43 11207.63 8788.83 13093.45 9067.76 7228.87 4749.75 9772.72 10782.75 9281.87 6966.3 5280.22 2452.05 6752.72 4843.83 3172.62 5263.48 4693.6 5841.4 10946.91 2880.05 7957.39 5248.53 4226.58 3533.41 5050.84 7905.48 2257.07 15650.33 8072.99 9033 5791.21 10490.97 10927.14 8033.3 8384.54 9871.41 2647.34 8887.62 6074.64 6369.16 7165.24 5588.24 8108.25 7564.99 4891 6820.78 6372.55 6293.99 5438.48 9992.74 9347.36 3361.67 12476.39 12142.7 6992.16 12169.14 12237.19 4973.6 2155.09 12994.76 18611.4 15314.84 13985.13 9654.52 6370.04 7841.25 7940.46 7588.66 7366.84 7349.38 7829.08 7073.18 7951.62 Glu-Asp-Thr-Glu 9972.89 13383.91 1786.97 12112.8 8725.8 10363.49 6056.32 5568.3 6820.62 4478.4 4476.14 9805.99 18575.6 25467.56 21372.04 9836.58 6884.96 26231.41 21465.87 41185.82 2760.05 1576.03 1137.92 737.64 652.32 1408.06 322.97 646.34 6062.06 1741.57 7919.09 27400.03 2903.03 943.62 1400.14 2030.18 2050.24 498.28 390.72 607.06 23078.27 28383.06 5018.83 4365.3 41625.78 27765.66 34149.52 5461.48 4563.97 117313.91 14140.61 38830.56 5485.92 9645.24 13288.4 26116.04 1975.64 1325.58 1674.99 4996.87 2340.98 1199.82 12072.53 4919.33 9396.11 18870.78 73544.56 6143.02 4925.95 5300.78 7488.8 3052.55 4899.97 13164.86 7458.47 178181.13 298969.67 349984.84 324093.6 282822.01 217346.13 376620.79 86804.86 213825.89 110853.19 246231.86 24698.68 222859.14 47118.36 108009.41 66837.44 129441.05 488801.59 185681.58 165920.88 1105422.28 390071.13 453529.38 518707.79 239620.53 28894.16 28881.39 24199.03 33610.74 31682.9 29692.92 32631.81 28848.01 29937.37 2-[(1-{3-[4-(Biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid 10125 5238.86 2210.61 1363.22 4923.32 5635.32 530.72 40714.28 12413.5 21599.16 6555.85 10782.01 2938.55 16578.57 48760.55 6723.85 2547.65 132970.43 87432.5 29713.51 15623.04 13990.89 5158.72 2125.87 14863.03 4410.34 613.65 3074.87 27754.27 3214.56 7847.81 37954.4 30708.32 4540.25 1904.76 40484.81 39522.98 284.97 2613.14 266.02 3791.6 23600 11470.89 7162.35 40367.73 5217.38 37012.02 15889.24 18945.55 22309.65 12654.18 21700.64 3666.02 4452.92 16743.87 25507.97 789.4 2816.98 62280.88 3934.87 2510.81 5477.52 18984.33 11451.72 19797.91 9048.84 9262.07 4680.5 3985.05 49305.33 8702.89 19469.52 26406.99 9071.47 2250.76 2426.96 2621.9 2365.38 2379.1 2682.37 2504.14 2763.17 2689.75 2545.9 2866.62 2277.31 2477.94 2695.49 2426.93 2539.08 2377.69 2822.89 2595.01 2540.86 2594.25 2523.01 2310.72 2544.68 2424.11 2799.67 27131.88 26851.06 27056.45 28581.35 27128.38 26957.56 27128.94 26393.72 27051.4 Apicidin 785.77 208.94 848.75 1262.97 18514.91 320.74 8088.83 919.96 487.43 932.51 1338.44 1653.07 6321.64 2250.79 1473.93 2299.65 1338.24 1181.99 374.68 450.72 278.72 1650.14 955.13 401.2 403.42 497.75 514.44 493.97 409.86 864.99 248.2 2568.55 158.13 1160.6 808.96 697.99 610.94 152.48 667.76 540.54 7529.04 1172.7 245.33 1179.9 884.57 1267.83 451.35 335.02 491.63 1310.71 1175.37 808.82 771.17 1717.44 332.71 796.15 549.39 144.17 1215.68 973.15 1813.17 2455.63 1017.66 975.12 2158.01 1654.74 570.46 849.23 1602.76 821.16 1143.45 599.57 411.5 506.76 1852.65 3215.07 3518.98 3773.93 3584.1 3240.48 4577.59 2628.63 3432.58 3275 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine 14230.78 15153.57 2161.37 21269.84 5314.41 18693.98 6354.34 7259 9536.57 10425.75 19678.58 6678.8 5401.4 8403.19 24848.84 6634.59 5087.47 14037.14 14652.31 10902.25 3622.5 5703.68 4967.88 4697.84 5003.61 13476.26 9428.52 3580.12 4904.13 3079.76 2867.02 6144 4245.94 6645.25 5457.15 3661.13 5006.2 3315.09 8591.65 3676.03 10619.39 4700.15 7866.56 9904.36 11843.22 2785.4 7223.34 4788.58 2581.3 7846.74 4882.94 12764.42 7176.51 5686.85 6333.04 12184.34 2687.15 6552 6229.38 9346.2 7315.04 11770.33 7066.88 2794.73 3177.31 6197.15 17025.25 6243.51 11121.83 7209.01 12416.89 28746.29 8149.56 7584.25 9990.88 8663.81 9005.3 8716.77 8784.83 8919.86 8703.9 8990.22 9493.7 8662.3 Glu-Phe-Asp-Glu 29042.3 20491.45 23993.04 66147.91 24374.35 13648.2 75371.25 41675.5 4161.23 10385.55 17196.52 25759.05 14866.3 18804.48 49839.17 35487.24 17745.53 67146.9 556.41 1816.31 4106.61 2714.28 10190.16 9902.7 4537.59 5525.86 4639.08 736.5 17902.87 5926.58 2572.26 1144.58 1326.24 1886.21 4283.14 2286.16 13122 2689.26 32386.74 12741.12 2141.98 1443.87 22585.61 12557.18 4185.36 64543.77 46569.54 29349.3 9562.56 2380.95 2605.61 38326.84 27284.16 31735.67 48643.39 26420.45 30408.83 27131.24 30057.49 19624.67 24768.13 92507.51 32527.3 51332.11 7065.74 58142.74 6098.52 15806.02 27681.17 50901.29 33653.25 17227.52 50558.71 58969.53 121137.63 32640.65 33291.77 33252.83 33542.51 32130.98 34124.09 32664.91 32908.15 33234.29 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate 25951.41 20303.94 21498.43 59011.64 310738.97 169681.16 364155.03 42129.2 16987.56 27968.33 32308.73 51287.49 276455.67 44881.45 23413.37 88203.18 37266.63 14414.92 52910.88 24741.11 40179.6 6198.76 27963.48 28484.12 9575.35 3883.34 10412.39 11089.44 5532.43 5772.93 2927.84 26325.51 2251.43 40510.9 16017.93 10942.18 11847.52 1425.54 36215.48 21786.96 23598 45777.52 37065.64 70245.78 36717.02 74643.57 14118.11 20461.43 36220.5 74192.81 21030.22 27378.48 14929.15 37852.83 39259.89 45504.17 22864.69 12980.84 8065.3 16234.9 61124.72 83450.36 28413.92 24925.88 11286.03 53522.69 29859.19 53796.77 40367.9 28247.25 20653.11 21951.11 29104.97 40312.79 75512.89 49883.44 50258.12 49483.71 49491.66 49876.65 49873.26 49485.31 49131.63 49782.99 Thromboxane B2-d4 16088.45 14497.57 8341.13 17335.54 13633.08 11391 7399.62 20447.32 21514.38 14901.46 21005.19 27768.67 27879.61 42362.07 20556.6 54334.27 10648.97 18069.58 23194.02 23764.88 14082.11 8062.91 12961.54 10673.05 11453.69 2870.28 7247.65 11419.86 17204.58 11670.22 15577.91 45047.32 4705.31 11568.7 14042.1 11767.31 12793.39 2326.93 13355.18 7311.09 18372.94 20783.88 14687.35 15439.92 24459.25 22492.73 13987.27 17147.86 12148.24 20010.83 15846.94 15353.47 15383.25 16895.49 14512.25 7432.06 6677.97 8580.85 18034.68 10753.82 13696.12 14514.96 14483.84 15065.67 35569.45 19555.96 19680.47 18584.64 26478.04 20257.03 15963.46 21995.52 19355.78 19702.85 18182.58 16876.6 16475.62 16346.21 16866.82 16283.24 14622.3 16854.46 16784.85 16834.31 MAM2201 N-(4-hydroxypentyl) Metabolite 7434.19 3961.05 912.89 1856.46 843.74 3151.9 1692.91 10123.31 9639.55 9365.39 5386.97 10903.47 6050.2 4978.83 4344.38 6229.87 5558.34 8634.57 6405.87 3092.9 5008.93 985.17 3290.34 2216.76 8247.17 5631.61 1564.6 4704.45 10671.85 4697.47 7537.15 6343.72 4390.26 1758.15 1503.79 9090.8 9204.51 894.41 3825.49 2758.17 10125.56 5167.3 1315.73 2409.85 2997.27 5254.82 17493.09 5938.48 10779.05 9645.82 4078.09 3040.38 1144.12 3238.06 9572.64 2377.23 316.54 447.78 10647.28 3183.98 1742.98 4947.96 4526.38 967.23 1530.61 8689.86 6225.36 8896.16 9744.69 8865.13 10442.11 6139.61 6837.43 1904.19 5254.45 8575.02 9402.57 7620.11 8567.66 8630.15 8793.51 8817.26 8520.99 8494.07 4-Hydroxy Triamterene 2561.99 1981.47 898.36 1299.38 2548.91 2795.58 706.36 2547.18 5427.87 686.12 1327.06 6875.48 374.4 1245.38 2096.28 722.97 1088.79 777.23 490.7 1074.19 3494.28 543.34 524.29 1131.8 1393 1559.52 710.04 932.51 2522.29 4062.31 4201.59 2241.93 1652.42 765.79 878.13 1956.08 1367.42 885.32 1182.84 566.22 3596.02 2259.09 458.92 1131.25 9344.09 986.79 2837.21 4452.31 2274.85 2018.49 781.25 2555.74 355.16 1074.03 1135.44 665.93 585.71 664 3649.04 745.9 1161.98 1484.46 2119.49 1082.73 1433.14 3405.05 8768.26 1110.43 485.31 1796.87 4440.63 561.25 1066.19 809.8 1305.5 1809.53 1548.32 1907.89 1922.12 1902.87 1853.87 1631.04 1681.69 1549.94 N-(2-phenylphenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide 5161.89 4534.4 525.24 939.67 9629.47 13523.22 1258.79 12511.1 13326.38 4119.74 600.36 11237.33 3747.01 4945.59 8760.51 3572.81 2399.94 5368.78 8538.39 17259.32 3541.27 2143.07 2314.51 1721.93 2509.83 4088.09 1175.06 1465.11 12694.62 248.89 1415.14 3860.5 2550.78 1272.79 695.4 4817.25 1654.06 1295.19 3534.16 2109.03 6167.48 4241.08 2401.19 1920.49 11144.2 2563.94 7447.86 4475.27 1815.51 1779.97 4168.56 7423.11 2797.67 2555.45 8733.88 8019.43 3665.58 1002.12 7471.32 2742.23 2437.59 4543.1 16888.52 2331.83 780.38 12285.63 6683.91 5347.96 3686.31 3825.16 6376.8 3201.13 1748.7 2055.24 1876.11 7883.66 7929.08 7662.66 7699.06 6979.64 7774.39 8141.43 7483.3 7894.64 (+)-Cloprostenol methyl amide 2544.2 1817.73 266.46 212.74 2676.63 1443.88 916.55 4474.79 3008.31 3872.04 1277.57 2459.34 457.64 652.98 1544.25 3408.61 1256.74 3023.17 1202.47 806.54 2200.75 293.65 1296.16 194.95 2616.98 1382.88 1123.27 1451.59 3602.09 367.44 2800.5 467.72 1558.17 311.59 756.71 4867.28 1618.95 425.37 1184.06 718.16 2150.03 4305.77 1013.33 553.34 1926.52 540.57 3292.65 2471.07 2578.63 1088.04 2678.61 2282.36 573.73 846.86 1936.3 1532.54 555.66 232.53 1973.19 845.59 643.12 797.02 1121.66 377.83 2887.8 4897.83 1805.2 3405.81 2423.7 3919.07 3666.48 3358.26 1540.03 851.22 909.44 5068.91 4256.87 3879.49 3966.98 4279.16 3859.95 4330.68 4060.22 3835.73 Thyrotropin alfa 26910.66 37147.01 3190.2 61657.79 46131.15 85088.14 47925.58 23558.05 17910.23 37686.43 14590.49 51938.27 150377.56 203774.8 92487.2 37752.13 88039.66 270000.82 88578.96 58038.17 6635.81 4879.85 670.97 8077.72 2664.05 2417.33 1760.45 1177.35 21768.61 6716.56 52444.56 56470.34 12862.75 1188.68 5177.58 3059.32 1520.81 7069.94 1160.01 552.22 165488.3 37561.6 13709.14 27830.48 151455.07 44422.34 39673.71 10477.18 5868.33 145752.2 11748.85 26654.81 15571.94 33516.57 27169.56 19322.42 6226.49 15931.02 8010.13 7340.89 15466.32 3827.88 19300.52 8815.95 27025.21 62227.23 142581.63 18346.04 39439.09 9235.08 10237.7 60798.94 9097.25 42536.77 20814.39 26319.89 27343.54 29340.71 26281.85 26410.04 26711.88 28668.08 25668.69 26654.61 PE-NMe(18:1(11Z)/20:3(5Z,8Z,11Z)) 3799.95 11686.86 32954.58 12439.4 12827.43 8437.27 3134.88 19249.08 20330.61 19422.17 3067.41 22770.37 29201.8 11353.93 18768.5 15037.53 21777.15 17106.38 40065.36 20405.75 4040.64 10857.28 13477.63 11444.7 15776.16 3942.18 4282.96 7400.39 4029.22 3711.12 2694.32 15221.81 3081.35 12367.01 19452.52 10040.75 11819.9 1799.65 13757.59 7603.22 2590.2 14839.64 27759.03 8485.17 16020.79 19860.26 13854.45 12092.27 26887.99 13074.14 15008.03 23272.28 14749.21 17405.55 9101.24 13018.18 19138.47 13838.41 13591.3 1548.15 35942.62 19660.57 18434.66 18042.26 23896.5 13788.7 12483.13 19605.58 11575.82 767.22 23376.57 28697 26031.13 15401.18 21042.46 1369.88 46277.29 5361.92 4723.83 35829.21 42312.93 30527.0 53862.43 37564.18 43424.72 51374.18 50614.91 66325.42 41987.3 65744.44 4614.82 57863.93 52938.68 91796.54 46730.96 39785.7 55218.51 68654.69 79282.37 91815.34 5045.91 15129.06 15684.66 14624.06 15653.74 15690.92 14586.1 18316.07 14437.54 beta-D-Galactosamine 2926.82 3182.49 4822.59 2202.28 2249.4 4317.58 1274.2 2270.5 2402.87 1767.86 4096.34 4182.4 676.66 883.56 5381.64 1591.91 2759.16 2469.46 5625.71 3216.15 1278.15 2462.26 729.69 1223.93 3312.83 1707.27 734.65 1654.92 2459.94 1627.29 1052.39 908.31 2897.4 4526.03 5099.58 888.79 5250.03 2216.54 2760.33 1648.88 2751.34 3833.49 3737.27 2728.86 2536.11 2209.3 2393.94 3580.78 2453.71 1019.59 2604.78 2933.84 2301.34 1258.92 2998.34 3934.56 5510.64 5389.97 1936.04 3157.98 3679.08 3657.92 5488.15 4080.96 3419.57 2133.12 3553.99 3189.57 1899.54 3141.67 1710.61 855.9 1319.04 4860.62 2507.82 2538.6 2557.63 1235.21 2501.61 2543.94 2339.71 2359.43 2551.79 2535.39 Agarotriose 2066.78 528.22 632.28 441.9 920.67 1486.42 990.4 1407.22 1496.91 2777.07 484.71 1072.59 1362.53 881.64 3390.38 515.49 1208.73 2787.89 4202.58 4235.24 998.61 749.97 630.42 612.55 1010.24 951.01 364.65 676.07 947.6 733.21 1160.47 1283.33 502.97 583.48 445.88 852.13 387.25 282.21 618.72 498.2 606.89 1998.96 1080.48 1587.07 509.94 652.57 1660.56 558.54 617.32 814.79 921.86 427.96 1757.41 1520.28 744.86 664.33 1046.54 280.08 1648.62 2509.82 373.4 590.2 1354.85 1142.83 548.8 396.33 284.67 2026.03 385.72 1012.93 2137.85 1640.62 1154.74 796.44 1153.71 2276.6 2256.64 1887.43 699.5 4708.19 7158.76 748.26 2654.95 3174.5 3490.15 4244.7 1344.1 704.61 3398.61 1480.48 3927.04 2957.26 2273.86 931.7 3426.05 2238.57 1914.09 3566.54 2799.41 2422.77 2567.67 2870.99 3211.44 2522.58 2721.19 2540.89 2518.66 2716.1 Glutathionylspermine 411.3 381.05 251.98 358.95 55022.84 267.67 958.39 428.16 666.56 234.76 1241.24 531.36 177.08 131.77 203.46 445.27 1247.77 315.59 1097.29 755.64 526.63 140.26 192.21 566.4 656.27 1606.73 136.27 125.08 236.72 407.88 171.45 415.93 528.8 119.95 186.65 176.11 743.48 1067.43 173.12 757.59 190.38 453.25 615.45 277.32 294.6 583.15 349.63 166.45 151.68 398.04 311.55 144.45 102.3 219.9 470.38 176.86 105.69 292.5 925.8 3386.81 231.37 243.08 113.95 330.43 800.4 1668.46 375.15 358.39 660.93 202.74 261.63 406.18 1364.17 134.69 384.59 1508.55 1791.8 2183.91 5122.5 2618.04 912.31 1365.39 733.45 597.55 1832.86 3135.34 1370.27 3126.07 1762.54 3046.95 5683.89 2477.23 4196.14 5063.98 3276.72 2500.05 1022.29 1882.09 2703.13 806.83 2072.67 2144.07 1997.64 2389.79 2077.13 2134.2 2002.84 1919.34 2111.87 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose 2852.11 8011.49 8154.87 7019.88 14285.54 4628.65 11881.86 9650.85 15749.95 2371.07 4881.69 15765.65 8935.06 1963.7 9602.28 14664.45 5346.63 12456.07 4628.12 8926.85 16125.33 2225.56 8225.11 4758.57 5752.73 3910.63 1587.73 6489.86 9879.44 5583.29 7459 9085.59 1918.63 7245.54 5324.1 2753.45 4714.25 3537.15 2966.9 6076.53 2009.04 9206.76 10436.33 4848.79 7546.81 21271.02 16113.99 8155.34 4150.28 6359.47 7954.7 8426.64 11332.54 12580.73 6090.44 6419.13 4016.81 2767.03 10004.35 9956.01 4404.87 7022.88 5929.81 10261.81 10331.51 11592.76 13916.93 11872.3 10517.56 10081.61 5690.06 10734.25 6013.6 16245.38 7883.52 9786.49 9797.76 9518.85 9775.34 9524.3 9532.3 9776.44 8195.71 10495.33 PE-NMe(18:1(11Z)/24:1(15Z)) 3118.42 2282.2 1762.71 4001.31 1130.77 810.55 2749.52 3364.09 3074.76 3355.72 3898.5 3070.28 3049 3834.9 2559.93 2929.8 2392.94 2223.56 5468.55 3653.65 2982.53 1508.86 2907.16 1849.92 1748.25 2098.1 2191.96 3574.76 3682.05 2854.81 2165.6 1629.97 721.29 2650.35 2631.74 2482.34 1669.98 547.96 4696.97 2711.98 1435.66 2035.81 3790.03 3431.8 4178.55 2932.67 1043.02 4267.55 3004.35 3396.33 2933.93 2051.96 4094.54 3779.34 2025.53 2138.77 1743.64 930.53 2565.14 1623.99 3090.89 3929.83 731.99 2665.46 2738.17 2851.66 2465.75 3022.04 3729.57 2264.24 2189.6 6201.87 4658.52 824.99 4301.34 3019.82 2653.68 3059.48 3163.58 3201.89 2948.88 2877.25 1258.93 3050.89 PA(18:2(9Z,12Z)/22:1(13Z)) 11344.01 1577.07 486.28 2948.83 4694.22 5262.75 5427.45 7321.32 19578.65 8405.88 9254.85 857.2 10335.79 6123.23 7950.97 4796.99 1998.07 2574.47 15043.36 6675.09 4699.53 575.59 1617.1 2512.34 3853.08 5884.11 2862.86 1639.7 6734.11 345.52 967.61 2320.44 523.93 3771.88 2803.66 1291.94 2340.66 1281.53 1158.52 886.74 970.55 5304.89 4842.52 4224.89 8356.53 9460.49 5049.73 1400.73 11696.79 5274.36 8460.07 1541.92 3379.98 2045.42 9962.04 3044.12 1049.42 604.64 338.83 786.75 4679.12 7890.01 3788.86 1483.89 942.3 7291.18 5474.99 9028.15 1814.63 3552.85 7856.71 16408.5 6765.34 5000.09 11367.22 6962.33 6972 6902.52 6709.47 7308.3 5704.74 6945.01 6742.52 6793.13 PA(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) 2721.08 1854.96 593.78 677.84 2853.99 2157.87 574.99 2806.68 3748.51 563.46 303.09 689.51 4194.62 3939.19 2859.15 2261.92 1128.18 4589.31 2371.79 9202.68 647.61 1189.23 191.47 571.95 406.33 281.36 415.49 558.16 248.14 305.78 477.07 900.1 500.47 160.03 191 1050.03 502.05 376.44 907.79 560.22 4972.83 4363.69 767.32 466.81 1114.27 4771.06 1479.16 972.75 849.96 6946.39 596.9 877.04 1360.74 577 2036.41 2698.36 823.64 300.33 694.42 607.88 472.49 299.58 1203.13 1118.21 926.91 763.23 2309.47 1729.58 3154.1 1548.11 1100.92 1838.15 1023.35 2785.19 507.41 3211.41 3239.13 1787.24 3133.64 3665.35 3026.99 3575.49 4356.87 3282.11 PA(18:3(6Z,9Z,12Z)/14:0) 8896.52 3678.86 1899.36 1349.73 3631.67 2252.71 927.54 5382.56 7067.45 3915.59 3850.26 1696.41 5398.52 3594.64 7656.15 3446.66 3381.42 1731.87 6218.17 2470.98 2451.37 706.13 2067.08 2240.27 3098.5 1373.11 3339.26 3260.48 3817.74 1490 453.52 3096.89 1458.45 1721.65 1110.31 1223.07 3607.38 990.1 3597.82 1203.92 2138.6 3451.83 2633.39 6860.59 6136.92 2073.89 5712.41 3552.52 2364.08 1077.32 3092.47 3183.87 1343.15 2966.22 4759.05 1222.68 1147.79 1473.89 6156.72 2440.04 5517.85 2992.89 5038.59 3745.54 2330.03 6210.89 4731.05 3582.99 2886.51 7563.56 6145.12 9927.97 3368.34 4075.97 3289.74 3627.22 3710.64 3319.33 3937.07 3417.41 3472.96 3453.5 3633.63 3413.17 D-Arabinono-1,4-lactone 4640.9 5220.88 4400.71 5765.29 8923.43 7801.71 7530.29 9864.65 15326.5 2486.38 6552.17 2761.2 3560.65 2926.92 4266.31 5603.98 4060.07 4249.47 2631.44 6174.46 10504.64 2402.45 3131.79 3718.4 2709.15 5407.19 5005.33 4601.81 11528.02 3549.46 5228.27 4757.92 2493.99 3875.46 4524.88 3862.16 6313.89 3465.11 5865.76 3936.99 11316.66 4546.37 3230.81 7583.92 3105.18 9892.17 5106.64 2241.41 3800.18 5159.65 7061.96 5953.94 4914.41 5658.57 6659.11 5949.61 14335.99 8676.96 5108.76 7580.76 6197.49 4420.74 15502.41 10875.74 3053.74 5351.24 21349.22 2450.65 4588.73 4456.72 10657.91 4080.4 11584.19 8006.79 10395.63 6767.26 6867.04 6815.19 6867.47 6866.95 6873.06 6764.27 6762.78 6686.95 (S)-demethyl-4-deoxygadusol 4297.91 4749.85 2285.94 1322.23 9908.23 6845.55 5939.55 8244.35 6602.37 5699.25 3954.59 7543.89 6052.72 875.34 5668.26 4960.45 3320.92 6687.5 5048.53 3207.39 3873.65 4008.86 5628.7 3748.83 4353.08 2976.42 1627.98 3373.26 10573.26 2026.32 3306.41 4735.42 3672.96 2668.53 3439.39 5133.56 3166.91 1186.52 2491.11 2051.44 4813.92 7396.5 4563.72 4412.95 8082.15 8051.44 8686.64 6618.25 3010.68 5963.61 3528.3 4518.03 5748.99 3257.4 2470.78 2823.51 2022.02 3639.86 4361.41 2295.7 1500.17 1970.78 3592.89 5476.04 4724.8 7516.83 5889.09 3860.31 4432.62 6654.47 5411.34 5815.22 2329.86 7003.31 7122.83 5978.1 5994.67 5930.67 5719.29 5959.31 5742.35 5681.05 5666.45 5948.86 PE-NMe(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 3093.75 4517.91 7708.89 3143.69 9405.26 681.85 2318.71 3512.86 7012.96 8449.13 6808.7 4513.59 23688.72 17677.99 10283.38 1372.26 3144.35 5412.8 16989.55 1635.84 8338.47 2855.16 13763.31 20770.86 15571.02 5015.67 35770.24 23625.79 6524.45 4017.84 2205.03 5281.53 3161.76 39806.64 5761.78 8525.09 11260.23 494.03 3114.83 6590.34 1699.78 22127.73 4570.89 13718.01 10754.55 11066.32 3242.16 797.32 3062.45 6207.12 34319.41 3470.46 3837.16 11115.37 10708.3 2049.39 350.62 4309.54 3843.53 4856.98 16522.64 7727.53 4858.83 1009.74 3100.06 18424.32 10681.43 32495.7 5778.12 6781.98 24991.59 24896.4 5479.78 2865.87 11079.35 9969.4 9651.48 10674.91 10649.71 10050.2 10176.01 12383.48 9911.76 8006.96 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate 1895.09 472.05 1702.64 1402.94 1796.72 1604.05 914.36 1212.08 562.64 1772.91 1657.69 1359.18 503.29 567.68 709.46 2290.39 2533.38 1381.1 1604.17 693.71 2422.95 1398.73 4054.6 3531.56 3148.97 3002.53 4024.69 4188.03 4626.65 4141.91 987.38 1346.71 625.36 1251.79 2591.06 1026.07 2135.15 2827.62 2897.25 1426.09 431.35 1650.24 479.17 731.62 795.03 700.61 955.21 627.06 605.11 1097.07 2020.33 1035.83 2490.78 2236.37 1084.43 1096.7 715.53 1652.83 560.76 730.22 948.52 943.09 2379.93 975.37 531.53 1281.07 762.22 986.78 1223.71 1106.33 865.67 3085.94 3427.19 3285.38 884.48 1855.65 1825.13 1672.9 1847.6 1836.83 1648.79 1729.31 1841.59 1862.03 PE-NMe2(14:0/22:0) 38722.4 23555.84 15167.9 46574.85 10398.66 10247.66 24726.77 23715.79 21308.55 49953.2 50316.02 25728.17 23671.09 43848.16 28348.03 25321.66 1080.62 27876.96 34699.08 23332.12 22566.26 39300.14 20302.26 4500.86 8003.96 420.68 26131.99 36960.53 17791.67 29317.26 14295.02 13346.6 17995.9 22887.35 25246.19 17798.89 29408.6 10671.88 58321.64 25082.96 30206.48 20451.44 36299.58 43515.26 33747.14 33669.6 24148.89 25285.25 18900.22 24144.3 19931.12 32627.17 46662.15 28956.04 20246.24 26284.35 21410.46 39143.76 36178.78 3554.55 46500.67 11193.52 15431.41 32329.77 15686.63 26651.82 8493.21 25734.95 49082.85 28314.79 29270.21 60523.95 30615.07 28200.47 31892 32850.08 32348.77 32915.01 32967.81 32317.94 32316.5 34043.54 33212.2 32315.95 1-eicosanoyl-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoethanolamine 1937.23 1899.44 466.07 1101.41 3513.76 2859.54 780.22 5994.48 2326.01 1874.93 1044.62 13732.59 5024.98 4403.27 2771.83 2596.74 873.89 2415.18 9031.33 1463.37 4563.18 2223.68 4944.71 1094.53 3494.26 1874.13 1086.59 2088.77 4794.76 6497.33 2055.18 4424.16 2665.27 3677.98 891.67 1482.96 3110.38 628.58 2602.37 1326.13 1185.35 2174.67 2140 1710.04 3403.48 3274.29 3282.23 4937.5 4210.2 5457.81 2375.61 1116.97 4718.38 2038.29 1998.35 596.28 2565.55 772.86 2199.8 939.37 3036.56 4414.08 1896.75 3377.94 1761.94 4331.68 1382.85 2540.3 1379.92 4558.69 898.2 855.55 958.17 806.62 2310.96 4084.02 4106.54 4129.55 4000.24 4083.67 3932.04 3889.63 3772.13 4118.65 PE-NMe(16:1(9Z)/22:2(13Z,16Z)) 31475.55 2885.82 494.89 3043.34 11680.89 1115.19 9201.88 24062.49 33909.8 5194.65 8366.2 6692.94 13295.53 5823.98 10536.14 995.76 5028.03 3286.32 25374.76 1455.18 11732.89 742.13 4982.63 3270.87 12273.92 2128.53 3665.4 3544.34 773.51 1575.12 395.32 8559.6 912.35 10205.65 2222.95 9393.4 6417.51 269.74 3792.76 728.53 8187.78 22758.26 5273.52 2640.66 28144.52 7412.97 16739.78 4087.97 15300.43 10458.07 25100.44 2242.98 392.66 2776.44 11201.06 5990.27 513.01 545.83 8853.07 757.6 3356.3 6193.41 10359.55 1512.76 5733.59 3417.06 7485.62 8648.8 3708.24 23708.92 27753.66 14435.55 2084.18 1025.44 5817.85 10350.56 11829.96 9306.46 11274.97 11871.01 12064.59 11931.09 11916.74 10979.79 L-galactono-1,4-lactone 15894.76 17693.33 42923.24 18392.44 13843.77 14202.8 14298.52 17688.88 22961.32 10109.16 26160.38 8295.84 5133.95 11981.8 14800.58 13584.5 18205.32 18439.11 6712.22 16854.13 17491.39 2524.65 6420.29 23028.14 5916.45 11397.5 11307.33 8302.85 8532.16 3769.95 13647.15 9857.98 9185.62 8038.38 15735.96 6232.67 21200.72 7093.71 13893.15 17111.8 11214.16 8394.06 16259.73 24960.92 12770.38 17674.04 16319.27 9278.38 7393.66 11187.29 11636.34 16637.25 12286.47 14241.89 12764.17 19011.31 110458.11 33668.13 16302.25 19734.72 29387.11 13622.58 36541.76 18124.04 12379.8 13797.49 26632.57 11800.5 24232.78 19885.33 21672.13 15960.02 35919.53 21911.57 17599.14 10758.59 9107.11 7258.38 2543.37 11576.81 9254.31 6355.77 10527.22 13056.55 8710.87 13109.13 10702.97 8145.67 9775.81 687.19 9142.53 11272.93 7651.94 4016.91 11408.02 10210.18 6803.64 10822.48 9548.78 17585.3 16823 16757.4 16796.56 18476.32 17264.34 16587.17 17242.31 17118.84 gamma-Glutamyl-gamma-aminobutyraldehyde 1791.42 2179.04 1184.12 3469.25 15261.65 2476.01 7936.99 7391.77 5438.59 4258.12 2941.33 5985.79 1419.64 2962.74 7417.28 6528.55 2700.89 5703.46 7465.89 4516.18 1389.42 2214.57 1085.93 4299.08 12995.2 3283.45 5808.25 1375.99 4308.8 2758.47 2063.47 9654.14 4306.79 1143.95 3770.31 6974.94 5456.2 1031.41 579.57 7940.76 3314.89 2592.43 7475.97 1058.88 5920.65 1301.78 5402.04 5526.42 1732 4638.21 2302.38 8262.03 7191.12 10734.08 6303.67 5741.07 3217.43 2252.89 5559.26 4479.46 4550.52 4389.43 6145.03 6470.55 4856.15 8988.73 3577.34 2740.48 3160.28 7338.61 5589.32 4570.96 1829.5 2281.71 2130.08 4906.49 4877.61 4928.52 3687.31 4669.06 4606.22 4811.95 4861.34 4638.68 PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) 27592.22 27809.03 8596.1 22729.88 6710.01 8589.01 12109.27 24911.72 48095.04 50040.84 45089.86 15744.92 23992.31 31205.6 28719.75 12033.18 18617.81 15586.89 56269.44 22733.24 18798.76 3999.65 18711.48 14441.34 20777.47 11383.81 31753.4 19397.99 7449.35 8249.88 7665.07 23115.8 3102.22 29330.52 18780.54 14971.59 33980.28 3915.84 37675.47 18779.76 15149.93 30847.52 22564.52 49663.39 28151.75 46837.56 28291.92 10669 47693.45 30488.83 42227.57 22505.95 17346.94 22951.52 31588.6 31496.69 7880.72 26085 10039 5467.91 30445.39 47211.2 23773.56 15964.2 15447.42 45250.96 32260.22 43969.54 33080.66 32124.21 40162.25 40289.31 32400.42 44284.63 45333.39 33210.13 33443.94 33497.43 33003.84 33489.33 33218.54 33515.48 32343.26 33499.56 3-deoxy-D-manno-octulosonate 5801.17 8675.76 7537.59 8503.34 8702.01 5773.09 6405.43 6563.7 6456.1 1296.18 5987.9 1864.87 983.08 3561.14 7695.63 8862.24 10039.2 5686.28 3958.05 2536.84 10554.22 5367.71 3079.05 5757.31 6796.28 9600.14 5798.21 3367.37 5117.33 2978.17 7372.28 6879.82 3761.22 7525.49 8920.66 4699.46 11304.62 4854.41 4981.12 7896.04 8536.67 4890.94 6021.07 4650.97 5874.67 11643.83 6448.12 8525.56 3446.47 3609.21 9257.6 6790.89 6656.78 5970.84 7024.57 9461.87 16996.42 10148.46 7264.35 9809.05 3801.32 6905.25 8282.87 5261.46 6050.43 5391.85 12687.97 2984.67 6098.44 9321.57 7417.65 2917.99 8877.13 7002.19 11909.56 4888.79 5182.03 5819.08 5130.53 4405.67 4682.33 5045.61 4755.77 5141.04 (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,20,22,24,26,30-undecaen-2-ol 379.93 1244.91 985.54 962.45 1449.54 747.86 1161.8 2073.04 1373.29 1418.19 628.55 4001.44 1392.05 582.91 1553.55 1324.92 702.14 1850.83 1825.29 1304.69 2311.29 890.22 764.1 1009.67 1560.3 1972.03 897.64 823.8 955.28 1625.41 1516.02 990.57 2631.26 790.43 947.68 2570.16 1292.93 588.16 968.73 907.48 1596.61 1398.97 1041.02 365.99 579.21 338.4 1436.79 2339.9 1300.96 2206.04 2139.87 1587.74 1030.75 896.48 1975.24 1773.34 665.23 768.29 3295.22 985.5 758.24 1274.9 2422.2 2012.92 430.77 940.26 2069.34 775.08 867.66 1960.87 1047.26 506.61 1322.04 963.95 848.45 1770 1928.03 2097.32 1747.94 1800.58 1921.22 1894.27 1907.82 1906.73 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate 52661.47 4382.16 2058.96 78565.97 1848.89 5597.95 4937.62 9467.55 5995.37 1162.84 2398.43 2196.71 18797.54 1905.22 53982.02 7705.24 48217.69 908.81 114250.99 2761.57 2729.68 2784.65 1397.54 1149.84 4824.05 8635.09 1700.76 1350.6 74228.46 1890.71 1118.74 3193.31 381.63 7381.4 768.51 1406.71 819.98 1290.73 10277.1 1530.33 869.1 2338.44 6977.75 2199.94 6081.44 6994.44 998.58 1775.89 9219.45 9324.39 3581.43 1173.57 1359.94 5320.25 3937.55 2798.28 7760.88 1425.29 5371.51 611.38 10549.34 1899.37 1703.19 2412.65 754.51 4260.17 1573.39 1184.3 4057.06 2799.67 13424.02 64395.48 2870.94 2325.44 14514.99 4213.68 3617.11 3059.11 4946.89 5440.76 4822.82 5248.62 4717.27 3945.72 3-Dehydro-scyllo-inosose 2107.52 1831.09 913.21 370.46 384.33 2077.46 973.88 2097.49 3779.25 659.08 417.05 1459.58 946.87 953.38 2396.73 852.29 1112.7 1530.29 504.14 1266.58 4865.48 1991.57 1016.42 951.55 3966.55 2031.21 927.99 852.36 1832.14 1432.74 3444.37 1806.08 1938.81 923.78 971.41 2078.54 2872.5 1600.87 702.83 771.03 4169.26 3512.28 673.31 532.71 2231.89 452.22 976.6 917.43 1272.28 974.15 2606.97 2468.8 664.35 520.97 1323.68 885.4 387.26 451.07 1143.25 978.15 710.16 911.37 1521.34 1146.54 1168.38 1415.34 4759.27 882.14 518.82 2292.32 2179.56 1425.48 646.78 613.44 490.69 1632.77 1355.38 1575.3 1540.52 1609.19 1663.57 1634.65 1811.91 1559.89 1-octadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine 10910.54 7248.4 2360.18 1623.97 2522 1220.34 2278.34 7912.25 15690.13 3955.05 12653.34 5944.94 9316.17 4902.26 10236.1 7297.45 6648.19 4492.01 14544.84 14613.73 10269.49 760.86 9995.4 9981.43 6209.83 6139.86 5085.3 3544.78 6602.69 2654.45 1495.68 7879.7 1771.98 12035.85 4810.42 9505.21 4278.08 523.93 8213.76 1392.16 3710.56 9305.62 7671.41 6045.7 18804.58 14916.23 15615.41 7133.72 18719.73 11618.87 7122.81 7024.43 6129.22 7819.44 7798.5 13564.5 3074.73 2088.83 5441.82 4011.75 9459.03 8752.95 17627.97 2952.35 893.76 10406.81 11435.05 5035.41 8030.5 6518.2 9534.64 6977.2 5320.22 5281.14 12712.63 8654.36 9182.72 7006.3 8694.72 8737.74 9174.04 9020.22 9170.02 9092.02 L-xylo-hex-3-ulono-1,4-lactone 14576.59 7403.67 7193.06 11726.39 8088.78 9217.54 14217.91 13297.94 12252.79 7592.88 12400.55 8204.54 17631.06 10397.28 13716.24 9920.54 6245.48 14446.97 9786.68 80660.85 8658.91 16026.5 13112.2 9328.65 7899.5 12298.69 7802.89 10722.9 13006.09 6918.49 21547.64 11258.26 7055.93 10232.46 10433.45 7169.05 12056.03 3574.15 14503.43 11849.9 10228.88 8150.23 8924.8 8430.27 11383.55 12216.97 11378.18 12274.67 12687.96 13035.25 9216.6 10245.55 8464.13 6680.23 3167 7602.15 9863.39 5318.9 10895.92 9467.89 8991.73 8192.46 8608.85 6527.48 8289.24 10037.4 13623.44 7096.1 10584.5 3073.11 16618.32 19510.93 11431.94 4252.94 6787.87 5817.43 6458.19 5938.68 6102.89 5371.62 5812.78 6260.5 5407.35 8149.01 Uridine-5'-diphosphogalactose disodium salt 2759.26 2611.1 5548.63 4504.79 1748.65 3874.26 2224.66 2113.78 1065.55 1561.64 2102.68 1512.29 1483.27 754.8 661.73 1197.35 5491.57 1568.33 2662.54 1317.28 5019.36 3192.04 999.17 2160.06 593.06 2259.01 2106.3 1510.16 1314.96 956.45 1212.7 1288.32 3193.53 927.5 1968.51 1968.91 6835.24 1081.46 1299.55 1950.56 1175.32 2241.57 2905.11 4793.22 1838.86 1493.8 630.3 1857.77 2830.38 1031.54 567.92 3135.79 2553.08 1539.77 4854.27 2226.68 15310.43 5741.34 1215.99 4234.87 3912.88 1480.97 4549.77 2528.94 2277.93 1206.25 1443.34 1104.06 3486.82 2118.84 1673.72 1173.51 1992.01 1407.33 2017.59 3224.14 3811.61 1135.74 1444.69 934.13 2042.24 2431.61 2080.84 4111.42 4436.39 5261.31 4077.42 3614.83 1599.86 4532.04 3145.07 2495.52 3489.8 2015.18 3433.16 3283.71 3092.53 2912.47 3846.55 3518.48 2007.52 1962.11 2134.72 2016.89 2061.19 2033.54 2007.77 2043.09 2000.76 1-pentadecanoyl-2-(9Z-tetradecenoyl)-glycero-3-phosphoethanolamine 3801.52 872.45 681.77 1830.04 2741.69 5332.22 6941.53 3906.79 1613.96 4093.27 4688.73 8987.3 3280.78 30757.24 1902.26 3135.2 3710.75 6080.66 786.12 1251.65 3508.2 862.79 750.82 1607.24 934.34 980.34 624.89 4043.22 1612.55 2767.45 468.38 5030.25 1812.98 606.22 741.03 1695.08 4764.07 2576.05 1710.7 1332.33 4380.93 6630.57 2515.93 4187.33 1756.25 3306.99 9281.86 1703.67 972.83 6687.12 17211.96 5096.47 3914.53 6149.1 4166.04 862.19 718.06 876.05 4292.99 3018.7 2864.57 6884.59 2170.08 2029.04 4346.41 8423.45 8720.48 1987.55 4535.33 2240.56 453.23 689.52 6750.9 1193.58 3114.7 3112.95 3385.99 3143.61 3376.55 3099.19 3662.65 801.99 3279.91 3085.05 N-(6-Aminohexanoyl)-6-aminohexanoate 2371.76 2482.4 2147.67 1162.37 5894.85 951.68 587.46 4128.34 8565.11 3292.2 2291.68 2936.85 3848.52 2452.7 13032.9 3600.3 2350.97 4971.17 3409.81 2822 2328.25 1160.88 1174.32 1531.64 4401.5 2036.61 2248.5 1527.61 3758.76 1621.12 988.16 892.56 5279.61 1370.1 1711.83 2135.06 2732.91 4611.85 2211.69 2170.04 1748.36 3112.77 4274.42 2031.96 3735.13 2713.76 3331.35 1681.56 2771.15 1159.17 5039.41 2329.52 3545.11 3107.24 5058.43 2769.16 3394.79 3709.48 4184.2 2689.87 1994.12 1947.66 4849.22 2650.27 5094.78 4685.22 1483.71 1540.29 1813.52 5281.36 4935.59 798.42 3711.44 4488.45 1929 2723.81 2729.74 2769.32 2697.2 2699.2 2769.59 2703.48 2694.45 2695.05 2D-2,3,5/4,6-pentahydroxycyclohexanone 5473.77 7884.42 15637.8 9178.94 5006.27 2286.98 5119.87 6677.12 10683.38 3820.86 10568.62 3282.64 1634.01 5594.07 6029.27 6335.45 6784.17 6306.57 4421.7 10530.11 7701.62 1999.24 1726.59 6428.82 1070.68 4891.2 2576.88 2441.13 4367.13 816.41 15283.96 1897.24 5564.3 2020.09 7905.09 3795.31 8114.23 1070.48 6491.89 7293.52 5328.99 2244.22 5593.04 12986.08 5753.17 5132.02 6005.03 3531.56 1466.62 3993.3 3567.96 7046.68 6182.56 6568.48 3733.49 7428.36 34436.02 12293.88 2699.22 5762.1 18087.91 2894.31 11524.63 6752.78 4413.73 4787.26 9687.94 5123.5 10377.14 8294.96 10758.55 7289.02 15790.27 5825.64 8989.66 5647.79 5145.43 4927.7 2457.56 5150.04 4824.55 5006.36 4846.64 5282.84 PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 25464.98 7013.4 3636.59 3441.09 4788.91 5124.44 2401.09 6828.99 9067.91 4508.47 13489.78 4781.47 9656.67 2416.97 10518.49 4457.38 4626.77 7855.4 3709.31 3654.37 6720.72 2979.53 1649.5 1276.45 2079.58 1998.64 1933.28 4441.14 5229.99 3162.03 903.87 2126.23 5683.74 4483.99 2711.52 4831.56 2601.35 1215.91 4024.82 2584.4 3803.82 6866.13 1304.48 9979.1 3906.06 4954.8 9948.45 5496.99 2426.4 7413.58 2726.08 6815.76 6049.12 1368.6 5964.67 5516.03 3996.91 2651.75 8278.36 3286.53 4123.92 3348.98 17988.07 7623.23 4770.27 9904.73 8473.15 4171.31 2889.28 9385.26 8710.95 4899.88 4000.56 2109.72 5748.52 5445.35 4983.67 5082.27 5037.85 5158.73 5387.36 5386.77 5202.22 4646.93 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid 118045.08 149041.23 84272.5 178252.14 184114.78 260705.87 198559.47 188777.07 187709.31 113613.93 184156.63 147351.34 46375.68 110743.09 341834.11 259627.78 318403.58 335821.36 207715.49 324129.77 89521.56 38259.36 43047.73 55338.14 64929.96 71760.41 43570.91 37051.15 87521.85 118513.86 59248.08 97461.28 159934.06 38626.74 63937.65 56548.38 130801.07 28886.17 81472.22 76038.27 263419.96 80561.65 104169.72 190803.36 156117.79 111349.1 238906.59 165697.43 58478.2 168794.02 122177.28 140408.74 80943.73 85028.65 194481.05 166981.58 127127.04 127343.34 304653.41 228742.35 220322.1 115515.5 219913.87 278506.94 328331.93 143218.74 200297.14 103134.92 137175.75 253363.59 305835.91 222426.05 253734.16 279564.02 243058.65 4576.61 4711.95 6841.48 4815.86 3159.27 4541.6 4940.84 5164.4 4315.9 3834.17 3726.08 4554.04 3834.08 5941.04 9803.95 3598.17 4607.49 4372.99 2593.18 4382.45 4691.8 2648.23 9900.74 9635.1 4744.59 209372.09 210674.03 210319.92 212127.84 209525.04 215391.65 212166.78 208268.53 209682.85 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione 1227.76 2185.47 740.26 2495.22 2085.54 2594.77 2803 1768.51 1763.22 2649.03 569.65 2769.52 2842.29 4814.46 2746.9 1350.48 2563.43 3199.48 4455.91 1959.6 817.65 382.41 677.24 562.05 335.71 552.92 516.99 635.24 728.25 420.07 1044.44 702.5 317.23 509.46 315.84 445.48 413.34 592.65 405.91 327.88 1845.04 1049.64 495.1 1125.56 3496.75 1866.13 1694.1 896.95 469.11 1771.14 701.34 1281.64 922.83 663.79 837.57 600.26 351.27 835.05 916.79 641.57 613.9 677.14 1342.88 958.96 1108.99 1120.26 1640.47 1614.96 1191.49 593.2 1341.75 2109.73 663.47 1769.82 1364.26 1210.32 1781.53 1688.24 1696.27 1728.59 1706.12 1697.8 1787.05 1873.63 Isovanillic acid 4718.99 3958.01 1671.61 1328.43 7133.06 7859.31 3722.65 2912.36 7786.75 4107.22 4297.89 4251.8 924.07 3158.49 5847.35 4052.53 3826.84 5365.45 4506.87 6518.57 3971.13 3175.52 2403.99 2151.63 3102.82 2576.32 1125.1 1561.57 2599.68 1793.65 3236.2 3477.1 2852.55 1812.11 1420.88 1815.41 3953.49 1250.84 3505.42 904.82 5355.47 4863.52 2934.39 3355.09 6604.32 2625.94 6339.6 2903.48 1593.32 5004.05 3748.03 3556.42 3121.62 2803.32 5802.52 3637.82 766.73 1859.94 3732.25 4943.42 2119.77 3739.01 4010.37 1303.04 4033.1 5259.24 7261.47 2620.72 3051.2 3306.35 4877.73 5924.6 3982.04 4477.25 4429.31 5237.55 5182.99 5295.6 5158.53 5315.94 5569 5256.65 5177.08 5157.44 (4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one 38139.93 33025.61 25600.84 49678.04 16259.1 26604.7 28244.68 31587.03 25276.96 40557.52 31759.01 34916.84 30140.34 41946.41 38733.32 34909.11 52893.7 46691.25 27361.35 30957.49 23946.74 26187.72 16908.77 24231.18 21178.73 26509.78 17188.73 24430.91 24446.36 42231.67 23918.85 20944.46 28382.9 19412.61 24677.77 20795.5 30105.13 18012 30414.45 31954.26 37899.72 24987.09 28477.93 66222.88 30418.47 35798.61 30069.92 29384.97 15613.73 25949.72 27656.48 33411.99 33757 27367.17 28969.9 32325.73 39170.86 41992.65 40720.67 68940.79 46683.34 48490.72 30025.2 38139.37 49796.99 21223.96 37775.36 41335.5 49238.53 28217.5 33125.41 46924.53 36225.71 42536.06 36569.85 31708.89 31742 31709.89 32045.19 32054.47 31851.32 32043.03 31705.81 29933.25 [(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] tetracosanoate 608.88 473.22 431.42 402.22 783.2 254.59 436.36 533.13 529.31 349.7 365.27 495.03 1253.45 247.8 499.53 482.29 544.02 475.01 1648.04 605.49 572.29 624.04 567 673.23 701.38 231.14 507 517.35 1471.38 450.81 471.06 1067.09 658.48 549.04 668.87 834.52 498.62 492.83 770.75 340.76 487.98 544.77 383.18 761.79 329.75 4701.56 250.84 1457.81 947.54 1641.42 490.65 569.14 457.95 714.71 528.79 418.75 364.76 1041.31 325.8 362.02 296.09 487.84 691.08 591.59 560.74 683.03 1075.1 318.13 425.9 654.73 1261.23 1215.1 374.97 820.74 307.15 1136.11 1156.38 1033.75 1018.31 1156.06 836.89 1074.16 1150.91 1167.82 2-Deoxy-scyllo-inosose 3877.51 3093.07 2801.38 3614.24 12020.64 6801.56 4612.74 4741.42 6669.65 3235.06 4358.68 4144.43 1662.47 3483.62 6147.71 7509.45 3000.71 3311.08 1959.55 5842.33 6918.78 4151.34 1924.28 1343.21 3053.32 4159.25 1334.21 5729.78 4320.77 1459.33 1502.25 4159.93 3945.99 2229.24 2173.34 3152.93 3632.23 586.15 2002.04 2206.64 3895.92 5430.66 2861.18 3485.36 3382.34 14421.7 7341.93 6018.48 2484.38 6460.25 2636.89 3864.37 2928.5 3474.05 2302.25 4620.23 6956.75 2784.42 6308.66 4781.51 2293.47 4328.72 2838.98 2801.94 3156.18 5030.53 6046.61 2164.36 2490.07 3981.21 5134.79 3664.57 1471.56 4697.29 4170.21 1780.68 2007.44 1230.77 1143.45 918.47 1760.18 2402.13 1202.87 3514.8 4198.42 3568.85 5518.88 2526.23 898.52 3240.49 1558.04 2511.57 3011.28 1141.49 2572.45 2867.78 3107.42 1304.26 3407.5 2598.78 4552.88 4564.88 4500.98 4420.51 4396.72 4257.32 4693.27 4583.92 4398.25 D-erythrulose 1-phosphate 19269.9 20476.41 20525.83 19633.02 16843.52 18065.49 21078.6 16979.59 16677.5 18342.95 18692.15 19615.23 18535.39 18631.63 18564.81 17457.63 19997.59 17966.37 22462.45 17327.37 26931.45 21129 20327.48 23691.48 22957.93 20801.61 21873.39 28704.48 21703.11 21162.65 19149.4 20605.39 19047.29 22560.71 24343.45 21777.05 19821.42 21988.13 22991.91 20311.85 19986.38 21013.94 24593.79 23062.65 23195.46 20149.73 23372.46 21438.11 23100.72 20615.36 25759.02 21730.76 23457.02 22646.37 21262.01 21008.1 21994.19 25809.59 22514.46 21826.01 23597.46 19765.85 26982.84 21569.59 19805.59 19170.67 20028.86 21132.35 19977.32 18311.98 20045.72 23432.46 17194.02 19065.27 18168.39 19106.16 18704.24 19097.75 19326.53 19328.58 19633.69 19110.36 19278.38 19326.27 D-Pantothenoyl-L-cysteine 3803.71 2576.16 26143.36 13980.44 9163.73 10909.88 17079.97 13017.97 14507.12 23952.74 33771.82 24028.76 22831.53 20873.65 10485.85 24388.34 24187.33 4740.63 24977.86 923.77 7620.57 7891.83 24110.54 18302.29 11472.82 9104.7 17547.85 22499.06 10169.37 11756.84 13624.34 27235.96 5402.67 20919.31 18813.66 7321.42 12284.5 2789.15 26067.74 19180.23 7384.75 19077.08 25850.31 32260.95 3451.52 8768.45 3422.43 26980.33 24778.68 19026.7 7785.61 14583.62 25109.03 18638.93 2767.09 19649.06 14851.72 14388.42 10705.59 6794.97 27939.3 18905.87 7988.16 18944.75 21701.35 17845 22371.2 26002.35 29385.14 2909.78 4887.56 28607.17 14712.96 24660.27 27234.06 13330.32 15994.97 13592.64 12423.55 11178.63 11240.39 16315.5 13760.96 12751.28 10752.89 14347.07 7754.79 13015.72 12059.81 14305.77 13236.23 13087.25 10588.58 15647.41 18938.69 16229.2 12412.08 15948.59 12157.28 11116.84 12770.66 12645.77 12548.22 10380.59 10207.87 11264.62 11346.26 [(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] icosanoate 10355.94 7173.44 2943.94 9634.16 3783.22 1094.18 4647.55 10052.67 14744.95 11985.13 15871.11 7649.32 10055.43 12022.15 5824.14 1854.25 1952.17 3058.32 2879.72 8985.19 6783.51 5298.16 2683.16 7037.42 4948.76 3088.24 7336.22 13020.49 3238.09 694.07 2744.53 1521.56 3519.86 9139.57 3771.89 6506.65 5058.25 2797.83 17205.93 5967.56 4633.45 9042.63 9043.79 13533.58 8804.82 11817.46 7158.08 1987.4 8989.41 6777.96 11163.35 3085.92 8066.5 7328.13 8037.97 8378.96 805.07 4749.42 6100.03 985.97 4349.38 20644.49 10617.18 2840.21 2155.83 7996.27 6645.89 13249.1 5984.4 6694.03 11314.63 14547.54 9696.65 1096.87 18293.19 8405.44 8758.54 6871.23 8750.11 8728.83 8390.77 8644.85 8747.25 9096.28 2-Carboxy-4-dodecanolide 24805.01 27411.32 18523.38 36065.16 31269.31 53381.44 42465.67 41657.24 39269.48 18990.42 34801.91 27620.26 21744.2 12461.07 64521.25 46792.39 57506.52 52227.55 47014.59 54064.6 21562.63 13839.71 14541.83 11345.63 9798.33 17559.87 4303.08 1296.7 24219.41 27289.1 3343.75 16360.95 33765.56 4873.13 6918.73 10400.38 27623.1 9776.42 14205.52 15749.82 53193.45 12940.96 22903.5 31168.43 31568.88 23397.9 45756.87 37052.84 4756.09 35693.55 10841.48 30769.65 21552 14301.96 42389.62 32887.5 25595.62 23608.72 54405.22 41364.84 38091.45 14654.08 44582.43 52011.55 55566.23 9706.16 32631.27 2595.52 25350.13 48101.03 47342.9 45357.11 42799.33 49920.77 45682.92 45986.78 46524.17 46038.59 46280.14 46800.17 46008.41 45825.87 44912.9 46759.3 Isohumulinone A 155500.23 329563.63 25835.44 272750.5 119804.54 174373.85 125664.31 247431.57 154177.78 186552.83 111465.76 480286.89 389650.62 273524.5 241838.12 208580.69 135577.7 690786.53 456575.92 676433.5 135406.89 39728.37 42576.71 45321.17 33867.93 122721.45 5283.75 176951.15 181910.52 367373.36 153073.69 838341.31 112241.19 121501.09 57466.39 43817.91 31363.67 11691.79 109671.54 26399.68 508913.02 433371.31 79491.75 267020.57 643911.77 347411.98 483980.69 229363.17 258223.87 1052633.59 139245.02 410031.65 165305.45 227754.63 285736.76 154114.73 25426.98 133875.26 10541.38 51337.08 145399.33 177566.84 227933.83 134673.68 162879.49 351515.91 431682.6 191460.93 173740.8 175668.68 111120.33 89796.38 115997.05 324313.25 163497.44 278653.79 289646.57 282899.59 284762.09 283146.18 282910.01 286150.83 304924.74 289176.43 [(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] icosanoate 4202.51 3261.36 2475.44 1605.45 451.89 3551.99 3313.95 3865.27 2283.33 7126.41 5142.79 7093.17 6572.62 7912.59 4493.67 6476.42 6636.79 5785.13 8187.52 1993.73 3381.39 3430.27 2339.28 759.46 968.71 2108.28 808.31 3999.83 435.61 971.19 2756.3 6322 3421.13 2637.09 4400.1 2015.44 2009.63 2411.1 3546.1 4348.53 432.25 6666.34 6654.7 4480.49 1820.87 10281.78 5360.38 8215.92 8556.38 4698.51 12684.55 6469.72 4467.66 6419.12 4054.89 3019.34 7704.97 5031.75 3416.24 5759.16 7718.63 6967.99 5828.52 3366.62 5392.34 7896.8 7970.39 4170.5 6945.07 4901.53 3859.52 7211.12 5719.6 7082.26 7006.13 6326.24 6804.85 7107.89 6754.02 6900.24 6935.22 6745.49 6934.47 6759.04 PE-NMe(15:0/15:0) 2109.81 7342.17 8911.93 56406.92 134661.26 11942.84 156802.12 2566.23 2761.56 18040 12714.29 715.24 70766.85 306.28 3354.71 11165.41 14950.98 406.89 20200.13 7013.77 8977.58 6625.69 9456.45 6043.03 316.96 3829.18 463.14 195.98 8545.6 573.97 2924.78 3900.23 5265.13 3768.22 6544.5 5278.07 360.92 3790.5 320.74 6308.99 58411.95 13455.07 15584.1 330.46 2424.17 50937 3108.36 13579.17 6946.52 13632.8 4085.39 157.66 407.17 4408.52 32630.31 8421.22 525.6 926.49 2385.11 3814.24 12855.24 10039.75 3510.95 9555.92 1126.36 9218.41 620.38 14240.18 8998 12618.99 9457.78 18418.03 8665.51 1739.94 13796.47 30854.24 31514.95 30613.62 31076.55 30618.95 30851.46 30612.18 30610.77 30617.38 L-erythrulose 4-phosphate 8543.51 6167.35 8230.38 7708.49 7778.09 5009.42 7595.75 6172.39 4502.37 6709.71 6921.56 6782.21 8771.59 4942.12 7835.15 7795.58 9301.26 7060.74 7307.28 4928.81 6770.1 5247.98 8014.1 6128.27 10338.51 7844.2 8693.52 6801.55 7266.3 8308.71 7907.05 7562.65 8216.48 7812.69 9429.26 7075.63 8113.82 6731.25 10077.24 5782.39 8369.91 9643.17 8307.77 6556.07 9385.25 8379.25 7040.92 6536.71 7509.22 5746.25 9869.66 6412.13 6507.8 6393.96 6510.78 4490.11 5263.51 9776.23 7513.42 8904.22 6486.91 6808.72 8359.8 4551.06 6382.65 4606.26 7602.72 6014.52 6264.26 5610.22 7401.4 9166.91 6532.41 8395.79 4872.45 7762.89 7372.86 6771.19 7777.18 7636.64 7543.26 7754.6 8166.32 7778.55 1-pentadecanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphoethanolamine 1977.09 823.96 3892.12 20787.16 38714.66 23257.77 47828.5 3127.22 1099.21 1010.05 2057.83 3914.33 12965.04 1053.59 1145.69 10590.92 6602.73 1300.8 1227.6 634.8 1118.77 354.55 1210.75 2210.51 542.4 386.05 259.86 921.39 1577.87 350.27 279.75 1667.19 239.19 946.75 2321.16 434.04 507.53 256.71 1741.25 871.63 9889.17 3282.7 1538.24 2296.3 826.65 16533.5 371.96 447.26 598.64 2765.04 1472.8 1360.22 1726.26 4262.63 5554.17 1451.46 4221.72 2289.68 1439.85 681.51 3841.22 1997.69 1902.23 5069.3 1819.26 3599.54 1216.02 2321.37 1349.65 732.33 807.18 938.89 2606.94 3198.53 3302.46 10935.82 10934.05 10695.87 10932.56 10973.86 10921.5 10822.49 10936.1 10822.54 [2-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid 3890.17 4949.32 1244.77 1397.95 12910.15 4588.8 810.3 13468.39 20570.43 5465.09 4478.47 3676.53 4642.35 5493.19 5246.12 6025.03 2936.91 2075.83 6806.43 12727.06 7072.68 5901.31 2099.23 576.19 4324.02 1132.52 831.79 1772.36 9473.65 2242.06 7599.29 6105.14 2904.97 1722.38 815.31 3559.51 2273.7 891.39 1612.97 789.97 9965.74 15479.56 1203.85 3295.99 5821.97 6951.43 12212.41 3412.14 1982.24 8703.93 8146.22 7143.93 4640.85 2948.39 10764.15 4402.97 1775.69 1556.56 14912.68 1730.05 485.19 2093.3 5739.65 2891.99 3778.14 13207.76 6551.52 2307.69 3458.24 7620.4 10700.21 9355.44 1620.68 2842.53 4233.86 4801.13 5095.49 4429.93 5090.09 4969.87 5594.68 5076.7 5164.83 5014.37 Didemethylcitalopram 18934.65 28884.86 9360.03 24329.68 10094.6 37728.62 27155.33 13709.36 23690.38 16945.35 22779.45 25379.5 24908.41 26324.27 35462.4 33525.75 22186.6 38692.44 32694.64 30830.55 10989 8749.52 14082.72 15467.42 5331.52 6812.7 3410.96 14267.86 3636.86 15248.15 25059.21 20439.98 4638.9 11680.46 10981.02 7115.21 5816.77 3998.49 9770.51 8979.95 42883.18 33195.65 8706.61 14931.82 33643.82 18305.07 33162.87 22139.88 21047.62 36585.27 11012.97 37678.52 16437.45 21981.92 12452.86 31852.96 21665.34 12438.99 11301.24 7501.87 18913.03 15736.53 13482.34 5741.71 26374.36 29145.46 56713.32 6744.53 10077.54 11238.44 13380.87 13645.95 23604.28 29570.44 7881.89 31062.66 29870.25 31954.34 29911.87 30859.69 30402.94 30397.85 28653.21 28990.18 PE-NMe(16:0/14:1(9Z)) 4484.36 5390.68 8465.11 10971.75 3232.22 5170.57 6238.44 13934.02 10222.11 42517.3 8665.49 7566.78 5425.06 9506.04 8541.7 2630.47 13572.64 7677.96 13002.9 4060.17 6633.69 18086.02 6148.44 3467.15 7054.61 2474.53 6021.38 6085.37 3097.26 5250.6 5230.06 2816.77 3520.32 6050.99 5595.12 5910.62 4373.77 3187.42 5746.64 8108.54 4644.51 2630.5 6939.94 11515.45 7651.58 11073.43 3695.29 11569.95 11745.94 7114.37 5123.28 4318.66 9044.65 5850.18 9018.44 4871.94 14522.59 8557.22 6075.36 3799.4 6045.94 15992.22 7927.26 14402.1 12911.32 5322.97 11211.66 9593.46 7736.77 3520.72 4101.61 8265.97 11653.18 15244.34 12788.94 9264.98 9258.81 8459.26 9548.23 10199.81 9279.15 9552.36 9557.63 9551.35 4-(gamma-L-glutamylamino)butanal 1981.36 2175.21 1052.62 1445.54 8339.84 2072.27 1954.22 1992.05 5599.69 3070.24 2464.12 8335.26 4483.04 2551.22 4064.56 5070.5 1135.04 4738.48 8023.61 2325.42 1036.8 909.9 670.6 2459.89 3375.04 809.93 2690.52 1137.44 1252.53 1056.97 868.74 3196.74 1072.64 679.38 1578.84 2952.02 1894.51 672.55 812.38 3260.84 410.57 1970.13 2309.44 1637.95 3120.51 6706.01 5072.45 2703.7 1082.63 4574.36 1487.64 1163.36 3422.27 4959.62 3482.27 2994.56 1045.97 2829.31 1502.92 909.1 2827.59 511.69 4195.86 2634.2 3379.84 3587.12 2019.03 2734.62 2079.28 3934.18 741.04 3661.67 2933.37 5670.18 2177.6 3480.75 3156.93 3006.95 3177.46 3029.88 3191.33 3629.81 3031.62 2283.59 Phosphatidylserine 5528.14 5414.13 5200.53 6335.52 3926.82 2557.5 2419.26 5908.51 7638.19 10869.36 6986.6 7411.12 2434.92 769.97 6256.93 5309.44 6936.13 3703.35 7602.77 4320.89 8800.69 9117.69 4318.53 4672.2 2057.5 6604.33 1424.4 6960.17 5737.35 8050.23 3965.6 5317.97 399.94 7772.06 1275.16 4466.41 5687.21 5975.88 2283.28 4544.98 2207.34 5652.6 4226.57 1834.4 1652.24 990.72 6842.81 6111.5 7172.39 2374.26 6665.96 2950.07 2313.07 2926.99 2334.58 3555.58 5400.38 5510.22 2485.91 5622.7 4366.31 2631.72 4493.8 5927.29 8104.9 3737.32 4005.73 1547.53 7570.23 375.23 10413.69 2501.58 4244.49 462.09 2766.07 14337.26 13449.5 13244.99 15403.01 14639.87 14541.0 19248.46 18693.23 22935.92 24096.3 20840.11 24427.96 21167.85 22736.55 19931.96 24934.09 17482.74 21592.88 24473.5 22528.55 19935.1 18775.96 24935.7 23034.45 20228.42 6053.24 5743.58 6468.87 5738.59 6353.98 6501.6 6291.48 7151.92 5803.98 Oxaluric acid 1314.05 2564.25 1664.85 2241.61 504.87 2466.32 438.15 2136.82 1049.58 1418.4 844.4 1274.74 1085.91 680.15 4210.62 1609.71 1068.92 3033.64 926.31 1592.08 391.38 988.64 591.97 523.59 570.52 993.95 647.35 808.9 1815.67 1116.19 1064.29 873.54 2074.07 2771.71 626.96 909.46 651.03 849.63 428.99 811.31 1114.52 1001.89 1018 2509.87 1502.05 587.43 2394.95 4202.4 768.99 1677 577.83 1334.81 1679.62 1442.79 525.06 5754.04 916.45 1383.64 4371.59 836.01 1305.06 1708.7 2309.97 2832.36 4884.77 1623.92 1208.22 1526.5 2013.26 2762.52 2189.67 1151.6 1451.39 3583.02 2251.33 1834.29 1884.32 1641.94 1832.88 1836.6 1922.52 1881.24 1857.92 1867.87 PE-NMe(14:0/20:1(11Z)) 828.05 2934.85 1498.4 1549.43 431.62 1465.46 2802.05 1614.75 4280.51 1586.16 6083.98 4700.87 2021.36 3618.77 2538.99 3756.56 2183.43 6029.35 5390.12 5891.74 1938.9 674.45 1916.52 807.17 780.97 955.63 1027.6 540.41 746.33 5121.53 1562.2 3246.23 2150.55 887.51 1871.29 435.13 1235.3 599.78 2165.13 1288 4162.08 412.94 2508.99 5931.42 1907.48 748.3 3518.47 7376.95 1057.27 3617.83 844.18 4030.56 2275.04 2094.91 1220.86 2338.81 1154.69 2366.73 2453.51 1413.27 5488.47 1844.68 1015.06 9175.2 9693.97 647.79 4702.47 1247.79 5722.59 2796.98 2161.77 866.2 7055.82 7383.15 6081.3 3310.64 3307.18 2214.39 3186.91 3047.48 3697.15 3340.53 3289.14 3213.12 PA(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) 7173.61 16763.8 8293.95 1835.86 13678.02 19262.73 4280.27 13345.65 21827.63 13583.24 7382.85 13276.38 16443.2 11144.75 9927.09 13031.91 1944.42 14044.48 15882.44 23505.77 11252.84 3212.4 10555.25 7361.92 9274.25 7170.51 4664.89 2555.51 4976.51 1743.44 3996.09 18303.36 4538.57 5184.15 3570.74 15575.83 9536.98 2800.75 11090.65 876.12 12273.08 24645.89 10437.26 6212.29 26694.92 14499.53 11590 13089.72 17073.5 28300.71 15948.29 20983.22 7960.97 14155.06 5313.24 20849.61 7307.89 4950.97 6698.43 1216.68 7622.07 5336.57 10561.13 5679.66 6732.36 12004.74 15444.11 9408.33 2230.89 12122.02 19553.63 3957.23 6434.26 13414.95 9038.47 18781.82 19367.48 19537.9 21287.02 18816.07 19540.5 19480.91 19311 18024.52 1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine 6886.03 4285.84 6410.74 7093.31 4112.77 560.63 2907.84 9629.3 11874.26 3247.24 4734.55 5405.61 3422.85 555.38 9643.1 3645.59 8442.84 3706.95 14762.39 5426.54 12719.16 7300.63 11681.7 8906.52 12914.01 7430.08 9742.75 8509.45 17751.57 6222.47 4288.4 7499.2 6736.29 5119.47 5482.19 8484.13 8884.95 1586.64 10577.7 5951.34 5507.61 7430.88 7773.21 4363.83 4062.9 5183.43 4558.17 8751.14 18332.8 4768.48 977.27 6892.2 6282.3 3333.55 552.19 4128.84 1662.65 4240.83 8991.34 2333.77 5034.6 7758.29 5760.48 5835.75 6877.68 6770.47 4552.69 10146.55 6634.59 3458.5 11640.33 12784.22 5344.99 3356.37 7978.65 6044.24 6335.89 5536.17 5492.24 5855.66 5131.36 2782.6 5443.39 5873.28 PE-NMe(20:2(11Z,14Z)/18:0) 63767.79 16444.03 3365.22 27337.9 67921.15 8807.55 9595.66 59976.34 65704.27 9102.82 6076.09 40941.13 3320.74 24483.15 46635.07 2113.39 31240.17 13878.09 30267.78 26290.71 72333.31 1966.26 27636.88 3512.91 83216.69 18483.15 5272.68 2296.29 23057.82 2608.27 9028.87 27980.72 8933.77 50236.54 1414.3 68628.57 20383.59 1849.42 3392.79 10179.94 16187.62 63473.76 35764.25 22088.52 97613.82 18862.3 70235.04 28040.15 45041.9 35602.61 58792.11 17496.05 47758.89 2005.51 64981.13 27446.27 13353.63 1077.8 37696.1 8551.21 23533.58 66603.48 45531.16 2011.15 15326.42 81433.1 24819.84 679.78 21313.12 103216.16 42560.98 60449.42 2164.44 18451.87 1866.66 34534.44 35094.94 34530.2 35927.92 34851.82 34572.2 35131.76 33158.12 34509.72 17-(4-Hydroxyphenyl)heptadecanoic acid 2477.14 2274.6 4067.12 4769.95 2801.22 1365.82 454.69 2117.78 3164.41 836.96 1085.53 3099 2244.01 4432 2233.78 1851.03 939.25 2369.1 3511.1 3721.79 2465.52 2063.15 2488.43 1532.37 2840.86 1688.3 626.5 1018.35 5561.82 5454.32 1480.6 4802.48 3633.29 1949.84 2224.1 3930.79 2508.38 665.82 1459.32 541.1 1456.05 1222.02 1803.07 2183.52 2925.48 2119.17 1373.04 1772.9 2895.47 1954.58 1466.98 3682.8 3935.96 1922.3 2442.73 2100.05 1913.01 541.48 1391.19 1509.74 1780.17 2693.37 2899.84 3272.38 1041.28 2459.08 3498.78 1061.81 1428.72 2640.64 2023.84 693.59 2268.94 1019.88 1071.27 2533.69 2497 2533.61 2496.69 2502.58 2498.03 2535.07 2394.93 2562.89 3-(3,4-dihydroxyphenyl)-N-(2-(3,4-dihydroxyphenyl)ethyl)propanamide 65205.39 62096.69 9653.22 37521.71 26954.85 2127.76 26563.96 34262.71 31537.36 21800.67 38773.38 145622.16 252922.7 322884.49 105581.16 70287.56 71809.88 404515.66 95119.71 223917.15 19240.85 7048.68 15688.8 17766.3 14372.87 12577.27 9993.69 19196.32 68715.35 76186.28 153224.9 318806.14 14054.24 25126.48 15791.8 59793.95 15178.15 4163.31 21729.02 9482.24 311151.35 102911.77 51657.69 78678.17 295930.89 134887.84 97415.66 58395.49 81961.94 397888.18 63959.93 182105.53 50871.17 102349.86 72926.38 117412.66 17224.04 17990.47 23267.16 9446.4 30765.8 4760.58 69126.54 34449.92 63564.27 113545.84 295423.65 69477.61 98479.63 25545.58 24050.46 17810.01 26213.1 28307.51 62264.16 106671.69 110213.34 106687.99 107733.92 106710.88 107336.9 107319.97 106587.84 106916.65 9,10-Dihydrokadsurenone 74798.55 65747.34 17546.34 105203.05 88722.98 403265.06 90681.09 106072.3 91048.62 107049.07 138071.3 134322.69 435403.11 210506.94 105948.29 104878.73 160731.51 90364.22 228664.46 160069.72 28523.26 19784.24 22062.82 33208.54 17662.6 17804.33 10230 41995.97 53502.12 20701.09 17484.39 56291.84 16177.6 68661.1 16490.08 11910.31 13158.24 23426.31 58744.28 11897.42 50193.51 128555.68 67917.62 51485.92 97890.11 133080.37 52782.01 42278.54 72565.24 460226.34 49324.23 50001.92 91899.12 88967 61740.68 32295.14 16818.1 35781.48 34146.19 26157.51 27425.54 30780.2 60968.57 38932.74 46229.73 83172.64 160632.38 55420.14 79288.13 30229.83 68788.78 97122.97 84866.64 144514.72 190824.42 147480.57 176442.62 148808.63 149071.58 150857.08 154540.97 155914.52 148465.85 152782.71 (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid 104815.31 25012.92 14266.26 225684.63 527703.2 1680578.35 557923.04 77840.63 44236.2 50360.29 42015.6 85030.47 271162.89 43707 35148.94 92663.28 43645.81 29410.63 41661.23 24351.96 22660.41 24468.56 19274.56 21141.64 36696.69 23297.28 17726.85 31132.48 40607.85 14528.78 11878.38 39596.43 20346.28 19651.92 15459.65 56691.7 21745.62 5624.06 22024.08 14036.18 261742.47 95667.67 18823.83 37526.01 36225.28 435349.6 38435.36 26344.38 22979.83 65235.77 75073.53 36812.79 19239.32 43199.47 82943.83 26357.21 18356.9 10110.77 34352.54 49881.74 22693.87 48466.37 25345.35 26259.42 10725.18 67543.7 51752.65 49979.8 27681.26 33866.18 26739.74 41770.14 18813.41 10269.69 77679.83 5302.43 4130.82 4122.85 5711.08 5660.13 6775.52 5222.92 4204.26 4290.02 4948.01 3310.2 3518.07 4453.66 3941.74 6066.96 3425.08 4980.55 6283.01 4342.3 5297.0 5197.14 5506.91 5226.15 6206.64 4777.76 123253.03 123439.89 123436.64 126346.95 122971.44 123426.87 122324.37 122347.92 118505.7 PE-NMe(14:0/20:4(8Z,11Z,14Z,17Z)) 5231.41 9337.13 3016.08 6846.02 5028.76 13823.47 5767.27 3039.58 5920.07 5563.16 8361.58 3509.82 1239.57 6750.97 8676.5 5540.26 2008.6 7115.5 6856.79 8186.5 3023.5 2554.75 3652.68 3084.23 2311.51 6761.18 5528.51 2377.2 3212.03 1200.63 2638.26 2750.51 1511.6 4408.79 4356.01 2533.73 2178.39 2942.16 4579.93 3031.09 7414.04 3171.28 6452.91 4683.23 6012.84 4379.15 2919.05 3578.45 2722.68 5632.06 1955.28 4257.02 3000.45 4749.31 3646.44 8452.33 1308.13 3722.43 3617.36 3728.78 7498.88 6151.78 3419.16 3042.59 2231 3879.18 12241.38 4128.36 5293.5 4580.35 11153.66 15434.07 2929.19 8313.95 5559.1 5725.94 5889.76 5982.56 5908.64 5897.17 5712.42 5729.29 5711.84 5902.78 (S)-2-acetamido-6-oxopimelic acid 454.5 633.7 1666.05 945.27 2234.22 1913.64 1023.44 1483.17 1580.7 750.99 1129.46 1318.79 1170.74 719.41 1146.87 1060.21 1370.32 969.69 1310.98 722.7 950.11 902.85 780.63 751.08 809.73 1040.75 936.87 1599.9 725.98 544.77 1498.02 586.98 854.38 1059.21 1938.66 578.92 2155.66 471.18 1749.96 579.07 3033.95 2222.77 980.51 956.29 1584.15 3254.21 1421.61 2923.72 1077.08 1477.43 766.35 750.12 823.76 2538.18 638.57 1062.32 841.31 438.62 735.84 1138.47 941.76 731.05 935.86 795.26 1127.08 1075.59 764.23 926.07 554.94 568.34 950.99 371.47 1356.67 1893.76 2318.22 1468.26 1452.28 1341.07 1356.03 1493.6 1468.93 1375.4 1468.08 1400.78 Tetracenomycin B1 6933.47 11219.71 7755.52 11040.62 1524.67 3425.63 8917.27 1818.26 4438.77 10493.42 9503.75 15529.6 1771.65 7508.44 6456.46 8056.2 12112.59 5797.04 6521.55 991.04 15834.11 13840.57 12417.74 13685.74 12480.53 12919.05 20298.38 22043.87 18779.46 11372.42 8777.81 1923.56 15911.61 11419.77 13678.46 16486.4 18149.01 15013.3 18980.87 20578.58 2303.99 7051.15 11903.81 13374.31 6389.89 5354.25 8404.9 15338.92 21456.23 5589.26 11690.06 9597.4 13159.83 12942.06 14063.22 10441.3 12401.17 12012.59 5190.78 10358.4 18465.38 12975.56 6177.94 9053.85 14949.33 1867.99 4743.94 6937 6087.62 4707.89 6604.49 12777.9 2840.96 9030.49 9704.03 8897.71 5196.65 6250.44 6758.67 6299.07 5933.88 8785.16 6248.23 6706.05 6368.22 9354.52 8710.16 6388.93 6362.53 10345.17 5418.36 5176.46 5558.78 10216.42 8223.74 5821.77 10525.89 8295.09 10961.82 7044.26 5854.51 6365.11 6006.54 6219.17 5731.15 5586.89 6002.56 6300.23 5090.11 PA(20:2(11Z,14Z)/18:1(11Z)) 5635.54 8707.34 1957.12 4177.1 4806 5134.42 5694.05 6979.07 5749.98 5910.88 8658.43 6913.22 2611.48 7557.31 3304.72 4147.89 1426.77 6510.65 7610.88 6616.91 6867.73 1557.78 2208.99 1887.91 4263.76 4037.23 2990.26 4117.01 5144.84 7677.31 1135.79 5324.11 5259.14 1183.96 3248.46 2616.83 4987.09 1452.18 8560.75 4074.31 7640.57 3432.42 5658.23 5081.64 9989.98 2831.12 7654.29 6573.79 2622.32 4483.22 4491.45 10495.79 7721.98 4585.43 6486.14 6240.32 1025 1714.64 8669.48 726.33 8844.85 3551.35 4893.61 8701.76 8451.45 3576.3 11151.58 2965.43 8920.24 7656.57 9899.07 8538.06 3585.22 3784.04 3949.16 6571.6 6653.85 6487.5 6972.92 6647.3 6488.14 6543.09 6288.22 6663.52 (1E,3Z)-1-(3,4-dihydroxyphenyl)-3-hydroxydeca-1,3-dien-5-one 2032.84 2693.34 2903.74 5018.43 4486.95 2145.85 3941.11 3175.32 3058.7 4148.32 3104.46 3734.41 2523.69 2586.97 2732.18 5227.31 4681.82 3621.81 4450.44 3654.01 3339.59 2664.79 2193.14 2494.57 2439.69 2218.01 1949.42 2055.24 1775.42 2558.52 1154.26 967.98 716.79 1830.02 2590.04 2473.19 2364.6 1081.89 2591.09 2166.57 916.58 1487.25 2257.74 3761.71 3786.23 3310.45 3154.92 3761.76 2140.98 3012.97 1845.08 2192.38 2791.41 2490.87 2772.22 3184.96 404.01 4539.59 4121.57 3458.79 4595.52 3580.14 2567.65 2269.59 3357.52 3833.39 2835.05 3696.1 3288.4 3814.26 3902.33 4580.64 3546.61 4955.51 3849.51 3825.66 3678.04 3797.11 3394.64 3709.45 3912.48 3705.61 3805.12 3805.21 2'-N-Acetylparomamine 19535.14 41435.59 3154.35 40212.44 42145.84 27919.38 22322.58 19631.37 15639.3 12159.82 7189.54 41144.84 120744.71 83433.97 113053.17 26815.47 34060.98 124796.65 132248.38 120865.16 4511.38 1187.75 1451.73 3433.5 1364.55 1663.77 591.73 1325.73 18653.1 4154.24 24572.55 55367.96 5036.67 631.51 887.78 3125.61 2974.03 2181.68 513.7 1205.51 120352.82 39088 5306.1 7411.41 112483.1 23979.81 32606.05 1368.11 2129.44 122426.32 3056.62 20757.13 5589.97 14308.51 17113.44 24093.12 2519.16 7361.16 5308.3 3078.79 3905.91 1168.77 13085.18 5855.63 8460.76 45618.15 96473.73 4050.6 10000.69 5076.79 6266.44 10321.8 1950.35 24590.53 11797.1 19250.88 19591.7 19298.14 18718.65 18769.83 19390.37 18862.97 16917.64 18652.56 Carnitine C16:1 29915.2 9745.83 5294.05 13441.78 24490.75 3909.09 12114.19 21416.98 11463.34 7698.2 22134.69 18350.27 19028.74 18147.57 17347.9 16039.76 11550.06 8873.95 27296.8 4795.32 16736.88 3280.82 22219.39 20025.1 23371.79 13974.86 12902.75 28014.67 14679.58 11321.86 6778.44 23319.66 4723.67 5127.04 9835.91 14370 13964.31 3220.43 19452.37 10720.07 11187.76 25010.59 30261.04 20391.43 14239.95 25527.24 8096.69 4962.43 26824.46 21466.66 33826.74 26257.05 22652.39 25614.98 39310.38 9989.56 7429.24 6008.29 14622.55 6563.26 14821.68 23523.63 10928.29 11408.44 9929.67 18531.32 12269.79 12373.35 11682.17 13914.21 6341.92 9749.93 15411.97 11642.4 16035.9 2062.89 1066.42 1753.94 1820.16 1989.37 1636.58 2212.58 1668.99 1841.04 1481.24 2084.18 1643.39 2209.25 979.07 1646.35 898.62 2030.43 1755.26 1815.49 2098.1 1865.67 1975.73 2462.56 1851.77 1786.72 16639.24 17093.53 16330.07 16109.86 16628.16 16819.37 16454.08 16121.91 16335.25 PE(14:1(9Z)/20:2(11Z,14Z)) 18505.14 17622.03 15754.13 17397.72 9132.47 11427.41 8510.35 15741.62 20933.47 12487.41 15076.04 18509.62 12222.59 5185.53 11204.27 8449.58 22048.33 14470.63 14860.3 13597.78 50886.12 14330.58 9529.43 4229.72 22931.8 15915.62 10047.62 2677.75 19929.82 14400.4 12572.98 8131.42 20062.45 16048.76 9327.31 23194.39 18212.67 5419.63 5643.73 7459.41 10367.49 4663.91 10131.75 14730.74 34058.75 18048.26 14445.54 15523.03 14613.54 9477.8 18301.36 13078.99 21482.8 14064.02 14356.01 14906.11 28270.54 13785.09 19669.89 3828.26 8534.81 9983.48 17647.78 20836.76 8212.06 18918.43 13791.1 9291.23 4938.25 20160.65 19656.5 13984.05 12214.71 10682.08 19774.45 16344.28 14722.6 15511.02 10096.83 14696.57 15265.42 14735.94 14558.84 15393.18 2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol 32812.66 11115.58 10478.51 41449.81 5630.2 9151.8 14992.27 10073.42 11590.15 19668.76 14065.66 11283.71 9009.02 31123.09 28640.13 5463.42 21173.83 14805.07 26065.1 12988.49 7689.54 9718.45 9921.02 4056.98 5208.22 8544.25 8334.47 2144.21 20491.91 13020.15 7342.78 6417.92 4143.89 8865.3 10762.44 11484.44 10863.7 3279.78 18040.58 9746.08 10757.6 5680.77 15507.39 25250.26 14819.25 13942.05 11306.25 9326.18 9755.27 7836.97 5916.48 13540.94 13505.34 13313.17 12269.14 13919.19 10820.81 20487.55 18828.5 14576.61 17814.93 18805.53 13446.78 12148.76 12666.37 5558.92 13567.06 9391.68 18241.82 13243.73 12312.01 35288.67 14643.69 11460.05 13625.74 10056.07 10698.85 11299.65 7063.47 11158.33 11140.63 11610.06 10888.52 10671.28 1,5-Naphthalenediamine 37615.44 34644.85 38414.39 39798.56 59544.49 28974.08 45154.88 51328.79 31477.36 50370.3 62734.35 67126.55 106210.58 67900.75 48348.48 77010.89 64100.17 48315.1 74988.45 13818.22 24910.12 29226.19 56457.61 44909.85 41316.25 25712.62 27905.24 49506.1 43041.92 6678 23343.73 71600.97 24587.08 48485.55 42762.26 34312.03 30321.24 7885.84 51088.25 28300.45 19253.64 56727.41 58127.7 60465.6 58889.67 58359.89 45381.93 46824.26 66284.59 105406.87 47348.65 50524.62 73906.62 72686.56 41091.53 44431.38 30543.69 34157.29 49575.92 22025.11 53977.2 71472.72 40233.34 68430.48 59894.2 63787.07 13853.53 82872.11 64797.56 40557.18 37040.45 47871.63 44587.38 67720.33 68391.09 54221.28 54431.74 54429.07 54430.97 54064.1 54833.2 54431.36 53796.31 54156.54 PA(18:3(6Z,9Z,12Z)/20:1(11Z)) 16057.06 7076 2527.08 757.61 8374.8 6330.68 3031.58 20036.65 15268.4 2505.44 282.76 18491.04 3636.22 5911.58 39494.1 1106.07 1339.43 13643.2 3832.35 33232.75 19822.19 2142.46 558.05 1046.74 2946.6 1737.99 301.58 1647.88 4484.42 1200.42 3857.45 3781.36 3352.11 740.61 1172.4 11704.64 3232.05 347.92 928.82 515.38 842.4 8592.06 622.45 521.92 10871.28 227.75 25327.85 10613.54 2189.01 4893.11 2216.32 3609.37 2228.49 776.81 15965.65 7709.79 711.88 201.68 28730.23 8412.95 3593.19 1115.23 13088.2 1004.25 1120.79 9214.45 14868.05 382.35 4494.85 20751.55 17319.84 1353.93 1149.1 507.08 1016.14 10271.56 9648.41 8064.02 9652.36 9976.07 11704.92 10029.96 10339.05 10278.12 4-[(1S,4S)-4-(1,3-Benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]catechol 25767.14 32516.01 13818.77 4048.47 2157.36 1466.77 9817.68 20011.37 68391.46 34867.44 28770.96 12375.02 7844.84 20756.18 26273.99 24542.36 14385.56 19153.67 16314.59 5402.77 16584.99 3880.04 11182.88 15248 21252.17 48950.59 13997.28 10893.23 12865.78 1451.19 10768.74 15980.64 1596.35 3423.74 7568.75 15474.18 40715.31 8361.71 13134.75 27256.47 5870.52 19274.02 20648.53 16912.42 23435.53 6394.13 8908.26 2426.6 10062.46 24630.18 14009.25 27358.69 12559.6 15573.38 31110.3 36043.44 11142.45 24300.39 13428.06 6833 13663.55 5437.51 40947.2 44585.34 25463.13 33522.87 52737.98 29391.23 28959.24 43498.59 29088.6 59361.79 27486.26 29259.72 27125.07 20875.64 21035.72 21085.45 21080.99 20874.36 21415.59 20881.49 20505.62 20880.59 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihydrochromen-4-one 11787.7 3183.72 1104.63 2369.46 13380.53 9664.56 5500.24 17352.82 33519.46 3017.12 6397.69 3733.76 5905.6 6278.47 23460.01 7539.58 5025.9 15048.53 9020.04 27893.75 5114.63 2801.46 1606.87 1424.39 2156.28 4610.04 337.99 4710.23 10887.49 6777.21 3270.72 4109.22 6351.1 2794.34 1850.83 1957.21 6546.93 1617.31 3550.64 2111.15 7358.18 15762.45 3040.32 3545.54 6702.86 6664.38 27114.65 10447.45 7125.71 9761.56 8097.46 5448.84 3315.87 2409.71 6073.06 1101.37 1254.01 2198.94 22723.95 4212.84 3412.02 2277.69 4986.95 4167.67 8025.79 11010.68 9291.72 10551.93 10403.37 5363.23 15709.46 4759.52 14889.08 7522.26 3987.91 10875.94 10937.74 10708.05 12812.07 11272.32 10026.51 10601.07 10071.88 11212.63 Arnottin II 4497.03 4058.98 881.4 32333.77 97026.15 8695.3 34404.24 1765.12 576.62 483.65 337.29 4458.85 58911.02 4529.67 1482.08 29848.37 13520.54 6971.26 2106.26 1390.12 8566.55 3470.96 3845.52 3737.78 4562.47 2667.35 3293.76 1211.34 19945.64 2105.33 2249.35 3244.62 1336.59 6414.65 7170.3 368.6 327.87 880.37 1913.97 3865.51 19670.26 16316.98 3864.18 6098.35 592.81 57898.19 761.23 4503.45 15946.41 30239.36 13109.12 415.75 2613.8 16586 20481.98 6484.79 262.59 4664.52 13554.44 1038.54 7915.01 2832.84 3459.14 5022.07 4073.97 17929.58 1509.22 20437.53 1950.58 483.64 716.98 2091.51 3849.35 17099.01 28490.74 9919.61 9749.8 10489.12 10916.68 9604.84 9725.88 10681.44 9622.01 10643.9 Murrayazolinine 1412.54 169.57 504.76 7981.87 2335.94 5011.96 4433.49 394.73 256.66 410.9 416.26 625.33 5394.98 199.21 475.69 1221.23 837.49 351.15 993.61 783.84 304.27 404.26 590.14 615 286.79 506.86 1341.95 676.32 246.81 326.65 228.95 718.83 400.26 1037.1 297.69 569.2 209.68 599.28 148.69 744.92 6189.33 2521.58 345.87 465.59 333.38 7935.15 762.26 840.26 170.93 724.06 1565.35 427.02 342.91 1188.64 1888.12 164.1 395.6 428.27 402.36 2649.07 137.1 1317.55 425.21 273.51 802.48 1051.51 464.1 930.89 532.44 755.08 575.8 820.27 742.34 556.92 2507.87 2420.01 2370.45 2394.55 2373.28 2373.09 2441.48 2194.61 2418.52 2455.48 PA(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 416.38 132.18 633.56 6950.83 7499.5 8666.08 7293.6 418.36 493.51 646.89 978.97 511.71 1586.7 336.06 773.81 1397.77 804.39 707.43 656.25 388.59 398.54 145.23 326.5 427.61 181.26 143.58 285.04 177.81 560.92 179.85 336.5 417 138.38 498.93 295.95 263.62 175.14 429.92 134.63 228.35 6719.54 435.82 221.88 280.48 168.23 5379.12 150.33 310.56 511.61 210.92 357.13 570.96 403.12 808.14 2521.81 703.32 229.9 342.56 328.29 2122 198.7 1103.81 222.39 967.69 539.21 340.57 618.55 577.73 249.77 559.04 271.05 773.97 540.63 877.61 633.95 2102.34 1983 2326.56 2053.07 2054.16 1942.75 2039.15 1980.05 1974.29 Citalopram aldehyde 1058.55 8208.37 10092.17 9811.02 2367.4 3004.21 5795.04 808.14 504.08 2375.66 1677.3 1394.22 9301.18 6075.88 3052.58 1932.98 9517.41 1519.3 1647.3 2347.02 1338.99 410.61 3308.5 5527 610.81 859.98 1806.33 1793.07 556.81 297.8 297.61 1695.26 2306.13 2074.4 3835.92 946.51 2795.17 545.49 4578.38 1653.98 4973.4 585.4 6789.82 8289.55 2982.15 4781.24 1214.29 320.56 1399.9 4409.67 537.48 10246.07 2444.37 2745.4 5482.33 8276.65 15510.46 11217.95 637.4 3624.17 15354.89 7100.01 5780.59 3482.65 594.49 5048.92 5902.05 8641.89 4713.45 636.67 1064.35 6855.25 3616.08 5212.12 6252.31 6439.02 5871.12 5869.02 5660.29 5877.95 5285.55 5667.78 5853.46 5677.19 2-Hydroxyenterodiol 4045.72 9940.22 3023.65 4430.21 7298.14 15985.12 6809.76 10463.85 6178.97 12156.74 13238.51 8130.97 8729.16 8913.38 6819.71 7429.4 13112.99 10752.18 4453.07 10788.65 9389.64 7792.21 7536.02 8333.13 5069.62 8297.84 5620.32 7968.59 7747.28 6607.99 6861.33 6128.52 12170.31 6778.89 5920.01 6828.42 9244.48 4156.03 7461.8 6475.18 14023.09 12210.18 8407.78 10794.66 12063.04 7972.64 3490.48 7785.34 6944.42 12639.7 9248.14 12648.66 8813.39 8068.54 10945.89 13642.07 4207.88 5755.74 14689.88 9203.68 9830.78 10301.32 13324.25 10456.16 7016.42 12736.65 12458.27 7112.05 7494.69 13142.97 11884.6 11852.72 9056.83 3516.5 8539 10309.87 10358.46 10304.85 10642.93 10687.39 9921.89 10536.02 10546.99 10432.96 3-Hydroxyethylbacteriochlorophyllide a 11058.32 21697.89 40839.98 58929.91 44849.95 110807.28 90354.36 13477.76 23269.23 49063.67 71709.74 75565.08 125072.31 39744.08 25098.99 180539.58 102267.29 21896.67 109261.37 25534.28 20791.59 21558.06 66426.87 85782.08 18551.54 31276.23 98388.86 49394.72 13187.06 58365.48 6703.84 68411.6 9397.63 84314.98 54638.93 6765.13 17056 11115.17 109373.09 36999.16 104305.49 26746.39 74769.23 55842.6 24523.81 71763.86 30484.03 75573.82 50894.89 138743.71 23093.54 24940.85 70856.08 98297.06 19112.32 24972.4 35290.65 33738.5 16306.37 36351.97 43374.72 56799.17 27140.08 81098.6 89151.28 53009.1 34858.2 62161.7 57034.81 13606.77 25688.19 58858.24 31218.47 119564.34 86823.74 67050.93 53937.64 67217.86 71181.71 73055.72 72454.1 63521.67 66992.58 71178.6 Cinncassiol C1 9538.45 10202.81 5242.91 9897.53 8466.45 6260.92 21653.19 9786.69 14073.3 19468.68 31380.72 15599.94 11244.77 19765.31 17264.16 27109.94 15582.75 4493.95 31053.07 13974.18 13445.84 5271.64 20710.23 24322.37 13618.73 7275.86 14369.69 19416.9 6919.98 20167.12 8638.85 24314.47 9731.78 16488.11 21076.42 9109.71 19608.79 3639.11 25773.31 14180.24 16119.97 10388.14 20358.08 24289.42 11332.91 27177.01 14597.33 23296.18 27035.6 28612.74 5153.84 10049.28 22505.62 19900.11 13438.66 8161.15 7151.56 15917.48 5908.46 4898.26 27963.47 18672.18 8880.25 27094.43 14099.65 13011.71 15912.94 28395.66 38243.39 14075.15 11417.4 26176.4 21510.95 16150.62 34202.77 20304.43 19890.16 19590.09 21220.26 19399.57 19404.01 19410.94 20231.12 19819.75 Quinoline-4,8-diol 13226.94 16317.05 14495.17 16632.9 24334.2 52838.36 50015.3 20701.53 21530.76 10276.78 19254.3 7205.43 22126.07 17567.29 27068.37 23403.2 18925.47 5506.75 27314.44 10055.08 11993.21 70166.34 13605.44 9331.08 11770 16945.51 7819.78 9507.21 20806.46 10933.3 7799.02 4033.13 11533.37 10937.21 10033.44 10018.62 10826.43 8166.16 16873.24 8838.41 15848.18 25467.12 20474.49 18009.55 11067.56 17182.2 20713.15 22781.79 15113.26 22360.87 14366.93 21789.9 16718.26 18047.26 19730.91 24461.62 21474.8 16312.26 18052.12 140838.73 14655.91 18018.02 19378.79 21606.3 21815.74 23525.57 19495.07 19175.36 14942.62 21431.77 19920.55 19287.9 14365.96 23987.59 22862.03 18133.04 19018.89 18923.49 18384.66 19547.19 18147.53 13150.81 18206.41 19556.57 PE-NMe(18:2(9Z,12Z)/24:1(15Z)) 4464 1834.66 3504.17 5254.78 511.34 5265.21 2309.94 1818.32 6116.9 1660.05 4355.37 8434.08 1085.86 3940.01 1958.37 2465.99 1604.87 575.19 7714.38 5547.69 6532.51 1450.57 6550.27 2892.31 9112.9 4319.13 650.04 4864.94 12040.06 3021.46 793.65 4917.11 3992.46 3796.22 1762.45 7821.59 2108.24 3447.48 6772.21 3435.61 2100.06 2758.14 1185.45 4184.72 7169.68 7279.8 6177.97 1918.04 6430.18 5333.5 1662.17 7938.74 1379.63 7342.69 5352.33 1383.68 1096.27 3745.37 2503.36 4133.8 1144.37 4348.56 8445.8 3366.45 2776.06 8222 12148.97 6228.94 8678.45 5162.59 4588.64 8885.84 4023.56 3479.4 1199.93 4308.42 3898.35 3981.51 4029.46 4518.36 3710.55 4004.66 4392.4 4334.83 PS(18:1(9Z)/18:3(9Z,12Z,15Z)) 8777.76 9853.45 5882.93 6659.61 3467.07 12894.4 9261.12 8435.62 9565.97 10503.62 9059.7 7946.21 9390.43 7652.51 6861.63 7679.72 8128.18 7725.15 15503.89 11389.82 6439.47 2316.55 7693.43 3116.34 6524.29 8861.7 4992.63 4815.03 3772.21 3945.99 3154.98 11286.81 2859.44 4384.39 4662.22 5206.07 5240.03 1568.24 7177.26 4993.22 8774.86 8004.94 7551.83 9803.04 13801.51 14382.34 9126.63 5368.97 12190.56 6500.27 8318.99 4877.79 8030.66 7506.38 8619.58 5484.18 4841.82 7088.86 5047.29 3593.62 7163.02 11404.87 6228.48 8692.68 5574.22 9129.53 10538.7 10535.51 10254.18 6732.86 8148.18 12382.43 10732.55 9786.01 10692.31 9741.93 9488.28 9472.16 9960.3 9479.42 9771.5 9743.18 8599.71 9479.7 PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 32257.29 6979.97 5161.25 21592.8 2203.7 1623.71 9873.97 29118.54 10979.56 1692.22 20782.49 18336.55 5568.64 42997.08 47470.8 19245.26 29402.97 17020.59 33959.81 10242.06 6390.67 7906.99 9827.7 7555.78 12620.37 4577.75 3486.7 12228.19 30047.8 12735.78 6084.43 19546.1 1009.89 483.23 10775.92 20050.46 14212.87 3895.21 10867.03 3115.99 6130.5 17584.38 25979.26 6924.93 10452.21 21372.37 30242.69 31669.97 22936.86 18014.95 32714.27 28060.47 8576.08 28923.46 25222.74 12034.38 4067.55 2016.87 17268.5 2479.62 21585.62 21653.03 16026.74 9173.91 45149.77 29526.81 11292.94 26231.12 16083.91 10024.38 8443.11 31251.61 21012.33 18550.87 26746.79 21476.17 22744.14 22763.61 23278.56 21763.73 21448.65 22911.91 22706.74 22769.2 2-[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid 233.26 12080.38 50994.57 171265.71 57633.14 672983.6 118398.99 57634.16 36847.77 72103.56 17659.48 5390.14 58194.8 23544.47 31606.24 119206.5 87150.28 34036.12 34997.44 27153.18 6618.33 342.3 29254.61 24087.77 39344.94 4173.08 7670.36 1636.37 1872.4 33689.75 64282.38 5344.21 6643.48 177991.72 40965.94 53303.02 24837.38 16014.12 4163.46 2276.84 11784.34 6890.37 274.9 16061.77 53078.79 266101.74 60368.56 38993.29 322.75 13045.61 3588.31 26781.14 5312.56 3309.97 3156.54 49754.14 63603.52 314.4 18242.69 554908.31 21554.79 154167.16 868.07 532.4 29583.98 57102.61 292.53 345.5 26388.66 23002.5 494.48 2490.47 27340.86 470.54 23789.78 60920.82 56440.06 56505.11 59601.69 59394.99 56463.1 56569.34 62433.75 60936.95 (2S)-2-amino-8-(oxiran-2-yl)-8-oxooctanoic acid 14323.67 17712.65 7403.63 8169.74 15061.06 28536.52 22995.19 27216.94 20854.43 12332.35 19460.58 12305.7 11013.64 7816.99 20553.19 14833.15 9344.8 13259.19 14081.27 24418.16 20467.28 12631.43 11227.57 10528.67 11858.97 14854.74 6354.06 11269.55 15531.84 7919.6 9443.58 2429.57 14425.91 10263.38 8784.46 5919.68 12416.32 7345 12788.02 6820.01 14947.72 26425.92 13442.3 9387.33 15210.62 6286.23 28222.13 14880.74 9299.63 10532.25 14507.1 27732.18 16540.41 16419.15 9778.98 22197.12 6513.54 7509.39 19129.89 20065.57 9122.94 8776.44 16343.84 11139.31 11706.46 26344.82 32049.98 8322.65 7391.35 16937.49 25706.26 26017.83 15369.1 13997.12 13105.28 19179.46 19417.55 20170.87 18738.11 19406.36 19125.35 19415.49 19365.63 19126.53 8alpha-Hydroxy-gama-tocopherone 29222.34 57659.53 39505.02 10452.52 7600.5 26500.54 33584.39 24037.29 67008.5 81831.44 41454.54 25075.52 39120.67 51637.88 21576.8 22837.4 27585.6 8368.49 24163.94 37324.88 36177.48 63476.28 30147.65 45692.09 23361.72 55360.89 33631.97 17821.25 23342.72 47469.81 60958.61 24372.67 44880.23 32779.12 37778.43 22436.99 46224.31 92056.4 9553.98 53833.52 35235.53 23877.5 64890.8 22519.83 17444.35 44559.95 23770.36 74492.46 45386.86 27984.09 36422.34 36231.14 42803.02 21688.54 16223.54 48500.9 33370.96 13137.35 12677.48 51792.63 22599.57 11021.65 19470.87 29951.72 31304.78 17518.22 45462.22 75411.37 32850.5 34795.48 48314.34 46738.13 42881.29 30732.52 23734.53 35787.68 34678.94 35096.31 35102.88 34791.71 34700.53 34933.19 34935.06 35162.03 10-Hydroxymyristic acid methyl ester 2125.24 1313.74 941 22192.92 1602.89 4236.12 8045.59 2842.92 2094.08 1819.29 1676.73 3487.24 57059.65 2224.27 1362.16 1620.97 1421.79 1687.77 1991.39 1520.55 2871.2 1796.61 1758.17 1883.33 1823.13 1220.26 1126.29 1842.2 2735.69 2585.34 866.96 1318.91 1798.25 3492.54 3906.47 2125.47 1567.95 1933.03 4590.86 1933.38 3559.61 3094.74 1217.05 1956.27 2358.99 3914.84 2025.06 1517.94 2548.95 6475.28 4885.21 2146.36 3211.37 15829.56 2346.58 1162.17 876.73 982.33 2117.12 3629.19 1753.28 5055.7 1627.79 1042.22 1944.62 5027.49 1702.86 2654.24 1957.32 1468.09 1557.4 3179.68 2142.17 2804.57 32902.34 4552.04 4615.15 4526.48 4547.55 4552.42 4548.21 4526.15 4530.55 4445.35 3,4-Dihydroxy-2-butanone-4-phosphate 1350.74 1514.17 980.94 1813.77 1554.63 2114.85 1097.44 1447.2 1531.26 1603.81 526.74 776.58 806.87 2219.41 915.39 1661.94 2587.08 1231.9 1529.67 2101.45 2915.7 3155.32 1707.96 3616.99 1589.37 649.98 2717.99 1571.55 1834.59 1510.29 911.45 1781.81 2313.09 1213.9 568.67 1396.04 2154.77 855.1 1277.84 2097.12 1433.97 1714.46 2578.93 908.16 1337.99 938.67 1086.8 1351.22 1221.13 1795.11 1820.75 2813.76 1677.84 1810.02 1195.36 2413.62 4766.65 1693.58 2257.46 668.42 2955.02 2119.16 1977.09 2033.74 1067.94 971.29 676.96 1395.62 1804.79 1926 2154.39 4183.59 1453.87 1120.75 867.7 7452.18 6228.54 6039.78 15264.96 4993.14 9426.42 6796.92 5963.39 8005.78 10025.73 10569.5 8942.81 7713.36 16170.83 7387.57 6232.9 12724.1 18140.04 19796.22 6402.42 11586.58 8158.18 6963.88 7571.04 5531.5 1326.82 1492.47 1536.16 1554.09 1315.09 1560.09 1522.59 1738.87 1534.93 PC(20:2(11Z,14Z)/18:2(9Z,12Z)) 364177.96 106367.27 71143.47 161443.81 65850.7 22247.4 58824 175472.31 86985.99 69624.32 232825.14 288805.75 264640.22 162185.92 344379.74 187756.53 202251.36 87771.41 448846.15 115955.2 134479.35 23724.71 108509.76 111576.16 115173.31 47580.38 73358.36 118729.41 208533.87 74173.51 4075.38 206747.18 46660.93 60269.62 71649.41 136200.04 143304.62 5818.58 151048.11 51293.87 107036.72 295967.63 203315.44 145557.25 143959.47 165353.6 181522.77 154155.76 212505.89 288382.58 413613.89 266807.43 203967.02 262856.26 322704.87 108965.13 60532.8 39702 156599.32 29912.34 191079.62 196180.69 153327.66 148308.83 167767.29 330264.01 182280.38 165817.22 104788.74 230416.39 107773.2 178039.49 224888.28 118431.66 150067.3 176354.97 176412.89 176423.4 180585.66 178192.47 178178 178214.12 178216.4 173109.3 Methanimidamide, N'-(1,6-dihydro-6-oxo-2-pyridinyl)-N,N-dipropyl- 7207.09 5623.29 5520.7 10259.28 3205.43 6485.15 6916.15 6348.89 6262.82 9532.93 8132.08 7507.74 7133.93 7882.58 8035.89 8306.69 9377.99 8477.68 6141.81 7250.44 5552.17 4288.65 2684.95 4681.36 4302.48 4426.8 3396.51 4543.28 5790.17 6462 3236.83 4595.59 5191.13 3730.6 4264.55 4707.22 5706.94 2656.43 5494.44 5455.73 7304.81 5076.92 6046.09 11053.71 6840.31 7135.86 7353.86 6412.15 4521.25 5265.38 5249.7 6920.87 6303.64 5427.94 6895.41 6989.22 6774.29 7180.45 7866.69 11400.71 9505.94 9017.62 7463.72 8170.39 10115.32 7416.32 7364.28 7168.37 8013.4 7722.36 7872.63 11016.82 7584.99 9348.51 8817.85 7176.28 7063.8 7008.87 7017.47 7065.61 7170.51 7282.17 7009.12 6152.68 PE(15:0/18:3(6Z,9Z,12Z)) 1817.85 575.42 590.07 14356.23 5750.7 3170.46 1434.08 794.14 450.98 873.94 552.94 1226.68 5062.81 971.01 1492.58 3482.59 1947.92 1132.57 1313.41 2294.17 583.55 615.48 357.97 551.08 941.92 183.23 605.12 439.17 743.46 575.92 430.12 700.36 488.13 835.02 768.86 861.67 304.04 201.63 477.91 962.22 4399.71 2182.53 737.41 1618.76 1041.12 3500.89 405.02 435.12 1174.77 2044.39 1001.35 402.89 1312.91 1448.53 4436.22 639.01 800.62 486.45 740.23 1538.78 1572.99 2715.58 1818.39 690.59 466.57 2336.8 655.22 718.74 837.07 1322.99 672.57 1580.25 1749.19 1324.02 3613.82 3282.95 3312.47 3545.83 3138.09 3612.25 3510.83 3068.81 3808.61 3235.38 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1b'' aglycone 9558.29 15286.74 17230.4 17020.08 18855.47 16479.76 17527.83 17600.04 12659.05 8088.84 8945.48 21980.83 24167.51 13082.56 10556.83 18000.67 7311.38 12960.71 28711.6 21048.28 10601.98 4775.71 5810.32 6833.35 5378.12 1848.2 1978.4 1701.06 10120.33 8988.03 6951.22 8775.85 4595.82 14343.23 6156.08 5473.08 4411.56 3226.94 5738.25 4106.07 9342.09 10552.07 10207.14 4648.6 17421.52 10875.77 17101.87 11016.43 1998.01 19379.23 9832.74 4258.24 5627.29 9870.73 8626.52 13018.96 8279.93 6835.75 11107.68 28565.7 9645.81 6889.53 12844.79 15326.75 14675.17 11441.07 5895.07 8198.94 11088.95 10760.24 4489.5 13875.5 8136.52 17931.64 13185.52 2440.74 2456.56 3017.17 2141.0 2409.66 2567.46 2837.92 2657.56 2574.45 2252.57 3234.25 2762.67 2304.63 2135.6 2346.55 3135.26 2239.32 4088.15 2564.56 2587.11 2590.42 2460.14 2326.5 2642.97 2491.8 11103.66 10660.18 11232.72 11031.98 10530.41 10287.42 11125.46 11151.46 7343.09 7-Methoxypradimicinone II 14452.27 16072.38 2527.5 2442.69 2060.7 2937.58 809.76 5913.33 77616.18 6600.31 6909.62 1858.59 4652.34 5893.46 10412.69 11285.92 6677.05 10448.34 2295.82 7378.01 4533.04 1083.87 904.82 2196.52 4341.38 12308.81 5098.8 2619.57 3828.97 640.72 2041.94 3736.03 3118.01 939.69 3020.48 1135.89 12500.1 1730.03 2406.49 11680.79 3190.11 4566.87 3918.38 4657.14 9072.64 2639.17 10994.13 473.39 5779.13 10715.61 5518.13 7942.02 2103.19 4495.66 29170.19 10136.58 3022.69 4578.2 7314.54 1890.41 3580.16 829.5 17840.32 17122.64 12024.71 11362.61 12612.03 7656.9 12774.07 22385.32 17813.18 14901.22 11514.81 9844.68 11974.07 6479.23 5981.26 5275.39 6462.75 5791.18 6450.18 6459.36 6180.2 6782 Buspirone n-oxide 265.94 123.24 2115.22 29399.88 160885.59 188825.25 157772.59 2125.28 129.55 72.88 24.26 1896.82 14102.53 48.33 533.45 8341.02 2345.84 44.83 28.62 269.65 85.9 156.41 1689.48 39.76 59.45 103.51 592.08 39.62 1004.26 1146.57 56.21 1688.96 45.52 245.36 55.31 1473.37 1026.76 432.5 48.71 49.12 47025.19 3093.23 184.78 1422.13 61.12 10776.83 93.72 398.33 256.4 109.26 1370.99 61.56 216.25 1218.1 3003.69 26.21 1589.69 30.25 751.45 6726.96 46.02 3235.64 52.79 115.73 1373.95 2278.09 83.41 1733.38 45.31 52.76 81.4 1024.45 222.47 78.16 3452.6 12926.06 13154.38 12573.84 12762.53 12699.07 12621.68 12904.67 12159.59 12618.89 15-Acetyl-4-deoxynivalenol 2376.98 4922.63 7902.21 8657.2 8371.37 9817.85 3369.9 6190.19 10085.26 4011.55 9616.59 8224.62 4354.91 5741.44 7016.37 6570.45 1996.55 7822.47 3378.88 3494.22 2989.35 1340.04 4952.34 6171.26 5362.68 4565.44 3369.61 4315.12 6638.67 3021.53 2056.66 4045.18 5375.48 4281.4 3175.37 2819.07 3579.62 2659.62 4004.18 5179.5 6457.06 5307.11 9773.79 8489.47 2451.81 13441.01 6473.32 7123.09 5266.14 5312.25 1915.26 9236.15 4137.42 6832.25 4416.86 6191.3 5542.56 5356.21 5602.26 5529.08 5475.73 5909.56 5656.29 6014.43 8145.33 4037.73 6477.95 7407.2 1640.14 6930.99 4637.49 7794.3 17622.16 6845.97 8687.32 7528.22 7607.6 6879.54 6604.12 3437.64 8488.01 7765.29 6815.75 7703.47 methyl (3aS,4S,6E,10E,11aR)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate 10453.18 10030.84 2604.52 24333.8 10471.37 27670.67 17933.38 6008.49 7282.15 10683.99 6009.93 20104.83 6541.43 61188.15 18941.37 5988.43 15189.38 21888.1 26121.06 14016.27 1902.3 1538.54 1505.25 2608.55 1008.43 1312.14 3344.23 1510.92 12145.58 5132.43 3231.79 26543.7 2140.37 3428.71 2663.56 1450.6 706.71 1005.85 2873.04 689.81 18129.79 12822.85 2410.17 5192.27 19418 24642.15 7815.71 1595.13 8404.44 88430.9 8414.26 8863.09 5960.29 10400.31 3428.91 3383.51 1773.31 3184.45 4470.29 1326.73 2562.52 1717.68 5242.38 2777.64 3618.07 3718.9 28558.32 2414.41 2529.45 1292.48 6221.43 13571.32 8529.92 5111.01 5711.21 8148.64 8139.08 8528.35 7760.7 8136.59 8142.25 7892.77 8164.95 7645.38 Dichloromethane 2628.41 3644.42 2993.64 3803.09 3719.05 2993.49 1447.07 2711.43 3451.83 3536.01 4341.51 2645.63 3058.81 2756.35 3257.54 2734.2 3443.95 4014.52 2772.86 2077.71 2936.46 2887.73 7176.94 3263.2 5256.55 4293.09 3643.83 4055.57 4349.39 3547.12 3039.46 3930.91 2459.69 3915.09 3589.35 4061.83 3153.34 3897.71 3790.28 2936.31 3112.6 3126.26 3617.16 3459.84 3990.75 2776.85 3268.57 3500.77 3599.19 3049.32 3686.04 2448.5 3348.98 3835.5 3503.32 4578.81 3621.16 3199.32 3082.39 4368.74 3244.7 3585.48 2779.62 1913.27 3044.17 3680.76 3452.57 3455.23 2508.46 3179.55 4629.64 4972.67 2902.85 2162.37 2419.33 3064.82 2976.4 2930.09 2970.5 2982.71 2997 2994.5 2957.82 2785.53 PE-NMe(14:0/24:0) 1400.67 5167.58 1345.1 3221.87 462.43 6011.23 722.08 5006.93 7705.62 2753.18 3905.92 1929.32 1370.98 6109.49 6896.01 3858.73 1913.36 4384.31 2383.52 5338.96 6941.91 11910.77 1754.38 1462.56 748.65 2918.41 544.09 1498.52 4393.56 6637.71 1651.03 3094.98 5443.21 8767.41 5707.93 4169.37 3345.79 1336.04 952.15 1009.32 2189.91 8011.32 4012.52 1021.42 7824.06 1146.6 6860.47 1504.88 4071.28 2292.44 2913.14 5604.66 2950.39 963.03 3227.28 8574.09 2485.89 981.08 5644.74 1883.99 2394.81 1080.11 7935.72 2052.11 2287.27 4027.16 2874.1 1857.54 902.12 6420.42 8045.98 5138.07 3327.36 5120.94 6377.08 3229.22 3817.49 3741.96 4579.26 3455.53 3526.88 3000.37 3463.97 3329.18 Methyl-D-erythritol Phosphate 3186.33 4634.17 896.45 2697.36 1676.38 1619.77 3157.88 3239.61 2053.03 2035.2 2099.37 2366.49 549.09 1110.77 4410.23 3668.14 2551.69 4912.04 1597.98 5134.73 2469.82 3102.52 1803.85 1462.65 710.6 3685.26 1622.15 2341.15 2623.94 1605.88 9629.37 5681.72 2947.34 898.7 1922.61 3344.21 2930.73 871.91 2615.98 2659.96 7259.89 4887.63 2922.85 2151.61 5627.36 2349.27 5852.57 3178.15 3443.73 6054.04 2369.38 4509.77 2064.56 2898.16 2059.05 2848.88 1276.23 2150.19 5472.23 4381.86 2283.39 1755.67 2946.93 3288.06 3480 2743.57 8088.3 1282.15 1219.32 4952.45 4906.55 3524.99 3720.6 2796.73 1024.38 3046.75 3149.18 3078.4 3265.98 2926.34 3250.06 3271.28 3734.31 3241.23 1-Amino-2-methylanthraquinone 77253.88 131546.88 5646.58 44020.21 5981.88 14955.28 4215.09 13273.74 36204.85 14056.36 12232.81 36075.86 151079.13 142898.61 80761.27 30092.28 57159.72 202528.94 129615.29 85439.55 4678.46 10887.25 4546.2 4090.57 3415.7 7293.01 2075.63 3644.6 44428.07 8572.38 40866.66 85553.26 5278.04 4798.92 12785.43 9519.52 4572.67 2035.59 3847.22 2513.74 87773.45 61010.15 22981.84 30467.26 141857.38 88010.33 49943.34 16186.3 32433.43 199392.56 69701.88 167442.63 20170.56 79031.21 73113.55 219612.56 10853.25 12992.55 5824.74 16322.48 23270.9 6824.47 55397.42 17993.55 25583.41 113016.72 245553.78 21868.71 26707.23 5529.05 37182.49 15935.65 20208.82 54181.68 38302.75 67080.02 63584.97 62313.77 68055 64253.7 65613.51 63335.55 60823.86 66261.99 1-aci-nitro-2-(1H-indol-3-yl)ethane 2541.52 6185.81 10670.99 15342.87 7204.75 8142.37 15129.3 8736.98 8648.42 9383.22 15826.14 17580.89 17356.22 14977.17 7232.42 12724.27 12498.08 5961.6 11548.48 4300.18 7201.29 5165.12 11740.07 12346.68 6552.4 3386.12 7102.36 12071.42 4445.42 6268.41 3780.69 9289.84 4218.51 10387.06 10873.26 5083.88 5452.94 2377.12 14004.44 10530.66 5348.33 8435.56 15407.71 16211.18 8687.38 15606.16 7234.58 13025.24 7742.36 12642.76 5243.18 6562.15 15744.09 14289.29 5631.83 5913.17 9459.04 11818.05 5694.8 4520.43 16865.76 16226.89 7531.84 17941.85 11212.32 9679.66 8624.71 17267.38 17726.03 7219.52 5516.82 14293.97 10799.25 16061.9 15396.42 11081.76 11071.48 11043.95 10929.29 11079.52 10918.57 10926.56 10861.53 11073.91 Trinexapac-ethyl 25682.7 19437.28 14702.32 28754.63 44124.59 41501.37 31786.55 34886.93 25244.32 33578.09 42492.77 61092.21 59235.69 41994.76 38236.9 49674.77 38321.27 56384.76 54550.11 69914.99 16327.6 5592.53 12859.12 14196.91 6377.62 8263.2 7346.68 16630.35 34773.85 23593.11 30158.1 54604.13 6746.72 13527.23 17186.85 22169.6 8096.04 2292.73 14984.58 10822.05 49345.25 30648.75 30402.57 26939.25 55018.28 42173.23 42828.48 30247.5 22008.3 67400.93 16141.04 39905.92 36672.14 36715.62 20169.62 33292.93 14936.71 23295.08 23889.08 24023.49 35286.16 18435.08 26072.71 42323.69 51183.36 34001.14 42224.91 32720.53 35876.12 24677.72 22604.14 22943.3 25808.51 41016.39 40505.05 41624.65 39772.01 40129.39 41617.7 48297.78 43056.7 41181.65 39942.3 39968.07 [(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] docosanoate 2537.03 9469.18 8926.6 7999.44 7694.8 6592.68 7613.47 7480.98 15315.31 12528.13 3755.12 1276.98 16171.97 10058.03 18719.01 2084.96 7894.51 8568.79 11034.88 15804.67 2632.51 2612.49 349.81 3261.38 2502.47 2264.18 4051.36 2047.32 2550.31 1784.26 2143.43 5921.67 3981.36 3930.94 3394.32 624.19 2090.47 1798.29 6948.45 970.54 5177.35 17924.25 6396.09 8069.6 10974.31 12279.31 16224.45 4612.24 11018.18 6253.65 14220.64 7730.32 4501.96 13717.23 3375.97 5506.6 3362.61 6468.63 8599.8 3802.42 5990.59 9791.09 7831.63 13084.77 7914.55 10674.92 19425.18 14717.08 12359.42 6733.9 15431.48 17829.83 11006.63 12620.39 14302.68 8478.52 13234.09 14426.47 14105.67 13308.18 13759.15 13529.73 14056.62 14020.76 PE(18:2(9Z,12Z)/22:2(13Z,16Z)) 5503.7 1895.2 4733.16 3187.31 414.3 5645.38 631.23 3432.17 6473.31 3177.87 1812.51 617.13 4313.73 5119.48 43055.17 2233.74 69810.26 20675.82 109535.98 5495.11 2375.52 1222.79 11621.4 2059.79 1447.45 3061.01 5282.38 1790.61 97526.16 868.55 1425.08 2289.42 2328.18 5995.95 3404.26 4536.24 5106.13 363.47 5153.77 1449.74 385 5377.33 5285.49 2365.65 1839.85 1252.72 9361.1 9620.88 6065.76 1033.21 8271.73 6380.83 1252.5 2994.68 2762.32 1840.69 2918.82 5073.1 3283.88 2232.22 2630.72 4772.82 6960.39 2591.9 2122.37 2399.05 3671.23 14081.66 2754.7 1462.23 343.74 912.93 2521.74 8782.26 4926.7 5246.08 1934.31 4285.24 5273.36 5267.32 5444.11 5081 5121.51 4664.97 Kikkanol E 1193.17 100.46 67.28 16150.71 35697.48 32203.13 56193.2 193.25 105.49 153.51 146 585.78 25174.39 2314.67 511.62 3338.45 651.8 256.95 110.4 60.37 88.71 48.93 81.35 83.13 237.93 138.82 1138.02 165.9 326.37 350.46 50.07 1485.68 67.62 1362.27 1779.22 180.49 129.92 276.39 78.82 454.8 30213.83 3985.3 152.99 144.46 292.11 33135.27 1069.63 2253.31 89.55 1417.68 1979.82 1244.72 499.44 2196.78 6138.19 133.65 77.06 91.64 450.25 2042.85 3396.77 1429.35 564.45 295.83 1561.93 2282.86 1820.48 2757.6 66.86 177.45 189.76 233.55 84.35 310.75 4957.64 15622.48 20192.35 19368.03 15141.39 16805.54 16226.35 15647.0 14968.11 14067.86 14818.76 14846.09 13537.08 12909.89 14564.27 14126.14 13460.46 14448.32 12657.62 14464.59 14049.29 13511.13 14173.91 12799.19 11984.48 10887.24 6065.11 6058.39 6083.7 6070.5 6069.79 6070.32 6012.12 6009.18 6009.36 [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] icosanoate 1686.93 737.56 5621.7 1310.12 2408.92 4516.73 908.24 4649.5 2168.97 1590.71 2611.32 4156.78 2126.81 827.49 726.08 14663.74 2500.8 1718.81 3114.97 1281.6 4112.93 2332.32 1580.49 2353.51 1277.84 955.98 449.9 543.89 680.8 1157.56 1192.08 701.09 421.35 2673.75 1883.91 2645.33 645.43 448.79 720.97 925.47 840.14 537.65 1622.15 1141.3 2751.63 4065.43 850.85 904.71 704.7 5165.91 1928.29 886.76 2266.14 4914.15 1777.37 1593.35 5984.8 841.44 1954.6 9877.19 1826.19 5254.65 8312.68 7566.88 3050.83 1951.2 2301.14 2362.75 4068.76 1368.15 893.19 1217.18 3425.85 3260.78 2070.44 2701.7 2593.76 2647.42 2473.68 2295.62 2657.66 2538.93 2524.67 2502.4 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone 57482.08 86857.45 31128.04 59202.06 32736.12 63456.58 29739.01 32075.2 41417.22 30577.45 33853.45 54665.68 111303.42 134310.11 83303.93 60593.63 51477.11 179827.28 91540.89 101946.13 23631.34 22610.84 17825 17086.11 14716.44 26362.45 10233.06 17179.18 34860.01 36199.42 84155.11 167515.26 38530.87 24719.57 19289.75 29663.93 17221.42 12256.02 16003.23 11946.9 113680.53 101237.89 37542.34 42492.17 158620.42 86345.92 63992 37596.63 48073.45 210116.84 69284.39 107098.13 39704.96 53661.38 71883.5 111275.11 27660.73 29159.65 25244.31 37728.64 17874.72 17305.38 57714.26 33317.5 38420.34 87034.52 212027.94 46021.37 51559.3 31803.92 30574.8 28487.23 25420.64 43244.49 32520.22 67126.19 67391.83 67431.76 66411.35 67383.6 66470.65 67404.79 64480.44 66426.56 p-Hydroxybenzyldesulphoglucosinolate 1225.23 2356.84 3307.71 2854.69 293.32 5006.13 4323.5 625.54 1273.31 477.15 329.74 2357.41 1817.28 509.55 417.88 492.66 761.31 1507.41 1248.62 622.19 668.11 880.89 843.67 363.86 319.56 837.36 946.07 874.21 950.52 1748.67 380.67 427.07 1482.41 1627.93 425.87 1038.75 1227.56 7056.73 380.66 1352.31 467.37 906.38 674.11 1572.95 537.25 1948.22 1148.99 5672.01 1524.55 502.33 1170.64 1056.25 739.92 2167.53 640.27 2349.91 4889.03 7007.94 309.75 1624.64 1844.32 1809.6 452.65 3174.57 408.93 1389.91 1204.23 1089.11 1599.11 314.44 489.38 2208.53 423.42 599.67 1739.98 2335.56 2030.09 2335.67 2384.82 2282.91 2017.54 2212.87 2338.31 2117.62 Griseophenone 28831.55 13177.71 28711.29 20023.68 6859.78 7390.88 5452.38 12164 2789.01 20085.21 14370.13 18030.28 8224.2 20541.75 18456.57 21939.14 20795.38 13270.21 9425.99 9153.14 20980.61 11338 26366.47 22617.74 39714.41 20921.5 17894.95 21072.57 14538.27 25709.9 19214 15530.96 28430.55 45028.08 37189.29 50315.43 26539.17 18739.17 29908.16 42877.94 12629.01 7779.05 21903.19 17561.96 9324.39 8204.28 11468.48 66598.27 23864.27 4095.31 22618.61 21716.41 27404.15 25220.55 19179.85 22949.92 23154.81 30458.7 12599.88 12588.35 24246.39 22442.72 21977.46 19783.94 14642.57 25332.96 1343.19 22368.87 24966.68 16078.47 1646.03 15343.87 24940.37 7441.67 26043.51 8671.23 8220.36 7715.7 7924.79 7975.4 6068.35 8851.24 8722.02 10388.82 (10S)-Juvenile hormone III diol 17944.35 41652.6 1892.14 27429.07 19791.87 28985.47 23959.11 36517.26 38229.48 15863.95 38697.92 24056.73 716.25 19273.36 93128.34 36116.15 72738.54 121244.53 41201.25 111767.64 12899.33 4357.7 2028.23 8390.81 2206.31 16421.18 2079.18 17718.98 2390.52 50816.26 16383.4 19733.89 52175.94 1287.18 8402.15 11520.24 30106.19 4094.61 7521.89 14393.06 75225.21 9960.6 15123.45 30314.71 34616.7 8578.14 67881.67 44536.45 1362.55 27705.63 14649.83 27896.61 6005.38 4479.39 38283.81 42508.92 20525.92 32184.6 120913.16 79815.38 41408.43 16892.14 51927.44 71886.56 133642.95 18413.87 51720.17 4456.32 29598.66 60048.91 128693.49 43502.96 65121.51 70279.98 53910.81 41358.16 44624.68 44151.25 44619.62 44636.35 46937.73 43730.05 43652.37 44316.91 Isopiperolein B 977.15 593.4 384.81 7441.9 11518.16 23325.81 19346.81 779.37 684.22 890.99 1629.96 952.08 6273.87 1250.19 1045.1 1769.69 1216.3 742.17 2001.97 1395.36 501.57 568.27 459.05 431.66 429.44 451.89 135.12 382.03 609.85 654.32 578.96 1760 494.45 727.35 283.9 590.66 220.54 397.1 354.03 421.5 11819.24 2404.55 528.47 770.18 1204.63 11652.04 878.28 464.03 843.06 2506.85 945.37 846.74 652.85 1303.37 3133.45 850.13 339.04 695.28 904.7 958.26 497.94 1213.96 629.8 599.37 1224.59 965.93 381.29 678.24 765.2 602.05 826.11 1514.87 578.57 774.9 2127.91 3114.21 3017.44 3242.36 3284.29 3614.82 3083.06 3087.79 3239.16 3176.07 16,17-(3',2'-Quinolino)androst-5-en-3beta-ol 126.01 113.91 300.27 2091.93 34347.83 6086.45 5443.1 529.31 249.74 95.6 114.05 446.01 1625.37 93.11 225.69 858.36 249.69 803.01 808.27 275.45 321.94 125.09 91.84 330.79 275.51 119.93 126.36 235.67 124.06 399.37 78.82 264.9 160.54 351.52 341.55 189.07 174.1 156.83 480.93 455.59 7813.46 1066.88 449.92 518.25 133.09 151.66 379.58 273.91 409.22 682.2 197.86 692.89 153.88 461.85 829.38 166.69 127.94 485.99 431.03 1575.07 162.33 243.97 176.32 764.59 87.99 473.12 122.84 128.74 367.31 1062.91 689.38 129.02 940.75 609.1 525.99 2382.63 2370.31 2461.77 2368.53 2489.84 2411.18 2369.14 2367.76 2367.72 PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) 6106.02 3938.15 850.77 1856.61 4045.31 5421.11 2008.01 7272.14 3005.17 3001.35 1519.56 13040.01 5624.27 6284.88 19982.03 4520.88 9123.21 7234.58 42790.21 15277.17 4419.89 1374.74 2324.21 1889.55 3207.85 898.23 1208.7 2133.43 16113.55 1510.73 2239.02 15440.52 11438.15 1909.61 1705.92 4066.65 3802.62 1095.76 2543.86 545.28 3684.05 7757.08 4459.13 903.44 5186.02 853.72 7779.93 9268.56 3851.21 6527.72 4066.55 5040.11 3107.41 2002.58 8609.26 10110.76 1402.43 3056.11 15313.84 3471.96 4485.92 2253.75 3622.06 4697.81 8793.48 10093.49 5754.23 5976.74 3341.35 8418.02 2940.3 15939.12 3472.35 6477.34 1945.34 5940.77 3403.95 5911.31 5941.51 5538.66 6251.13 5907.4 5592.56 5193.05 25-Hydroxyvitamin d3-26,23-lactone 16340.89 22071.06 3831.74 2876.61 41214.49 9973.04 15578.01 34933.47 38120.31 4365.29 9760.71 28437.71 4866.94 6222.02 21364.84 9972.3 7178.65 26464.46 16584.3 27918.66 53781.96 11800.24 6334.18 5544.29 38365.59 33955.89 639.91 5739.71 4815 14884.78 34794.86 25125.12 32208.66 571.42 5798.79 32026.88 24394.76 8640.9 6261.89 5962.75 24485.63 44284.26 6623.99 6740.38 48461.87 892.17 44719 33797.27 8828.45 13404.24 23310.04 25581.87 6564.25 5659.24 33872.79 29219.34 3598.37 4062.32 45360.86 17861.97 725.12 8051.39 37497.14 8427.99 7691.96 29886.33 37087.77 7224.16 480.3 37018.04 30930.83 1650.25 4217.76 7339.06 7355.03 20032.25 20202.29 19987.96 20186.66 19986.66 20200.03 20204.05 20694.02 19929.92 5-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]benzene-1,2,4-triol 15783.5 17823.84 18038.96 15985.95 1036.4 4365.05 10615.65 19649.64 6761.77 23242.26 26642.6 20985.74 23695.06 27819.82 13052.17 16989.38 24907.32 15824.24 23244.6 878.59 10941.53 17085.95 23198 22320.68 15995.69 16240.27 20192.49 23353.33 16153 6472.98 9390.77 22721.09 8644.12 23962.74 21880.03 18532.71 16356 8650.37 25448.12 21210.17 745.42 16014.91 24543.57 26178.64 15868.88 21138.79 13181.16 19739.6 17376.53 20118.59 17130.51 23020.72 23467.64 25163.07 13851.54 18671.34 21261.3 22992.44 13754.68 8168.79 22639.45 24130 17230.75 20120.45 17721.81 20849.92 3630.84 25433.61 22088.4 8439.27 8058 24112.6 25054.03 22565.22 26350.08 16779.51 17039.37 16905.64 16604.69 16659 15843.02 17041.34 16801.09 16637.62 1-Tetradecanoyl-2-hexadecanoyl-glycero-3-phosphoserine 9227.9 6921.37 4295.23 77046.31 1389.32 30847.16 3318.44 2693.49 3367.32 1345.95 3426.56 1968.32 791.15 1703.36 12163.15 8823.38 6413.89 7787.48 4802.51 5771.87 1546.35 637.31 2826.22 740.78 3239.39 999.73 843.31 2829.66 2701.63 1813.73 839.72 1037.45 3381.67 6198.33 786.35 2128.34 5085.62 3209.79 594.16 2520.34 49900.7 1406.63 4357.38 7474.58 2693.88 24522.18 6567.79 3212.54 972.84 4298.69 3052.86 3913.56 3445.31 2033.86 18918.18 4859.5 3627.16 3066 5565.56 8222.69 4180.23 1151.71 6198.37 1831.02 4632.93 2583.96 3275.94 1047.56 4075.54 3849.74 5660.29 1885.09 6307.94 5319.58 2754.41 2946.76 2978.22 2747.54 2584 3274.53 2801.1 2962.31 2789.48 2941.92 (4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid 1013.17 196.04 512.54 7993.57 33774.96 11050.08 13906.01 483.06 135.77 386.03 296.44 254.24 16897.13 238.52 619.25 11452.61 14581.91 1702.88 681.68 428.26 1314.38 280.4 2463.06 697.15 227.82 219.82 1079.13 582.62 4877.61 851.5 740.68 790.79 306.35 2921.55 8579.3 1243.41 161.48 746.4 4066.52 1866.06 3721.84 1837.92 194.85 388.22 156.44 32536.75 2321.64 2931.31 2437.01 7031.93 2536.93 444.16 4157.47 9214.66 3567.61 2029.89 502.82 256.91 1086.28 3022.53 2347.19 1281.15 1724.54 1866.13 2755.34 1314.83 296.75 10535.2 467.65 2421.41 368.74 1380.62 2986.04 9942.38 14222.37 7748.66 8122.17 8124.54 8128.71 6902.84 8134.83 8091.12 8196.15 7942.3 (2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan 1834.55 3763.08 1574.16 1719.35 1324.73 1563.23 1840.6 1906.61 2023.69 1985.42 7136.81 611.5 466.4 3481.32 1105.49 2050 8217.87 1629.3 2152.39 1627.23 3587.42 2354.14 1409.1 2969.87 2808.03 4664.18 5169.54 1568 2438.14 2704.34 2098.27 888.42 1378.17 1735.92 3798.32 1075.3 12786.5 2408.09 5359.03 2599.78 1855.55 1029.17 1778.13 9246.02 282.43 792.19 2230.87 1647.03 1111.62 1010.68 1109.76 4570.36 3189.42 3329.54 2470.05 2695.56 4197.01 1350.31 3853.6 1388.29 2316.89 4925.6 1421.8 7806.15 11575.66 3080.73 658.22 3228.48 3402.42 1943.17 2085.17 8400.22 9926.1 11221.54 9605.01 4305.61 4446.03 3857.82 4257.44 2124.82 3786.01 4495.76 3672.35 4269.84 PE-NMe(18:0/22:4(7Z,10Z,13Z,16Z)) 3354.49 1417.91 888.47 1364.48 2455.58 687.52 1356.03 7259.42 4730.68 2111.11 898.68 4148.01 945.62 1642.79 4642.92 2143.95 1480.78 3645.95 935.84 1376.51 3096.45 851.45 1801.64 927.48 3557.57 993.39 394.78 5115.29 1355.11 1379.13 4755.94 2720.07 969.06 592.86 1122.09 1020.59 2819.29 814.99 1610.27 5628.11 2977.25 4041.08 684.51 1250.05 7039.71 499.11 4043.8 2290.69 2062.76 2235.7 8798.47 2143.54 659.31 1860.13 6969.53 1441.74 355.72 1574.27 5172.46 2217.08 904.86 415.72 7130.1 477.44 472.45 8624.25 7783.12 854.83 1618.13 3601.02 4726.09 1147 2308.01 539.49 515.13 3015.14 2991.75 2998.88 2735.96 2648.55 2585.1 2994.74 2555.81 2978.36 D-erythritol 1-phosphate 2261.47 2401.7 3942.53 2497.59 1377.36 1888.76 4322.7 1180.43 935.98 2354.48 2573.3 1937.44 3238.01 2144.16 2821.16 2810.57 3558.01 2158.79 1054.17 1250.24 2778.26 1220.36 2072.75 1632.18 3758.66 2833.33 2113.06 3411.42 2455.32 2671.12 1289.55 3096.82 2416.77 2352.37 3004.52 2573.88 1940.43 3508.11 2895.82 2299.12 1769.15 2755.47 1576.11 3177.51 1372.24 3267.07 1828.92 4436.91 2685.43 2060.39 1783.93 1303.97 752.27 2159.52 2475.32 1621.1 979.23 2671.52 2530.35 2583.61 2522.41 2147.23 1174.41 1228.17 2051.16 1496.15 905.74 2090.18 1622.32 2494.52 4505.36 2147.83 2205.04 2154.65 1804.44 1804.39 2024.21 1580.41 1684.57 1553.07 1834.11 1787.88 1835.8 1837.23 Lucidenic acid M 11523.84 8113.39 2088.26 2294.61 50898.43 15428.87 1270.07 23420.02 20898.46 2150.59 930.12 14088.57 1439.22 439.37 21945.09 2937.75 1056.33 11646.86 1470.38 21311.32 31226.95 6341.73 1634.14 537.55 6399.91 6321.78 2346.05 3762.55 16202.01 6459.62 2811.61 6919.12 12994.09 370.31 454.88 8342.63 7100.79 3492.08 400.07 2438.69 14939.98 26291.32 3305.08 511.79 21187.24 3889.64 32520.82 17612.04 794.55 1571.69 13997.98 5088.99 4111.42 3858.32 22939.04 10551.15 2053.89 1800.25 20604.76 7120.8 3248.33 2076.37 27702.55 359.14 5062.64 11728.49 8779.5 1128.83 986.95 26229.98 17989.53 1645.96 660.76 4780.02 452.75 10606.89 10923.23 10675.89 10675.62 10633.35 11630.83 10622.83 10255.43 11257.86 Cinncassiol C 18807.54 13205.72 4037.23 5096.67 9514.61 18627.92 12033.98 28684.83 13119.05 23449.34 13254.24 37662.5 29154.92 18539.81 26069.9 14885.63 10579.8 49077.41 22979.28 40925.77 7183.87 8174.88 12119.62 8221.52 13928.84 6884.76 6587.55 14008.71 27250.57 19823.32 16378.77 24182.19 11490.36 10368.75 5339.84 19043.03 19327.73 2562.6 8742.49 2113.25 24825.48 24245.79 16639.15 17849.16 33852.38 12890.76 38517.13 18553.26 20434.93 13503.41 10238.44 10003.05 12476.1 17749.93 9803.24 7678.18 4482.78 6917.03 16472.89 7340.49 9990.8 10361.63 14077.09 19071.26 10910.76 28594.82 36756.99 10903.69 15925.81 19883.74 14063.32 19311.01 26222.56 20816.18 16524.91 14228.64 10367.15 14525.43 14351.97 15611.68 13720.01 15583.34 15399.09 15422.28 (3-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 16379.5 12876.72 6333.17 11675.33 9784.7 17241.61 17566.2 22520.56 23532.89 19737.89 19677.45 16644.45 13557.13 15559.78 20374.07 15809.62 19211.58 17902.98 16131.14 29654.29 13952.04 10649.92 5530.46 8043.68 11834.15 8904.21 6079.18 10959.52 11548.45 18606.89 10467.04 6527.99 9630.52 5061.85 5595.03 11306.75 15173.35 3011.57 16951.78 8730.32 24942.88 15349.45 12628.76 20258.41 17166.13 17378.5 24507.88 16736.91 11730.96 15055.33 10468.47 10490.15 8843.7 11179.18 14689.39 14699.99 7544.74 11124.42 19646.03 21121.83 15349.74 14337.22 14847.11 18357.5 24552.98 14163.64 21883.6 21970.27 24543.82 22082.13 29273.39 24369.83 31847.64 25261.51 26661.34 24750.85 24691.6 24591.28 24323.29 24591.21 24220.73 24364.11 23167.57 24318.16 Pyrochlorophyllide 13437.24 13843.02 4878 6917.47 5459.07 11952.17 12748.32 3362.56 14784.15 17730.95 39645.28 28916.16 30550.82 29325.32 12189.96 26903.74 23878.62 15557.55 26813.23 5482.37 14503.53 1466.84 14199.32 11564.33 8178.43 875.64 5129.22 18511.11 17661.52 3373.76 6934.3 19387.98 5267.93 12794.59 7877.62 8798.52 13734.4 957.67 17534.96 6454.86 15325.7 24619.53 30824 18078.71 25767.48 17906.66 35102.84 20126.26 18929.38 37369.69 4679.13 24941.04 30525.02 23040.39 4307.53 18322.38 10569.13 10753.87 23129.09 3997.61 16064.09 12758.75 6259.16 22357.8 22421.81 9934.45 6645.78 23767.45 17604.27 14078.63 10167.77 32605.06 22837.81 29593.24 17051.74 20629.64 20815.68 20517.52 20639.56 19257.86 20223.92 20635.15 19392.39 7526.68 [(2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate 272872.71 356146.75 163705.63 343894.36 450561.81 1424738.34 231138.83 252692.45 402030.44 333131.67 353363.04 392653.28 561661.69 580404.57 341170.96 491110.18 374861.51 886572.5 590813.68 1043077.61 112225.3 227611.34 147109.73 142843.66 94671.03 211276.87 48031.11 115496.13 289805.2 140630.4 333580.71 586116.5 100333.85 225777.67 137481.8 152354.55 96251.07 66339.55 162400.98 103947.27 572718.77 361790.62 205864.84 244576.71 839683.15 459295.99 344629.96 154065.66 186191.03 807349.43 321395.69 561757.91 206092.64 383581.37 289147.22 539224.05 136156.05 228075.45 184980.88 434479.69 177296.76 134382.39 353885.42 277919.9 374183.88 539041.12 1100075.49 213510.7 266800.8 189531.04 255385.21 232478.03 303535.74 348414.34 352464.42 432450.01 432188.16 405244.42 451696.6 428715.83 424630.84 432339.81 420197.55 432432.98 PA(20:3(8Z,11Z,14Z)/24:1(15Z)) 39447.9 9610.9 7240.98 6438.26 16820.8 2254.12 725.44 19479.95 20507.48 10336.38 34899.81 17245.34 20312.46 17716.46 15381.51 23224.23 11124.69 4437.42 27766.39 15296.89 12465.13 673.41 11543.43 11496.8 7796.15 1885.35 6338.65 20071.16 6998.35 5561.18 2734.86 20085.85 1930.66 14006.78 8554.13 8386.92 12974.22 2672.49 15065.25 6365.13 8308.92 23021.1 10784.03 13098.09 19575.75 16596.09 14626.19 13561.52 25853.52 53334.35 16210.91 7611.36 14750.78 22626.93 18642.84 5689.21 3983.16 10220.38 11822.65 3273.28 12444.43 9945.19 6157.76 4195.65 9106.4 10398.85 12394.17 6119.79 7633.13 19825.45 10581.26 11263.43 14994.02 12758.62 21367.95 10864.68 10541.19 9473.74 10412.1 10870.91 10937.97 10855.03 10280.19 11013.57 Salicin 6-phosphate 14548.97 8289.35 4959.08 5775.41 2638.77 1438.32 10252.89 7107.38 2755.97 2869.79 9978.99 1390.29 3416.48 7132.39 9861.93 16390.92 10840.44 2146.83 619.26 7066.4 8260.52 4908.03 8127 4202.82 4757.88 5635.16 6581.46 7223.26 9494.1 8501.04 7751.28 7563.59 2914.62 5543.31 4437.47 11207.45 13130.6 557.09 13779.95 2053.24 7279.34 9980.82 7722.52 11632.91 3007.71 11147.94 15244.89 17402 7802.8 695.75 6693.97 12161.52 8191.72 8677.84 11268.76 7524.25 8089.03 1409.88 13321.88 8367.72 14419.78 10798.45 12315.62 11960.11 6587.26 13565.67 7846.28 5605.83 9730.94 14959.67 13469.58 7886.59 23306.68 10653.36 26671.44 5100.22 8192.14 8221.54 8589.81 9277.33 9200.52 9182.51 8536.61 9551.69 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid 696.18 585.2 3531.77 2448.08 1271.9 2313.2 1515.58 2658.84 5730.52 2279.39 3606.99 1347.59 2017.43 3819.54 4194.6 15449.22 2361.14 3629.92 1581.34 2529.7 1037.33 1420.69 548.61 1697.48 1574.57 687.61 542.14 2341.97 778.64 1908.44 1287.87 996.06 1486.93 1465.13 1408.36 644.21 2004.16 1462.88 1824.14 1082.22 2852.57 1106.31 2105.81 2501.9 2207.04 1363.37 1268.6 1122.62 967.89 1225.97 2081.53 2174.08 1773.25 1969.43 1045.96 1527.56 11144.71 11676.3 23824.42 14421.43 18898.71 16912.95 15455.94 18931.26 16019.07 15042.88 18057.59 15424.27 19280.84 18625.18 16662.91 13107.89 12679.28 12198.22 8153.12 2010.14 2001.3 1877.86 1114.71 1373.84 1946.45 2043.28 2061.83 2244.89 {4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid 8762.88 8734.82 10083.15 30811.73 16695.31 14543.25 17618.76 14073.04 16917.22 25621.69 31988.35 28956.91 23155.77 19487.35 26429.7 39521.83 28223.27 30150.31 46559.15 46394.47 5885.53 4072.29 14709.77 2996.31 3029.31 3423.19 1994.94 3282.6 5440.32 4934.01 5720.21 14533.78 2296.46 4441.03 17776.96 3995.2 4394.39 857.5 19106.19 2201.85 22875.55 25203.7 19482.5 23135.61 33137.92 57720.42 21716.39 9324.16 15041.17 37482.59 8037.07 14443.93 17013.28 27807.42 20480.69 16367.79 10253.54 16470.61 14325.67 13365.83 19548.09 18597.38 10684.53 41348.96 27440.49 14620.04 28115.03 24311.88 30835.17 23719.91 22466.7 31464.41 30666.5 51543.62 42083.56 23510.12 21936.23 23471.81 21606.65 23986.02 24762.56 22282.63 22340.07 21910.05 [10]-Gingerdione 11838.72 10411.95 2933.46 3186.87 8018.31 2797.41 1120.48 7119.89 6797.05 5148.94 6799.5 9530.35 12335.3 989.03 6938.81 3685.99 3496.48 8608.49 2871.94 8525.9 3142.62 2591.03 9338.32 8157.06 1136.3 1787.38 1289.24 691.21 5115.72 6941.86 16467.85 2840 1284.79 1351.91 4042.98 1136.79 1205.85 922.65 3677.67 1961.71 16989.45 7787.37 4037.51 2962.47 27963.27 2419.41 1618.3 2400.15 10371.81 26747.12 2478.55 9424.31 5548.67 13061.22 4755.23 2192.5 1687.17 1935.64 1243.79 4330.33 1083.18 1230.65 4561.83 1638.55 2148.6 1307.84 747.88 2254.35 1846.17 3374.02 3190.82 3907.95 17593.94 2843.87 3976.79 3425.94 3359.01 3736.42 3362.94 3429.64 3590.77 3674.5 1655.72 3670.78 2-[(7-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid 13873.05 13984.31 6799.46 12725.67 12665.95 31122.98 16724.67 21576.46 18826.43 16532.74 17495.05 13416.96 17091.83 12999.08 26408.02 18752.92 15276.23 26934.02 8170.71 26586.26 12080.22 9731.04 8429.46 7885.33 10349.65 4468.36 4916.33 6202.97 11188.63 9509.77 8636.28 5043.52 9730.3 8566.32 7948.82 9991.75 15585.44 3866.99 12024.35 6922.87 24321.48 13027.87 12661.34 8346.14 25780.38 10226.4 24759.16 9949.73 2012.25 21460.33 10003.97 20741.93 14898.27 14606.31 11633.59 18707.14 7477.29 9405.4 23098.05 16862.53 12395.25 11968.49 18764.12 16868.04 17197.58 21364.35 30566.48 7466.78 14798.72 23671.77 16187.03 17281.22 11601.84 13350.32 17102.43 15956.59 16261.95 15621.93 15502.53 16268.86 15124.16 15619.12 16293.6 16331.29 PA(18:4(6Z,9Z,12Z,15Z)/15:0) 1001.2 514.4 605 4822.58 6476.79 5612.08 4361.46 680.96 147.98 372.73 298.91 636.08 984.39 887.74 116.2 1136.47 842.68 505.13 1336.18 240.88 746.87 196.71 618.75 450.67 219.15 278.9 251.93 287.46 286.94 144.58 630.01 244.9 345.45 288.72 380.04 486.98 345.65 326.91 464.03 600.12 5728.16 758.47 626.36 1649.58 340.04 867.21 532.09 1018.58 723.49 540.08 602.89 152.71 426.74 686.58 799.13 1679.94 413.66 481.69 987.18 1471.26 1322.22 699.57 314.03 216.07 470.24 697.13 677.51 299.39 814.99 818.41 688.74 173.98 538.65 928.45 1313.09 2236.85 2148.73 842.52 2206.71 2421.98 2165.91 2748.21 2475.32 2406.75 2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one 10084.85 15871.68 718.41 15719.42 7989.24 14337.68 10772.64 4397.98 5838.96 6520.19 2391.9 15425.73 36512.65 38129.4 34690.38 7349.23 9784.2 64853.9 38967.04 9303.56 2761.81 998.18 2883.81 1017.8 1818.65 2834.41 1117.68 3463.35 7838.78 4479.17 10474.73 16655.24 5900.64 4895.83 483.65 1036.09 1574.28 1864.28 2225.19 1445.05 31138.75 14760.81 2237.71 5742.75 25163.21 13376.14 10924.63 4410.61 3828.3 62421.1 6298.31 15795.18 2619.65 6332.49 7104.82 11936.92 1222.96 1238.78 741.44 906.42 724.52 476.46 4462.46 2874.36 3539.34 16170.95 56577.57 3374.05 8137.89 1328.61 2955.41 4924.17 1902.7 14743.62 4620.65 6464.01 6974.4 2732.35 6975.08 6906.62 6502.66 8788.81 6399.54 6686.77 Lactapiperanol D 1105.85 215.02 266.58 23577.65 78672.06 47339.27 36795.34 210.27 477.93 534.44 374.68 1898.3 26799.73 2142.63 230.81 5696.33 3102.63 367.15 1290.23 272.57 341.12 154.56 182.27 219.56 240.99 61.14 1180.19 954.78 265.49 1221.95 98.83 2025.28 227.47 1160.59 368.3 180.05 197.28 163.75 348.06 703.03 16424.56 5591.09 258.97 112.98 287.14 68451.04 1272.93 254.53 227.69 2708.44 3079.27 286.16 621.13 4528.3 13434.06 384.22 407.48 197.48 1277.65 2846.46 402.08 2630.11 1682.24 457.19 722.2 3772.96 1739.24 766.65 566.89 161.28 367.95 554.5 58.4 1551.68 6304.36 9447.79 9341.61 9339.63 9418.14 9520.46 9348.73 9342.23 9068.18 9340.36 (S)-3-Sulfonatolactate 28891.29 22806.99 15724.36 16150.87 7719.86 3165.78 23780.51 23426.21 33880.28 17683.73 44603.19 17575.2 2439.67 11682.73 32067.2 13144.03 5630.21 33365.2 29463.12 21794.06 62814.8 1778.13 14637.05 28200.83 26455.97 12326.65 27208.21 18157.52 47625.65 13002.35 3821.91 20039.17 71345.19 10583.87 20238.57 26393.46 44046.37 11656.86 25990.18 114379.29 14465.81 31724.9 48308.21 19448.18 34568.48 21588.72 38518.62 24533.14 10186.97 33268.97 19006.75 42719.45 29458.04 62783.25 30063.28 11970.69 3844.21 21009.65 30141.92 2276.93 9681.3 2683.13 43197.41 32986.47 29773.43 12977.39 42944.41 2221.58 5490.71 35447.95 37103.25 10613.72 45521.86 35923.33 22415.23 21060.17 19995.59 21151.68 20590.79 23025.84 20370.44 20387.31 17511.17 21070.67 Aziridyl benzoquinone 96289.33 36985.32 7786.92 18674.93 44522.63 176083.13 37284.19 42371.58 35912.58 31133.29 17496.88 54522.8 41949.07 38325.42 41809.38 6858.34 21234.54 47371.23 37956.79 133775.76 18311.36 18079.65 16864.59 5499.76 12704.67 12336.94 4155.93 7290.14 18718.51 16493.58 14908.55 85831.52 4426.84 12864.26 3991.31 13774.2 9029.41 3091.78 17404.14 3888.61 189764.04 171393.87 16919.11 21997.34 141861.73 52121.55 26547.87 14865.85 62012.72 90458.86 95015.5 36426.48 14937.78 27552.54 76843.75 37485.96 3630.65 7119.36 30011.15 24670.66 16661.33 8011.73 39125.7 7998.23 13744.97 114780.31 180435.89 18529.06 16234.8 20273.78 33326.79 33778.23 18681.13 32224.85 27554.64 54015.18 55184.63 15537.09 53898.41 51095.7 49141.95 54899.16 49853.29 51327.9 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one 8325.06 6578.87 13704.11 11211.62 15066.68 39852.19 20497.51 11332.64 10133.9 11927.07 17810.22 22483.84 53470.28 12281.06 10806.82 17594.49 47164.76 10511.93 61243.34 25029.06 6816.25 12005.92 22178.9 15522.22 5616.62 3741.24 4755.87 22303.65 8054.32 6465.78 1351.83 20454.04 6305.26 18334.1 23503.7 6168.58 5250.31 2689.17 5992.39 14869.95 6140.59 13495.1 7121.83 7919.74 7302.14 13317.59 9495.35 9066.21 26618.37 21190.93 9760.79 4974.84 7229.69 9638.94 10521.05 11297.76 10314.29 13848.89 9666.1 17940.54 10412.8 13132.5 9508.66 30427.52 30778.48 4593.78 6606.91 38015.39 13657.92 8964.19 19488.25 34299.37 26206.78 39681.54 59864.49 42284.61 41952.86 42569.31 41955.97 42711.11 42300.68 41951.12 40812.66 41945.25 1,2-Dihydroxynaphthalene-6-sulfonate 10451.82 13231.71 6207.2 11810.84 2256.64 14185.68 8928.83 8427.51 7808.84 2888.46 7369.72 13037.73 16280 21039.45 20209.65 13760.55 14952.04 26639.31 15389.5 40666.51 3374.86 5798.66 3274.63 3995.51 2738.45 3502.35 1951.81 2921.09 10199.45 5640.32 15235.96 28497.25 2775.6 3273.21 2973.04 7132.81 1193.29 2057.38 3354.02 2383.86 36852.37 17426.62 8300.1 10587.86 41319.92 29051.67 20720.56 12141.57 8988.59 42307.22 8829.6 18742.75 8693 13331.67 12447.24 17986.83 5222.02 6970 1368.66 7141.41 4021.07 2338.13 12841.06 11062.32 16194.06 14797.13 29479.89 7488.06 14000.89 2598.41 8073.36 6004.08 5694.05 14353.49 10545.34 17380.88 16300.99 17177.73 17396.18 18388.32 17139.04 17018.24 17138.57 16908.3 7alpha,12alpha,26-Trihydroxycholest-4-en-3-one 3369.09 2391.57 950.06 3908.4 2871.16 10084.17 1421.58 4059.44 5840.94 17328.89 5310.38 3917.85 1654.19 21654.4 27092.94 5286.1 14375.32 11701.4 22072.64 9568.18 3993.03 3043.22 1240.89 3336.44 3094.77 1852.12 686.04 485.8 3719.71 855.38 1550.26 3302.73 1234.37 2049.57 1927.8 1614.06 1889.63 3301.2 1101 1211.46 3926.12 2220.62 1161.71 3546.37 7881.57 4804.35 1968.62 2340.57 4954.23 7511.26 2200.32 958.85 4313.89 2217.64 1215.35 3300.47 2069.26 4494.72 3299.55 1554.09 2261.72 1031.62 3766.51 3663.42 4939.63 5397.38 10635.92 6501.41 4057.44 2335.11 3087.29 2887.21 2635.62 8610.2 5620.88 5279.85 5163.89 2284.35 4902.71 5331.77 5306.23 4922.34 4987.76 4994.5 8,12-Diethylbacteriochlorophyllide d 644.53 297.03 492.75 3754.84 667.35 617.4 2221.61 738.27 184.45 800.38 312.95 1222.66 814.71 304.3 727.66 708.3 842.26 823.76 1220.95 862.87 354.39 355.12 472.45 724.74 356.18 505.97 468.05 488.22 532.51 427.14 824.77 495.68 439.5 1147.18 555.46 634.83 306.8 214.59 395.92 996.68 3345.78 763.27 497.72 412.84 598.23 1494.54 727.28 368.79 550.68 624.02 358.49 392.62 738.11 757.26 2294.34 584.54 760.29 368.02 707.22 1773.07 335.82 1286.87 596.6 522.84 592.89 299.99 485.89 626.52 290.01 222.88 604.15 318.17 644.5 573.69 406.11 1703.66 1701.3 1704.89 1757.19 1699.23 1704.49 1545.45 1755.32 1838.83 Riesling acetal 10305.13 11401.44 9407.36 19206.19 9844.19 5208.12 3854.48 25143.51 13292.87 24249.62 29430.53 32362.87 41975.74 30854.25 6356.17 33738.94 22516.63 12867.76 37203.96 4303.98 9526.59 6010.98 12856.6 8590.58 7189.89 13203.4 9330.16 14640.84 17559.95 3081.07 3626.9 28777.3 7425.19 11116.78 11642.06 9484.23 14528.32 1896.91 15992.05 4646.77 4771.65 6865.42 18379 19594.42 11867.96 9967.28 9010.64 21212.86 18365.26 38545.38 13994.84 4835.23 18649.61 19997.81 11790.42 17229.23 1684.15 4666.75 16460.91 5867.6 18498.69 13047.6 9570.83 27860.31 26187.99 18885.33 10673.11 23793.79 26113.39 19826.22 22511.68 26595.51 27604.32 28492.48 28917.83 18985.08 20335.17 19256.61 20374.99 19291.51 19623.51 20291.73 20314.32 16972.38 Dimethylpropiothetin 4203 4182.21 1744.46 2285.72 6600.95 2436.73 3414.37 4387.85 11107.19 946.56 3971.9 4049.03 3971.5 3549.82 9346.51 5962.07 4325.08 6664.85 3345.52 16016.16 4414.07 3407.39 2571.88 2702.27 2722.58 2704.93 1495.91 2538.87 4280.75 2145.49 2854.07 3795.27 2956.93 905.64 1805.35 4730.3 3911.57 1129.15 3299.3 1380.59 3557.91 4850 3234.55 2955.48 7073.27 3471.05 6352.46 2849.49 2805.11 3745.82 4259.47 4556.62 3654.13 522.93 3986.51 5810.44 1160.64 2232.28 9757.24 2800.1 3249.03 720.46 3290.76 3747.94 3820.33 6307.91 8631.72 3386.12 4116.3 6868.78 6545.3 5179.59 4085.82 3377.17 4867.03 3757.73 3835.28 3749.91 2588.05 4060.03 3694.16 3049.43 3768.18 3508.86 3,4,5-trihydroxy-6-{[(16S)-5,7,11-trihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-16-yl]methoxy}oxane-2-carboxylic acid 3836.43 8525.67 1215.55 654.4 3281.85 435.24 2118.78 6285.32 14492.76 10316.08 707.1 2147.28 1320.1 995.2 8134.9 2448.97 3305.12 9348.98 11319.98 22515.77 2612.38 1531.73 562.26 620.68 2245.35 5706.92 398.16 1726.78 5345.52 612.82 2136.81 5684.56 13561 261.18 267.85 1592.74 4787.99 1071.99 280.75 1815.22 834.72 2744.57 1282.69 1332.66 2834.94 312.69 3009.54 916.96 2015.99 7489.94 3629.73 3017.31 2030.22 1945.51 5352.51 5726.55 3475.75 1511.06 25394.45 3056.54 1165.18 845.91 5279.4 1497.94 556.03 4872.95 6414.97 344.46 1697.2 8316.82 13479.95 3182.51 2845.31 554.92 790.82 6308.22 6653.36 6378.08 6511.48 6125.82 6639.71 6712.83 6709 6630.74 (4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid 4451.72 3317.65 4182.89 4163.5 7262.2 3056.19 3043.52 5982.48 4937.84 3573.8 7013.18 5232.97 1458.61 2758.5 5600.42 2664.61 1252.38 5762.54 5832.32 3216.76 2707.94 1133.38 2777.55 5277.21 6936.42 1270.83 4218.32 4116.18 7340.88 609.54 1214.93 3592.32 4833.8 3788.23 1357.69 5620.68 6038.62 2182.05 4229.36 4793.74 1521.02 3609.94 3325.72 3512.39 6236.7 5695.72 5144.79 4420.46 2005.24 4750.44 2102.89 3262.58 5636.79 5936.24 5721.05 2470.24 2578.76 3230.01 5588.32 991.73 3069.18 1217.49 5976.64 6123.58 4854.5 3594.69 4095.65 786.26 532.41 6087.61 3231.66 2690.44 6178.46 5955.69 4861.12 3644.04 4071.74 4239.22 3810.6 3771.22 3688.28 4023.85 4228.24 3665.07 Bisosthenon B 18445.73 30881.45 19915.27 20741.08 4948.64 8739.61 12835.03 14303.78 5811.74 28885.99 22593.23 23388.23 25395.79 31605.94 34696.95 20534.71 27669.32 10722.12 29338.64 17513.82 3422.8 549.9 27998.75 28656.73 29967.67 21371.79 38380.58 30598.57 28813.45 773.44 9761.31 10176.94 23903.26 14900.31 16611.41 29926.87 30501.44 13666.93 27985.67 35585.13 2517.29 8494.12 30890.69 27305.22 11720.96 8057.46 23091.17 44604.22 24795.41 25912.51 19226.34 26792.94 22507.12 23260.47 21995.07 37585.78 23775.32 33129.66 18781.46 21928.6 26844.73 32975.46 25426.9 18660.56 35010.73 20756.99 16458.56 34437.23 34391.23 20684.13 15549.33 40281.8 23977.62 29063 27341.61 24751.71 25556.43 24205.74 25024.67 25024.09 25033.53 25031.14 24754.9 24970.21 Ubiquinol 8 6029.54 11123.13 50565.9 26539.16 12010.59 1348.79 8561.71 26012.95 16852.5 8187.69 14592.33 15608.32 12558.11 10217.62 32247.5 30019.29 51044.67 10357.49 80142.4 6305.34 20054.49 8260.32 54839.77 20493.14 18455.43 858.29 4045.67 6041.87 74118.73 15226.72 1023.71 11695.81 27704.23 19412.31 13617.43 24838.31 11753.73 1129.92 14562.59 6345.02 4248.93 4586.53 29228.27 1954.63 7460.94 8418.36 22535.11 35674.54 51745.32 23005.7 19920.69 28411.26 28351.63 23363.3 18989 14049.92 26079.2 15796.38 24850.31 710.25 26077.79 15392.91 28765.96 57355.91 25859.7 15779.18 1166.53 9719.89 1448.12 21454.64 4773.44 20509.59 27377.15 23658.9 17723.18 32955.72 8781.05 27669.7 23475.97 23234.59 14784.18 11503.32 7132.3 5990.84 3575.11 8048.88 15251.04 19831.33 29211.98 35301.1 21441.37 34815.06 8331.02 30545.4 38428.93 31208.96 34919.76 14565.34 33976.98 18369.87 21407.62 20286.57 21044.37 21371.52 21471.96 24020.45 21457.5 20412.95 20893.58 n-[4'-Hydroxy-(e)-cinnamoyl]-l-aspartic acid 25979.11 31891.73 11643.07 17779.23 47523.04 32175 81211.35 42475.14 45353.65 34158.35 27146.52 30726.23 28026.01 18505.02 65629.24 33323.14 25788.22 65022.12 40325.82 66238.19 30583.01 22782.3 13356.14 56824.76 28012.21 20498.67 9737.85 11266.29 27511.07 2835.27 26408.43 16439.56 22442.1 13025.49 12453.36 26029.12 32900.44 7665.39 16914.73 8952.86 59156.45 42444.71 21341.37 22548.56 58127.11 30288.73 39308.14 19685.25 5997.43 18739.18 19366.3 39613.94 22155.72 31767.29 32142.09 38101.97 9824.59 12334.31 41929.42 25805.02 20534.73 19628.98 39852.62 24373.84 22293.72 51971.33 58000.92 20411.68 21832.53 42348.45 39014.23 33820.57 24755.18 31195.1 28335.09 36126.33 36817.42 36116.46 36624.88 36264.86 35116.68 36115.86 32857.1 36621.4 PA(18:3(9Z,12Z,15Z)/14:0) 45079.61 24538.67 3563.38 15909.13 16540.01 3754.94 22521.12 39441.8 71949.79 31270.85 60754.93 10716.3 14684.51 23652.74 44313.88 21219.18 17228.16 19549.77 52393.94 42529.81 11303.56 12343.28 5513.25 10272.34 9714.23 7164.07 15159.03 9525.57 6131.86 5392.55 4502.28 13831.06 4505.5 9921.41 5260.2 7601.67 17559.08 2113.8 28545.87 6428.8 33484.24 25990.19 13442.43 35577.35 52838.48 27435.04 46814.09 9998.99 17551.96 39221.06 31964.84 10692.99 9041.32 7146.04 33756.21 23851.39 9721.11 9223.73 21154.25 9563.41 36563.25 21387.84 45643.37 15692.22 10292.74 42127.6 34451.07 31734.41 15675.43 50841.61 91832.44 58373.56 29466.93 32407.69 66772.99 44764.97 45828.12 44779.65 45144.77 45364.5 45367.67 45157.67 43188.85 45388.83 3-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4,5-trihydroxyphenyl]propanoic acid 632.11 1897.96 1605.35 4608.87 1698.84 5408.65 4548.1 1922.61 1516.08 1362.93 2926.73 10528.12 11913.86 11681.61 3846.31 3516.07 2392.97 3851.83 6743.77 6712.6 935.23 509.84 1515.45 1476.93 1935.69 1593.8 921.88 1654.29 2047 2330.15 403.21 13126.62 1506.51 2355.11 1652.86 1572.56 1221.11 438.8 2064.63 931.35 2601.55 1377.5 1965.23 2965.02 6602.86 2188.28 5656.33 3762.59 5906.02 23535.29 3200.03 3184.25 1845.58 4510.73 1916.39 2975.12 1738.6 1962.53 513.08 2301.81 1913.27 2944.81 2214.03 4578.04 3743.63 1774.43 2216.71 3918.91 4344.34 406.48 728.97 2753.58 5070.38 3562.58 5030.2 4933.29 5027.39 4602.6 4810.89 4602.15 4388.73 4709.73 4935.61 4972.36 Asparagusic acid 3084.65 14626.94 8778.9 11270.56 4263.35 24866.43 3619.78 1958.84 5660.18 1727.78 6415.37 5332.03 442.83 628.55 12744.84 8442.68 6758.92 5405.98 867.41 12909.95 5297.05 3642.48 320.61 4492.26 3974.11 341.63 450.91 2668.21 3080.87 3692.17 3889.75 1088.03 18410.66 3890.64 6963.68 407.98 292.61 2547.84 3099.19 641.35 6276.5 5210.4 2769.77 2500.24 6282.97 6901.98 2769.59 32197.77 4334.41 1586.2 3833.98 6134.18 3353.22 7636.37 5565.57 43105.26 2574.18 5975 8218.75 13844.28 6939.87 8811.66 1948.86 19886.02 46286.76 1353.81 9223.45 2521.43 2720.94 1745.35 3634.95 656.63 10262.15 45063.3 16649.7 9098.51 9164.86 9113.92 9107.81 9110.92 9338.83 9194.95 8719.43 9058.08 Terpendole G 23144.33 19558.38 27927.69 24869.63 7094.17 27422.04 8179.04 18849.3 38182.12 16894.88 23606.69 21810.88 34667.8 19660.56 39757 15692.95 21752.1 20999.07 55617.97 10150.83 23910.5 693.65 6072.27 14839.62 11835.13 8832.45 5927.39 10689.41 7950.46 19396.07 12183.72 4006.22 7876.28 14961.41 29263.76 8708.96 25943.57 4684.91 17723.71 10511.53 52414.72 17929.77 23376.11 44171.7 22379.47 15706.42 18771.12 8745.46 3786.22 17571.97 22746.64 27402.98 29141.49 16955.96 38468.59 39268.38 40092.59 45987.46 18628.85 8312.62 22298.19 7409.13 62353.15 29442.03 44478.37 30321.49 27628.27 21401.5 19188.5 18853.08 8095.23 45526.02 38309.46 31760.14 19330.97 17377.38 21639.42 27459.56 20087.95 21756.12 9222.98 3386.56 43465.58 26357.35 749.55 973.62 3403.56 1781.43 33990.67 1378.49 8308.61 4075.86 35511.58 9241.82 2237.07 13749.0 3474.73 7594.35 12729.81 62237.31 19532.79 19806.59 20145.38 20089.05 22293.84 19663.55 20157.92 20162.29 19417.4 O-methylmalonyl-L-carnitine 11413.47 3111.87 5272.38 1375.59 31055.01 3504.82 21172.56 30424.02 26127.81 13744.75 30507.97 18795.2 22296.5 22267.34 28212.77 41753.23 22663.79 15514.03 21692.36 30979.51 12324.18 664.2 1230.59 9749.33 7729.1 10402.34 4714.03 10748.47 8365.27 9777.57 9848.07 18016.37 4834.97 7388.31 4957.72 6989.11 11165.15 743.59 14726.22 3816.26 18372.99 19208.22 7998.51 17944.33 18507.55 19092.6 27603.2 16188.28 12383 29585.72 7451.94 11126.46 15282.58 21116.23 8362.95 4711.55 2621.01 1408.77 15493.22 3002.68 12543.07 7341.15 7965.5 3091.91 3594.12 19448.59 23233.55 25572.43 21957.1 15653.51 9459.58 12314.19 19559.2 1126.08 22081.55 21036.55 20396.76 20684.57 23042.01 20334.98 20879.67 21238.76 19983.27 20308.62 1,2-Dihydrovomilenine 10059.68 5072.51 2688.72 6906.12 1321.22 3070.33 2965.73 3133.21 2342.97 1962.03 5583.04 8181.95 4357.24 6600.61 5425.98 3201.52 5894.83 4901.89 7576.81 2207.53 5920.82 8959.27 5928.44 9713.41 7337.78 6097.89 5571.44 6702.62 2785.16 8706.96 6041.32 7608.36 1868.54 3607.59 5381.27 1877.62 9998.55 3336.53 5986.44 12564.62 1252.84 3233.35 8807.46 5064.76 2312.63 1759.86 1477.69 8286.06 6432.52 4389.83 4325.16 6964.1 9463.09 8915.35 5388.59 3566.98 1834.65 4191.96 7545.37 5820.72 7947.12 4171.01 3120.61 3838.07 15446.74 6658.09 3387.11 5220.99 8704.16 3133.28 2993.8 2858.44 6776.21 6336.35 3701.99 3039.19 2961.81 3047.03 2998.93 2957.01 3189.42 2865.57 3177.26 3180.03 Stealthin C 3927.06 5694.79 3075.07 827.3 4642.04 6053.38 3872.16 4776.6 5940.28 3777.85 2518.67 2950.08 1216.06 5742.77 11927.71 10952.54 6460.84 17926.69 2481.15 16637.73 7772.17 2686.28 2265.35 1320.15 12266.64 4175.27 6603.24 7761.62 1128.35 9674.53 10130.36 2923.53 6300.47 811.89 8167.43 9263.57 3478.15 1664.86 2079.2 2282.36 2521.06 3830.91 5543.8 2746.32 812.1 848.25 12634.11 10027.54 6645.74 8018.77 2201.7 1799.66 1878 9767.16 2686.96 5847.48 994.72 542.46 4504.37 7661.98 9970.04 4312.87 6936.35 12386.67 12380.54 4645.04 3178.59 2429.34 8318.93 1258.33 2292.06 515.85 3171.84 12934.12 12813.79 5341.15 6071.41 6504.24 5945.48 5985.45 6132.98 6247.19 6290.45 5874.54 PA(20:2(11Z,14Z)/20:1(11Z)) 1395.03 1741.02 4309.33 12303.07 4977.32 3836.16 16392.87 3128.78 1124.91 744.39 4528.85 9983.83 20426.65 2227.41 5889.99 16716.96 3683.91 3584.93 1924.68 1045.29 3252.34 1013.94 3488.8 1386.76 1823.8 1117.1 715.13 1069.31 926.38 1757.5 748.28 1756.2 1875.47 1071.3 4265.55 1714.45 2619.81 536.63 2126.69 1662.67 4519.06 1379.7 2815.8 1491.61 1652.21 13677.45 2381.28 2497.5 355.29 20890.64 4812.74 2237.11 2877.24 19272.52 3581.9 4051.23 4271.34 778.21 4139.92 9748.33 8834.36 1851.8 954.28 10902.82 2222.39 2944.32 5120.81 2011.64 3547.85 3453.96 1903.09 951.57 13247.33 5781.69 5894.94 4002.88 3923.32 4108.76 3910.2 3669.06 3938.65 4312.96 3927.3 4086.06 PA(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) 1673.59 914.58 1506.35 511.95 3680.31 2966.56 8493.02 9173.89 7801.4 6478.74 2457.81 424.39 12342.23 5600.79 3902.2 752.98 3075.25 1281.26 12918.12 2785.33 1123.06 660.63 488.77 562.7 339.31 407.72 918.42 881.88 2104.66 343.79 617.49 1734.76 596.26 477.1 475.84 1929.25 234.43 1324.74 2674.38 1423.84 832.69 7111 1510.83 1804.29 3383.82 15232.91 2651.64 2367.32 4085.11 2068.77 9085.61 3104.55 237.99 2288.35 2158.78 1414.63 1336.92 321.92 519.54 2680.37 2953.51 3205.37 1808.24 447.18 729.7 1630.64 2589.67 7921.37 2679.87 2402.35 3913.17 3407.59 1745.1 1217.83 7247.48 7587.62 7516.35 7588.91 7588 7813.3 7373.59 7579.82 7397.17 7400.41 Methyl 3,5-di-tert-butyl-4-hydroxybenzoate 5328.47 5142.17 2211.31 7618.21 2364.4 2944.62 2976.19 4058.51 3238.81 10390.17 3918.73 3628.37 2785.08 13385.99 4133.05 1745.98 7769.81 4273.8 5451.36 2502.95 1991.98 2579.48 1685.73 4320.37 1817.28 1712.33 911.23 995.47 3105.25 2278.78 1030.06 1696.7 2692.47 563.49 2425.29 1957.61 2700.26 1010.63 2716.05 1592.94 2206.23 1245.07 2044.29 3613.3 7514.88 4260.97 2730.21 1433.19 2097.8 1578.48 3474.67 3058.26 2141.57 1385.48 2211.68 1990.62 1968.07 5432.31 4625.16 2716.89 4729.39 3110.29 6817.68 2962.28 2918.42 903.91 2373.08 2473.09 2523.78 2952.64 2381.12 10681.86 2362.73 3417.62 1165.56 2504.96 2671.58 2698.08 2660.55 2706.12 2775.75 2728.24 2678.82 2759.64 ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) 65538.81 45434.41 7592.44 8001.08 43212.26 70659.89 24907.44 98343.58 135220.57 33235.15 21316.1 28559.98 1785.45 20950.49 88097.48 37408.64 29808.06 141236.65 37540.89 204747.69 42163.26 30243.72 2542.42 6992.73 31796.46 36675.91 6329.14 11061.18 75864.22 11728.47 81214.54 25908.56 56933.67 5052.35 9469.38 29232.34 53889.24 14909.56 12229.07 7797.27 55737.23 47884.21 11148.35 15989.48 95398.79 19526.13 135532.91 33299.16 11959.71 58373.81 28183.33 30289.89 10885.72 11846.15 43465.66 43540.58 9356.51 10260.57 89499.62 38559.9 11618.71 3438.74 45947.11 25847.15 53826.09 40055 79310.01 19117.77 40204.59 81997.29 173369.76 47246.18 61314.07 26875.45 25551.72 58735.03 60233.83 60439.04 60244.96 62949.51 60274.65 60852.35 60855.99 60331.43 9,15,9'-Tri-cis-zeta-carotene 550.29 3927.38 2460.18 1459.58 2539.33 1949.31 1241.54 5193.58 3204.44 1172.23 2944.58 4850.18 732.41 2265.45 4569.16 2553.19 11817.49 5167.05 2645.65 5516.37 3701.48 4094.17 4048.37 2856.37 2057.68 3318.56 985.94 2654.46 2994.83 4528.5 2179.23 1810.93 5763.27 2451.6 2622.05 2707.8 2155.42 1104.04 874.55 1052.21 2265.2 1826.85 6510.62 2931.18 2662.53 3102.24 4855.5 5659.54 2392.24 910.65 2402.26 6989.66 3860.86 3702.71 3332.03 4859.84 4017.6 3555.81 6786.12 6091.62 3458.93 5624.57 5815.95 4717.97 3438.18 2979.12 5667.01 1428.98 5360.01 2687.37 1373.4 2500.25 3271.47 3306.93 6142.31 2955.47 3072.96 2562.91 2972.91 3091.5 2756.12 2804.08 2748.99 2950.44 5-phospho-alpha-D-ribose cyclic-1,2-phosphate 33567.29 24544.48 13038.28 11503.65 30201.16 61438.45 14926.69 12137.83 10893.1 28734.35 50767.84 26271.72 23552.38 27456.85 25012.41 28584.88 20394.7 30838.1 34180.78 23896.37 35495.69 35588.02 18595.06 27045.38 42943.46 50183.92 43016.39 53656.48 33143.39 7272.48 89040.34 11415.53 27099.24 22911.65 39974.31 29495.94 42326.5 126524.88 22101.02 56139.27 20055.57 42700.81 28154.85 19385.75 33105.14 7968.89 16271.04 37534.98 38406.64 57787.27 46296.27 28738.41 27321.95 22613.38 13018.98 30939.93 5814.17 7758.47 27656.3 31033 23342.16 25806.21 28389.48 2069.21 18506.58 36164.1 15916.65 20060.28 21818.21 15481.84 17322.23 24594.69 39428.34 29146.48 11583.61 25160.74 24746.81 24884.99 25092.98 24884.18 25098.91 24877.85 25095.26 24877.84 Avenanthramide E 13892.66 5090.03 1654.73 2467.74 18125.9 4396.12 6671.05 12789.79 12067.29 15371.11 7381.04 18521.18 3459.56 7860.57 7752.76 11849.13 10813.58 19581.67 17616 21803.48 15791.1 4506.28 2730.74 4976.52 11742.07 11107.95 3644.12 11970.56 18652.05 10545.96 15500.01 9157.01 10368.75 2412.43 2663.01 12881.08 16223.67 3655.12 6048.8 6266.19 23999.14 14720.8 5193.2 4814.61 14062.11 13369.47 18867.26 12969.19 9955.54 18520.94 13073.38 5975.56 3682.32 8785.01 16055.75 12157.31 3325.42 2210.09 16931.9 4749.69 4519.68 1786.82 8830.63 6858.09 8216.67 21656.67 7025.82 13456.46 14163.78 17158.03 20800.64 15526.24 11490.05 5025.7 4300.52 14685.47 14657.51 14499.67 15831.88 15293.25 14597.56 14937.48 14475.73 15607.29 6-Thiouric acid 1574.35 2266.07 1366.76 1258.43 1057.74 3859.37 1174.02 1453.78 3232.29 1684.91 1311.87 630.93 1423 1022.7 1342.66 740.3 1419.99 1933.4 1344.3 2520.84 2929.05 1665.08 2902.49 1742.23 1801.09 2242.34 1120.49 1386.31 2886.75 1366.18 5836.03 2210.53 1482.43 2637.27 1591.94 1641.56 2227.3 2818.81 2121.12 1559.28 3645.04 2311.68 1820.11 699.28 2657.19 991.85 2994.79 2521.33 1884.78 2250.44 2025.37 2819.66 927.56 885.91 920.86 1619.91 1138.59 1364.04 1178.03 3492.39 1229.18 1008.15 2082.28 1137.02 1943.27 868.73 3883.42 938.57 1363.61 1606.96 2436.35 2723.39 2706.37 4978.97 1950.01 2129.04 2038.09 1715 2118.79 2119.46 1934.18 2395.09 2125.11 2133.93 alpha-Hydroxytoremifene 875.67 822.69 392.5 325.07 2992.8 7536.22 888.58 1609.35 1240.07 1330.98 1090.07 347.91 919.29 1950.69 1249.57 1351.91 606.01 371.08 724.46 2479.46 450.41 436.54 608.98 680.51 1088.61 525.51 582.87 649.53 598.37 405.72 895.8 1215.62 578.69 412.9 420.61 974.47 388.67 557.16 521.97 466.2 2978.6 594.76 883.61 420.25 1591.1 712.56 585.47 394.47 738.78 418.5 947.68 650.05 340.49 1229.06 808.06 802.05 457.28 775.1 1148.47 958.31 1027.45 683.21 551.38 801.29 331.86 1323.72 1179.59 814.44 646.4 1333.21 1054.32 297.22 615.09 392.28 623.94 1282.38 1418.46 1314.59 1371.66 1766.63 1428.74 1314.49 1361.61 1088.11 2,6-Dimethylhexestrol 1436.99 661.49 620.2 729 1671.82 830.97 186.42 749.49 952.85 415.24 421.61 407.06 342.05 744 4434.93 420.8 369.07 551.9 362.06 423.51 959.37 923.91 296.76 404.72 353.64 952.17 341.8 244.31 2281.11 550.62 1019.42 4911.48 852.63 998.71 345.38 342.56 297.61 631.54 688.83 477.06 591.69 1811.99 1041.1 444.08 7095.51 328.57 801.95 498.93 444.81 904.15 677.04 1568.58 957.61 450.38 2336.92 1635.43 381.68 783 4227.09 254.38 471.26 355.05 3919.01 535.98 312.6 4722.82 1461.44 230.62 299.48 788.26 430.52 486.88 417.35 471.86 258.75 1894.1 1748.64 1288.42 1916.32 1754.49 1795.16 1909.72 1778.95 2118.54 PE-NMe(18:1(11Z)/22:2(13Z,16Z)) 3054.43 2074.61 2110 3481.6 2992.53 2045.09 8416.28 17212.23 18575.75 11496.42 5624.88 2668.59 12245.07 8175.77 5548.04 2778.37 2415.41 2922.03 15625.25 9587.78 1086.82 593.76 489.97 1580.03 880.57 476.28 4017.92 2191.82 875.64 1410.32 965.13 3459.24 1334.84 1384.72 3177.97 1906.94 416.77 1609.44 4958.15 2775.64 566.3 13488.22 7464.43 6677.43 12694.68 11194.44 2978.73 2841.67 14016.9 1032.75 12991.79 2523.41 2276.17 5720.52 4571.19 6888.65 815.91 3405.89 1777.57 2587.88 7031.54 9829.15 8954.66 2174.09 672.74 12514.61 5783.88 11824.88 4289.28 498.82 11866.15 11640.55 8035.31 5099.61 10288.71 8786.72 9154.32 8991.98 9293.19 9325.66 9498.65 9042.46 9066.06 9297.12 24,25-Epoxywithanolide D 140436.49 163580.88 137025.92 72186.18 6125.31 19119.46 63097.6 79856.14 83684.01 122128.34 127283.22 108512.52 98227.72 76715.1 113645.31 58146.85 200028.48 80729.06 69641.94 110889.23 114302.54 119994.05 102401.43 144347.79 118681.56 203270.93 268513.83 123910.98 122803.78 130514.48 134346.47 98542.63 233576.08 202289.66 145445.24 112933.84 165596.89 61303.72 135730.69 197611.48 95425.48 95403.4 189802.98 172812.08 107480.66 52832.45 136399.38 120237.78 71392.61 108660.76 105629.33 76949.04 107190.12 186825.41 70493.74 110929.55 87011.72 208535.76 80228.71 113792.61 119021.94 139571.43 93709.43 76398.34 171576.22 99515.51 129402.14 108523.86 163514.65 88956.85 142291.78 152707.48 105511.37 150876.65 106554.41 88141.87 74964.31 84896.39 83744.37 90580.99 80734.9 82244.1 84669.86 80844.53 (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one 19743.87 2839.88 379.74 2313.65 11925.67 5627.17 1891.09 11313.22 17037.35 4728.61 7266.21 1030.02 2274.9 3235.46 17111.68 9746.45 3330.68 24478.27 8083.98 96390.55 9952.1 625.17 679.39 1336.87 2752.22 13994.85 1786.32 7568.52 20241.88 5994.93 16775.81 8979.49 8542.91 1356.3 1665.2 7941.05 7877.08 1329.13 1961.29 1344.95 8301.18 22814.53 624.72 2430.73 32164.93 4356.75 13772.77 4649.1 4105.41 23384.29 6265.57 2341.29 899.91 1263.84 10659.57 1773.37 397.15 1012 7396.5 5279.8 839.13 407.8 4503.64 3449.14 4698.51 11754.8 11580.24 7483.79 9100.81 13049.95 23449.48 11262.48 6591.05 3453.13 2654.73 9472.51 9159.62 9057.52 9556.23 9134.3 9521.97 9129.1 8867.11 9484.38 4-Chloro-2-methylphenol 22537.63 38054.76 39128.32 27313.57 3959.8 4483.06 5498.75 8789.91 5693.99 18649.2 28376.04 10141.22 11833.81 45379.25 12117.31 8293.57 16866.93 12662.9 6650.49 7920.86 20989.23 27233.24 69357.73 53393.74 26829.04 42543.48 98173.5 69111.94 31692.4 63775.34 29228.04 17725.1 30923.17 55341.87 59674.42 48314.64 45298.61 55057.06 75158.96 105488.84 9765.42 12588.9 65846.25 61498.99 24177.86 16416.45 36815.69 13745 39384.05 11553.68 28023.81 21129.31 42345.87 49457.09 25592.09 19465.53 124635.98 83466.25 6236.22 40353.59 103785.42 63778.89 10789.98 32831.72 35706.49 7121.78 10410.5 33368.99 36673.73 12611.1 3131.59 27513.46 15791.37 45973.46 12943.25 15523.55 14657.72 9161.6 14890.34 14586.29 15598.3 14731.25 15492.51 15834.67 4-((2-Carboxy-3-(2-methoxyethoxy)propyl)-1-cyclopentanecarbonylamino)-1-cyclohexanecarboxylic acid 8614.66 383.66 9303.82 17286.65 134291.15 137738.75 31527.1 10530.42 2139.22 6288.62 10026.49 1774.9 6291.97 7251.34 6215.46 2043.3 299.26 7890.58 16885.05 539.41 7147.22 444.18 12173.68 7060.53 784.34 758.46 4132.75 244.54 660.31 249.59 271.44 1457.87 1403.38 8151.24 5836.62 1240.72 724.91 1305.02 6805.02 4357.73 37316.71 1294.68 10147.68 7258.86 549.18 6857.54 872.19 10161.5 245.86 620.91 7899.1 827.95 13281.31 898.71 1070.76 1192.05 8258.06 5919.11 1518.31 3581.5 13069.47 1176.01 1173.03 12338.56 810.1 1033.14 6724.67 8428.35 7014.96 942.9 6535.82 992.74 11659.48 1046.27 1053.15 13983.5 12698.35 13433.74 12657.66 12862.6 12951.42 13199.64 13486.36 12685.87 Vanillic acid-4-O-glucuronide 23105.81 36952.47 4966.35 6896.12 11866.01 6928.73 395.31 11233.57 11869.7 7609.21 1046.09 3719.98 14853.05 22332.39 37665.52 3600.43 13020.1 93492.02 10384.27 52369 7613.75 3219.61 2714.66 558.99 4347.39 3788.59 1891.52 3838.6 11461.33 857.22 25221.81 28024.42 3586.99 3828.54 3331 3919.5 5170.23 475.83 4307.54 2051.71 45008.87 32816.97 1550.38 1308.26 71227.71 9927.38 27650.33 7113.68 1381.4 40532.7 19528.12 59170.21 3074.34 4801.58 24436.07 47516.01 4481.63 6166.37 9405.15 4099.49 6033.54 2936.33 32358.91 1068.98 7360.2 33683.48 71673.98 1300.93 8870.66 215.56 8212.74 9171.39 7394.37 19256.2 8267.91 16153.65 19701.14 19778.97 20418.11 19767.69 22027.25 20516.73 20545.01 20163.25 Ginsenoyne N 19529.48 14704.4 6052.37 16337.06 5979.22 1601.92 4711.87 12915.66 8794.71 12250.72 26547.78 28567.4 11881.62 22787.71 24618.74 15115.01 18963.78 11020.07 42288 2804.83 21205.9 2746.16 6857.43 14377.59 11110.49 9118.56 15306.78 1958.49 4067.65 8521.37 16199.89 29586.5 5705.23 7213.48 14236.28 8060.37 14628.84 4565.47 19329.8 13225.58 19997.2 10652.73 18622.89 18905.49 10383.06 26100.99 5860.6 22502.79 17051.36 28362.8 15516.64 13114.67 23305.6 26886.59 19689.85 15185.64 3879.92 5706.03 14993.24 7508.55 14302.14 20509.56 17167.08 19522.73 17647.75 19325.51 19369.27 15492.08 19483.33 6612.88 9177.03 12037.04 25618.29 13295.24 12950 14198.38 14286.16 13918.13 16316.72 12926.68 14404.26 13643.76 11436.62 14322.68 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone 3001.01 5749.32 8676.39 10638.06 8983.11 3470.67 8041.21 2406.2 8462.84 6522.79 5594.58 4576.32 3820.59 3459.03 7608.15 8053.15 4361.41 8639.54 6150.53 1811.42 5668.17 1567.71 4330.67 5192.39 3582.81 3396.81 2943.28 3308.39 6631.35 3051.98 1768.72 3222.7 3525.37 5779.54 5070.78 3311.64 2923.29 2008.42 4685.3 3543.32 2402.72 3134.23 14829.21 5251.95 8288.14 6823.92 2115.12 4273.52 3007.08 4409.83 7603.38 9300.2 6241.82 7059.39 3655.74 9052.03 4495.12 4720.93 2806.61 3535.63 7182.66 2117.53 6391.53 8643.62 10360.83 8346.13 11649.34 5303.04 3617.11 2642.61 5720.49 2308.09 4238.58 9614.07 7838.7 6887.23 6753.5 6855.11 6840.33 6730.77 6816.56 6776.43 6335.78 6755.83 Emetan, 6',7',10,11-tetramethoxy- 14656.39 7526.68 726.74 2405.69 29948.48 8047.87 1317.07 29406.95 22176.48 3557.88 1383.8 20307.07 1895.98 1622.01 16768.23 3392.46 2187.81 12239.43 3653.01 11160.9 28881.96 1892.34 1313.14 484.98 17870.25 12994.78 1232.55 1694.71 17096.38 4424.82 15739.81 18736.98 16724.33 508.18 1974.22 12056.52 16222.85 6414.09 1769.44 1347.4 18984 27845.79 970.53 738.51 20459.55 1167.7 26942.74 19435.53 2001.9 3944.86 18970.18 10868.8 744.44 508.63 23629.78 11235.18 1295.03 686.58 56723.3 9696.93 1110.9 948.81 22495.34 2059.03 1265.41 23684.45 17911.74 2789.15 1498.92 50390.48 8918.32 1511.98 2161.75 1008.49 1560.64 90188.6 36096.68 89766.36 98199.15 89162.2 46964.19 31322.26 86486.01 67502.01 4907.46 3338.67 25031.81 30571.93 64157.68 14649.55 32419.07 27726.82 77108.31 41791.22 11224.64 40218.39 12560.19 36685.16 41914.63 69966.43 13587.96 13601.29 12261.05 13573.16 13003.94 13326.43 13630.56 13113.23 13319.32 Avermectin B1b aglycone 43203.65 27159.51 8825.21 25207.19 35633.49 27647.91 18666.25 39674.92 55499.34 35042.27 30488 52465.35 29951.73 30360.58 34519.73 27896.44 25272.01 21589.27 20801.81 70841.38 34818.71 13943.37 17132.81 14240.35 15011.18 13531.89 11413.33 13849.64 21610.73 19704.23 75254.27 25800.05 11518.75 44820.99 13415.12 18429.31 33314.72 6148.47 25555.33 9485.12 58436.52 54567.46 20065.15 19438.53 123641.05 36515.41 79245.86 10955.06 8185.1 37680.13 39674.69 65079.42 32742.23 24412.14 50417.09 33743.38 13674.08 28282.34 32028.74 67983.4 9603.76 13964.58 26037.37 15947.75 29774 67051.73 68355.41 11326.28 19835.5 33494.58 33129.17 44446.62 28662.26 35552.71 16140.97 42887.39 50370.45 44651.1 42936.81 41762.27 41897.7 40212.17 40392.79 40254.88 PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 120372.7 102697.71 144088.8 112229.18 95059.29 28178.06 95074.54 148690.42 188461.7 130928.79 131777.39 88353.42 131621.26 86048.86 158986.55 144175.22 105198.01 76365.01 205782.89 109012.42 115200.14 14211.55 196034.84 143053.62 174034 49936.67 153086.4 69545.82 94813.26 17842.45 9620.51 124277.69 75541.46 139475.87 100268.05 177668.98 106178.22 4144.59 140361.24 35571.61 58265.02 110132.73 148618.77 58500.65 136624.48 101423.34 153706.81 140638.28 235074.46 136585.23 101703.17 121468.24 139489.26 127449.76 170737.7 126584.07 88709.78 83046.14 114523.94 16943.88 155617.9 110102.08 204478.65 147531.23 91223.19 142877.15 70584.66 146890.74 71154.68 179263.88 149290.7 174535.76 98967.3 109945.43 134665.5 134689.58 132585.65 137432.7 135797.08 137552.63 141265.64 136101.39 141756.41 135327.84 Contignasterol 27483.21 10895.79 4867.13 12732.83 15068.45 42156.17 3133.14 11779.25 11718.91 29871.32 13480.14 22218.42 13620.96 9954.52 30559.54 15436.42 16009.88 21506.74 21242.55 18736.23 16197.59 18080.26 10930.32 10864.75 14330.41 9905.28 5221.81 8593.62 26646.74 7674.28 15875.47 15520.38 16696.93 8207.72 9302.12 13748.38 15978.28 3129.71 9498.99 4350.46 22952.43 25129.74 8670.74 13153.71 20538.83 11654.51 9392.62 9380.24 7421.85 12842.36 9236.46 22073.21 12999.16 16804.28 18150.71 21897.95 4444.95 6769.25 22370.32 41839.31 6622.59 19533.75 11723.01 1491.54 8288.8 27264.33 22843.81 11867.63 7642.57 15639.85 16239.37 28443.92 8671.99 13367.23 19251.69 17335.29 17825.16 17574.03 16874.19 17568.69 16848.89 16904.68 17543.96 16965.56 Devapamil 42999.59 13978.71 29843.09 17618.41 39347.3 15126.86 40807.97 102515.59 11559.52 20802.92 35333.95 55390.3 82225.99 22173.36 16489.17 53081.3 12903.04 34488.01 135215.88 34611.74 34867.67 25993.23 50913.86 15344.64 25409.42 726.79 3714.31 13394.83 74042.07 15026.32 19802.8 18333.37 32529.08 26974.52 7538.81 40949 24787.1 1947.92 33321.38 8373.74 10954.08 55697.17 26549.55 4424.8 24861.12 16065.74 24061.46 50500.99 40848.67 83448.71 122368.19 51565.47 90096.1 34489.47 50213.23 15563.09 42830.9 12493.93 46662.58 10203.65 49247.93 53549.57 38476.07 57159.09 34700.21 52489.57 15132.68 34852.11 11749.36 52424.37 4476.28 11528.11 35453.66 27927.18 59369.57 36664.83 36801.11 35263.63 36792.57 36774.77 36774.68 35347.66 34094.66 35724.65 PE-NMe(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 11052.34 11502.04 12289.01 20623.09 1684.71 11169.14 5636.02 15835.26 9587.16 10756.24 16969.08 12355.28 11582 14455.83 2045.05 5101.71 2917.79 7293.06 3940.43 6773.61 4930.42 752.9 3794.12 2370.08 8391.32 2477.62 2624.32 1675.52 1562.59 1732.46 4349 1792.73 1533.94 10645.15 10281.25 6752.32 10253.93 889.59 11372.6 5810.27 1288.25 10199.09 16479.52 16613.49 5500.26 10629.22 13264.16 5630.2 4697.4 10124.48 4035.55 9489.65 15409.34 9380.86 8987.94 12525.2 8929.64 7361.73 6121.6 3347.9 15938.35 6479.4 12372.11 14301.63 14603.68 20644.21 7153.64 14681.18 13223.65 14906.59 8276.07 6849.54 19358.21 15151.09 12599.14 10663.98 9611.16 10683.34 10303.75 10296.98 10682.08 11379.18 10460.84 10503.02 PA(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 10397.29 2436.25 439.45 265.52 986.4 2486.49 917.74 2115.26 8600.93 3006.29 5104.11 4182.01 3067.85 6893.89 3836.98 3763.61 2573.38 1329.3 12032.87 4589.31 984.64 460.6 1758.92 476.4 470.62 509.12 1002.34 931.89 1231.13 269.64 1656.69 1600.38 1624.26 354.77 1323.03 2242.65 2152.73 343.09 1136.64 1197.48 2702.87 4363.87 4754 3367.33 3731.72 6842.2 6256.17 1302.24 2311.77 6793.64 4060.74 1858.78 2861.67 6721.58 3515.02 3095.25 280.21 631.76 754.95 281.22 1310.71 4153.27 2736.25 2027.48 3834.98 3884.56 3866.48 5802.7 2186.63 4819.03 9345.82 2850.21 997.95 4809.17 5797.87 5504.77 5526.2 3682.34 5561.56 5603.48 5810.05 4996.14 5206.27 5238.04 [1-(3-hydroxy-5-methoxyphenyl)-2-(2-hydroxyphenyl)ethoxy]sulfonic acid 2804.84 54211.94 506.77 378.15 584.77 13335.12 7673.26 5480.14 5648.55 22065.19 12890.13 8366.75 10465.11 5163.55 418.88 356.64 12605.11 4034.76 8022.01 1403.03 2584.33 13901.86 4090.83 4919.03 4339.88 5179.99 2412.6 3966.47 3565.44 4293.4 1742.06 5250.28 4414.65 3239.24 2547.35 2274.48 2666.43 2372.47 2192.41 3315.06 710.51 4272.18 6948.58 4681.25 364.41 10415.81 432.66 32008.49 3316.84 47269.37 6229.46 18137.68 1192.9 6988.71 381.25 1914.19 416.06 4199.52 3647.87 6495.28 9123.14 456.98 2486.99 17319.99 877.52 5320.47 4335.61 3037.86 40250.12 469.61 688.13 32912.43 18841.79 5853.44 5192.49 7070.18 7632.05 6525.62 6775.11 7408.3 7038.22 7090.21 7438.49 7469.16 2-[(5-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid 12401.26 16456.89 7825.66 11735.33 27018.57 25390.79 11276.95 18665.62 16041.53 13195.43 19416.14 10361.1 12982.01 14644.61 21377.51 21959.56 12750.03 21664.49 14694.96 24652.11 17162.81 9701.64 9590.49 11262.42 13102.36 8546.85 5264.87 7146.48 18827.97 659.94 11321.02 13908.59 10733.25 8132.07 9534.58 13652.41 19603.23 3919.44 14364.15 7300.4 33399.1 20847.89 13239.1 10919.65 20895.58 12653.76 23814.98 10816.55 6086.36 18867.13 13728.15 23748.93 12871.08 14670.78 20469.6 18995.35 7020.58 8222.14 17755.6 15363.08 10590.79 10294.84 19894.13 10630.89 12169.93 19912.76 26210.94 14008.45 13519.85 20172.74 53786.87 16980.1 13041.57 19921.61 17886.08 25532.25 24753.91 23902.24 27149.1 24914.06 31802.87 24927.49 22394.46 24396.07 Desmethyltamoxifen 233.71 2638.02 4876.89 28846.64 67999.91 100519.13 145828.57 391.25 155.72 119.29 124.23 931.64 5174.98 85.68 314.08 5928.33 2746.41 114.14 337.29 111.08 542.88 3712.06 2742.19 1688.84 141.87 120.24 364.49 199.82 240.27 1478.93 1108.68 804.13 1353.91 387.34 2922.06 106.66 1751.98 144.5 339.06 100.6 29568.15 1347.25 3207.04 3725.75 154.85 11511.81 120.14 3593.44 1577.7 614.47 1039.24 204.64 257.1 646.16 784.33 1483.81 2623 2644.35 589.4 5767.81 116.61 4925.65 109.85 4850.12 3189.79 482.64 120.39 502.04 306.72 166.96 2359.71 4749.03 151.91 5014.57 4948.48 8735.78 8825.99 8827.89 8731.19 8775.28 8856.71 8825.18 8696.39 8779.56 26-Hydroxy-24-epi-brassinolide 57539.34 38456.86 36584.21 68188.18 21672.66 27517.78 31196.24 45544.27 75479.17 71227.43 72054.37 59029.97 73457 44133.61 48629.11 33669.32 61203.12 51580.2 147413.15 45947.29 43723.61 37519.77 60794.41 58721.77 38505.61 35071.79 38513.57 83075.74 65040.14 61595.57 48821.46 81256.72 28843.68 77609.54 55791.95 43351.13 48828.82 19124.37 69134.59 45272.32 35971.52 47146.71 68289.76 60894.26 54597.86 78414.32 27304.9 64322.63 130712.15 70573.64 43887.76 35416.91 57072.65 82500.33 45908.25 42709.36 30517.91 34570.59 13837.23 22343.99 56841.02 43221.44 45016.95 79706.46 42189.99 57748.51 60155.55 79737.58 28906.52 44904.69 29584.49 87250.98 45407.01 58436.39 42495.34 48555.09 50127.75 50583.46 48427.19 48873.87 50595.81 48953.99 49131.85 52154.08 3-Hydroxykynurenamine 4277.35 4853.08 1565.57 1602.78 5043.85 2912.48 3011.73 5381.59 6747.77 2297.46 5097.59 3227.31 2694.11 2921.01 3247.63 4030.47 2094.22 5632.01 5675.35 9578.68 5678.43 2151.19 2244.86 2722.48 4847.28 18661.02 2527.32 4328.71 5100.17 3557.08 7987.07 5862.5 2679.72 2839.87 1185.63 2695.79 7644.88 1784.79 1699.42 3626.39 7835.07 9012.27 3637.64 2606.88 6274.84 4798.9 11863.26 8122.09 5689.65 7968.81 5449.93 18923.02 4004.04 5136.99 4286.91 4303.98 926.71 1144.44 3405.13 2128.07 773.69 1775.38 3127.26 3033.39 2220.32 3993.5 4315.8 1589.73 2295.43 6087.15 4722.05 3371.89 4569.52 4622.11 3074.31 5129.96 4892.48 5042.2 4927.01 4890.78 5073.89 5430.37 4892.8 5135.02 PE-NMe2(18:0/24:1(15Z)) 24888.65 10246.12 6843.53 15863.62 16695.54 9027.94 15433.46 19264.8 5747.59 13172.39 21339.6 20402.09 17783.37 20494.94 14915.36 15402.29 14060.63 10573.43 31641.33 6540.84 12301.48 5284.84 13144.41 15448.16 18113.09 8297.45 11637.18 19796.39 12861.01 9908.09 5012.51 14036.45 4172.52 4723.1 8846.16 10302.38 10802.43 2006.07 17198.4 8398.13 9547.18 15746.24 24539.5 20798.41 13994.64 23810.08 11470.6 5572.97 19797.27 14085.93 21338.23 4436.73 20628.59 20246.19 29382.05 9534.14 7621.9 7272.9 15055.12 6363.56 17871.32 27558.36 11994.62 10757.9 9870.41 19114.06 12202.12 15811.78 13415.4 14246.88 6827.88 13816.93 14665.19 11531.94 16080.36 14784.7 15264.52 14818.18 14902.01 14784.49 14900.46 14853 14890.29 14599.41 Phophatidylethanolamine(14:0/22:1) 3758.5 6858.94 2576.7 5775.22 961.57 5586.17 5574.29 8354.15 9737.99 5951.88 11637.56 9016.98 3207.61 6988.54 6119.18 7512.81 2387.09 8956.51 7547.84 10307.44 5812.18 2833.62 2837.36 2872.61 3988.95 3436.68 2926.51 3672.99 974.16 9958.35 4243.45 7097.41 5588.05 2969.93 3260.55 3539.62 5980.11 404.25 5936.58 3422.41 7434.04 4550.24 7427.88 7284.78 8087.95 4205.48 9575.29 10094.03 3546.3 4564.01 3254.55 6769.25 5590.81 5372.93 7257.88 8291.33 4880.48 5265.71 9423.41 3216.84 7704.18 6271.92 6688.37 11957.66 11367.71 6149.16 10454.44 8613.4 10431.49 9069.44 9330.17 7614.86 11395.28 11201.36 12049.26 10292.52 9916.63 10268.69 9227.88 10010.23 10955.89 10209.09 8794.26 9811.92 Nicotinate 2172.59 2021.28 7634.64 7304.01 1257.46 14305.97 11169.9 3208.94 2466.48 1888.28 5727.29 844.93 390.17 1197.77 2499.66 3836.93 3713.1 4254.66 717.52 2687.14 1733.6 14601.98 3108.78 2113.47 2090.35 2419.13 4213.64 2994.62 2912.54 2156.79 642.54 3632.65 1629.24 4039.67 4403.2 1449.55 4451.77 12466.22 3840.21 13059.28 381.97 528.59 5705.86 3152.03 1297.69 3864.06 1236.82 3058.4 668.18 1096.58 1892.37 2980.71 5764.19 3809.95 2155.77 2778.58 18340.77 11353.35 2158.77 83437.7 5920.11 2098.95 3970.91 4553.86 2723.44 2619.49 3658.38 2252.64 2943.93 3079.8 1586.03 22651.18 6684.08 5652.44 3012.45 5010.3 5046.52 5001.14 4702.74 6097.01 5358.68 5019.58 5434.28 5081.71 Sarcodon scabrosus Depsipeptide 17652.55 11941.18 3535.25 4939.84 23402.2 7621.27 9214.31 17141.78 18718.83 10681.08 10967.48 23944.52 13139.45 13240.32 17629.76 20451.68 14700.42 15748.52 16638.03 22088.1 20091.83 531.32 4975.73 7964.78 19771.14 13860.45 9612.89 5479.77 21529.43 19981.25 20839.56 25661.34 9568.1 7509.28 7241.12 17207.66 24415.24 1270.84 3370.16 6104.72 21466.24 29364.71 9084.94 8401.76 20457.31 9229.04 15378.7 14809.69 16706.22 19406.94 14580.41 14022.49 11772.55 14871.32 19801.83 12365.15 4420.48 2438.95 18917.24 6632.51 8870.14 7202.27 14785.25 11022.67 10595.67 31536.42 15166.11 12222.97 12774.9 13154.63 10501.95 17991.04 6719.81 8711.36 11296.2 14074.45 12900.91 13687.05 13873.17 13871.65 13685.08 13847.57 14009.78 13629.65 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-3-oxopentyl]oxy}oxane-2-carboxylic acid 2609.08 5258.03 2628.02 3311.07 1688.78 2739.97 4775.31 3495.5 4589.11 7904.11 4384.37 5429.68 681.31 5538.52 4205.1 4767.9 2217.57 3840.47 1492.55 3351.81 5013.59 6414.13 9416.48 6684.13 5428.72 9840.43 4993.6 4937.33 2190.06 11602.23 5067.62 5110.99 7447.8 9560.15 7937.99 6090.05 4709.86 4126.8 7037.05 7694.59 5598.18 3376.26 8031.32 6015.61 1842.06 3707.86 4467.52 9592.12 12179.33 3671.84 6986.25 4298.77 5628.44 1100.17 3147.72 8841.03 19461.51 4827.69 1762.26 10375.98 8387.75 10590.06 6290.76 2436.02 7253.98 3308.43 3056.01 7427.05 3282.24 1691.23 1772.14 6370.45 1992.59 8192.73 5364.2 5937.17 5167.2 5843.13 5824.95 5307.24 6562.43 3346.86 5683.42 5338.72 6-Hydroxyemedastine 13190.48 14084.01 19229.67 52158.35 43584.4 80966.78 146620.86 10837.04 9143.07 13453.06 17304.44 9621.69 54305.38 12850.99 17531.44 18295.08 9972.43 7331.92 17509.69 8887.11 12911.88 34335.27 11279.06 10991.89 3957.9 3817.41 5994.95 3915.15 32186.53 4591.56 12143.66 7174.43 23325.15 28699.64 11064.25 5684.4 11326.06 5277.14 11705.59 5405.94 32044.85 17989.53 34788.91 15228 22980.9 66775.19 7927.67 8458.31 17620.41 11312.71 11938.86 17850.68 17585.94 22934.69 17842.32 18200.39 14477.3 19815.26 11102.19 20825.52 15524.66 19444.39 17617.88 43177.23 14437.36 42287.41 17296.37 27778.03 14490.72 10392.27 27268.42 14189.54 13554.77 28533 31254.58 25024.67 25396.19 24990.47 25249.15 24995.83 25268.76 25265.79 24986.87 24402.5 PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) 8898.33 12145.92 8258.89 24370.66 3057.63 14941.64 12582.55 19210.15 17293.08 7251.32 10065.71 9098.88 9755.41 18229.61 18237.91 6357.33 11041.25 1429.38 12077.19 11094.84 1208.1 6989.25 1478.4 3910.02 10893.01 3552.57 5515.61 4756.87 14295.51 11611.05 3448.73 9926.68 8859.22 1256.9 1450.2 11771.23 4938.19 2737.22 22112.21 2816.57 8009.42 7418.19 16831.11 18771.85 1188.05 5917.01 17944.46 16816.29 13180.71 3434.76 7219.35 16788.25 5368.24 17366.24 9700.31 25804.56 16826.86 7365.08 15598.31 699.44 7187.86 2049.13 10031.26 19408.37 2401.1 11239.91 13630.2 4246.61 11516.77 14442.28 10073.06 26833.18 2986.88 12515.01 10868.17 6231.44 8661.36 8848.11 8769.94 8021.83 7710.26 8654.34 8041.7 8719.53 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone 6116.98 8053.28 13151.28 6023.6 5454.74 6434.44 5709.55 4117.23 3182.47 5238.52 5752.25 7471.64 5945.57 2864.98 9390.66 13252.36 4898.65 3361.63 9131.97 3392.66 8635.2 6966 7939.5 6157.79 8413.6 9940.92 7123.67 6788.3 13086.08 6247.6 10057.17 8734.15 8102.49 7314.49 10037.09 7227.11 20749.25 4604.44 6146.99 5375.85 8366.62 5334.9 9948.68 7070.95 5203.68 5199.58 3430.02 7005.16 6637.4 4065.3 3396.75 6276.81 5079.27 6791.02 8737.57 6561.35 3428.94 20627.52 4740.78 10007.74 10646.54 10710.77 8461.52 8052.96 7743.58 5390.27 9064.03 6965.92 9866.73 10053.48 3419.27 11852.77 3327.46 6369.61 6129.92 4995.75 3773.29 3203.16 4571.33 4520.81 4847.66 4022.08 5397.87 4118.91 3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone 5739.84 3644.62 1554.59 3142.63 6280.18 7985.3 6729.77 5752.87 8152.96 17001.35 3048.64 2747.27 4913.11 7725.3 4400.65 6254.18 1995.93 8416.23 4549.52 3109.26 6042.42 130244.31 1106.41 1093.22 3174.12 3368.94 2008.08 1346.95 3249.27 2172.98 2005.64 1537.19 2329.98 953.99 1598.69 4520.37 4115.12 1094.7 1500.63 1429.4 17514.4 9176.43 2379.29 4152.77 15960.28 2989.73 3679.59 4150.26 1579.8 4945.55 2156.09 6615.68 2143.97 2089.97 5031.7 6290.24 1111 1330.72 9425.46 4891.14 1037.06 13294.48 3438.91 3556.41 3646.87 5925.45 9449.82 2887.06 5741.41 6262.67 6097.44 6633.56 2903.88 2074.8 4733.96 10354.43 9955.75 10339.75 10450.82 9881.58 9932.72 9825.72 9851.65 8243.57 Myxochromide S1 2352.07 1631.07 1082.63 915.07 1063.23 1064.36 1396.96 7472.92 2869.08 3397.27 3602.69 5465.7 4611.44 1975.81 6428.34 2480.95 8129.45 2516.6 19877.18 12219.44 2193.08 512.58 2543.83 2918.75 1264.76 970.51 2309.4 1695.63 7621.87 1410.59 844.33 3915.48 665.55 2467.98 1810.74 1373.3 322.71 1255.87 1629.51 743.82 1482.58 1854.79 4565.3 3711.26 4111.25 2505.15 5739.38 1969.73 4336.44 1373.35 1520.27 4743.54 2294.17 4544.78 1986.71 1866.47 1293.47 884.67 7127.96 1517.81 2415.05 6453.1 6084.67 6198.32 4337.8 4511.17 6352.29 8151.33 4502.17 1696.52 2077.34 9251.58 4304.03 4152.5 7366.42 7235.8 7283.81 6846.51 7214.62 6887.92 7221.43 7229.65 6991.81 6503.1 Dehydrocarpaine II 238129.69 113920.34 22264.46 21333.33 70596.03 10426.23 11291.34 143342.92 81882.09 8124.24 174674.19 243504.8 117840.83 158224.64 186614.14 75611.8 78428.79 158351.04 223101.66 82992.61 142631.34 38322.16 54971.18 12407.85 81415.35 53551.67 23089.3 115917.84 97978.89 151468.29 116829.43 209223.61 43417.59 34553.59 66150.15 87188.57 233907.45 23384.34 96880.07 98688.75 125987.04 252845.57 159140.35 176286.94 136959.27 52281.4 219886.39 266635.16 176764.09 245855.62 216927.56 248128.78 202995.46 323472.1 253908.28 98811.06 49402.83 53572.55 297624.43 103142.48 232360.91 149752.68 159828.71 191865.92 284797.54 468695.39 263664.87 120646.48 154285.65 263006.04 131698.97 79499.53 485362.03 140196.91 122902.26 137365.77 137356.48 137353.66 138389.47 137384.05 138387.84 137369.38 138407.26 137363.98 3,4,5-trihydroxy-6-{2-[8-(hydroxymethyl)-8-methyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl]-5-methoxyphenoxy}oxane-2-carboxylic acid 4303.99 3249.52 891.25 1458.79 2073.17 2446.69 2393.65 29418.77 30178.31 17501.82 920.47 6353.17 1940.6 11601.66 26691.72 1489.36 13878.62 47266.24 56327.24 70388.58 4454.79 11197.65 457 448.01 19890.17 27810.99 22277.35 6671.73 11131.41 1319.28 34184.91 8065.9 54178.45 1673.77 711.18 18935.92 21903.72 4716.43 2515.99 1425.42 6975.91 6820.04 1014.26 3198.99 33714.06 1132.01 74717.3 16937.64 432.02 14815.73 990.45 351.89 1644.08 800.77 2995.84 7023.25 930.47 1997.03 26854.7 11448.36 2370.63 274.89 625.91 5129.21 31089.26 643.27 6238.3 12970.56 8488.87 96925.6 54759.54 9532.18 11141.68 2350.67 6726.36 15708.99 15480.71 15199.22 13988.48 15397.34 16488.03 15239.33 15366.56 15175.73 3-Ethylphenyl sulfate 2285.52 1455.48 2215.16 1212.08 1809.66 409.21 2293.83 2077.6 1391.58 2772.9 1632.97 1216.3 1353.88 2962.7 2299.9 1685.44 2888.88 1947.38 1434.81 1673.87 964.05 3080.44 1687.4 2359.06 2481.93 2505.92 6166.65 2838.63 2623.6 2158.87 745.39 2301.06 3074.17 1330.9 902.25 3715.07 1598.85 2406.46 2393.64 1434.27 1246.16 502.21 1894.64 2716.99 1402.45 1487.7 1383.18 2642.67 1684.94 1464.91 1651.54 1263.27 1117.29 750.51 2874.97 2062.01 2950.37 1740.23 2898.19 2854.6 3239.05 2037.11 1540.34 842.48 2798.91 1132 862.08 3757.48 2547.21 1475.5 2444.96 2426.92 1126.92 1923.28 3921.99 2626.03 2592.84 2459.24 2625.53 2427.34 2616.06 1970 2467.9 2602.44 aldehydo-N-acetyl-D-mannosamine 6-phosphate 3738.22 6589.95 1553.54 3760.17 1786.36 5776.51 1945.31 3379.53 6907.67 2389.94 5050.22 750.62 1255.72 4482.13 2544.29 5745.85 4396.4 4587.13 4260.04 11803.93 4457.42 1760.68 2383.01 2001.47 2126.51 886.8 1476.38 1017.72 1739.63 1837.79 2496.01 1461.33 2844.08 1025.21 1431.28 2236.18 3080.57 1118.09 3855.1 1370.27 6700.32 4517.86 2056.36 4614.55 10068.1 1373.85 8902.05 9191.09 3307.68 8469.96 4172.12 5983.31 3829.18 2744.22 1351.82 2669.53 1727.52 689.37 5779.52 1330.22 960.23 1186.82 5035.94 2008.42 4803.37 3804.12 11777.96 2554.63 4343.11 4158.46 8594.09 4272.39 3600.32 1669.47 2758.2 3322.41 2135.53 3304.8 3368.65 2953.73 3912.22 3350.64 3472.91 2908.01 Landomycin D 9457.04 8164.39 452.51 1839.65 5394.27 47535.34 3140.23 6588.21 28496.76 3129.21 3221.88 840.9 845.2 2516.63 10435.89 2552.14 13833.47 873.69 8865.43 20801.24 9883.13 21653 2412.21 476.61 1922.27 6128.21 917.17 2195.14 2460.25 2301.24 1908.74 3075.66 10704.32 462.85 837.43 1741.76 5881.25 9463.69 1463.09 1093.74 5563.9 6722.13 5109.64 2489.52 1491.1 1596.72 4113.71 7857.55 3439.88 6362.3 3259.37 2365.47 1854.56 1894.45 7939.42 35794.73 2476.02 1186.93 8776.74 15119.05 1091.51 1426.6 8358.77 3857.14 6701.35 11938.14 7514.2 3169.74 920.31 8083.35 19326.17 6568.19 6119.19 1871.35 1585.01 7708.05 4804.79 6085.32 6873.64 6412.32 6421.47 6933.69 6494.54 7519.02 2-(Acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-D-glucopyranose 21332.73 621.02 504.38 14413.47 26792.17 322373.83 48314.41 750.98 49162.02 137830.05 367.3 31949.7 880.95 1258.69 50920.59 1779.34 21167.45 28505.8 3012.32 2812.39 22177.99 104363.49 2160.81 542.46 17922.04 88751.07 2235.94 687.46 362.24 18293.38 31758.69 39501.63 39424.86 12537.18 256.15 789.23 422.88 51700.55 4623.5 298.23 1075.65 32007.1 803.14 363.93 68265.51 17908.38 24909.67 29845.16 456.09 24003.46 23079.87 524.33 20578.37 28359.47 18414.31 45255 27849.34 2258.37 40775.85 236100.5 3320.31 1097.8 3798.29 1655.55 720.69 23176.22 39744.86 21625.45 17798.6 707.93 1444.11 121809.2 599.31 571.89 21257.97 43185.64 43934.98 43925.99 43923.46 43941.4 44005.81 43866.24 43512.48 43529.48 6-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one 102105.03 37825.83 3813.03 942.95 14804.42 31899.87 981.91 20731.76 88480.74 37902.67 9208.07 1834.91 2651.21 10440.44 70498.56 24040.39 7009.28 34900.35 32226.65 108300.81 19123.84 25535.37 4749.61 1389.31 21323.91 36946.34 2184.8 4321.26 20505.58 7791.78 18910.09 20509.02 35082.06 4419.17 6273 12867.18 31744.71 12757.99 8783.49 5042.67 2921.66 63282.2 5685.39 7007.14 19766.25 10713.75 54971.34 4850.7 11697.41 27234.79 31955.19 20189.22 3091.63 6405.39 43959.75 65552.14 2911.05 2758.02 48760.39 20095.45 5780.48 4884.46 80646.56 14996.23 18864.69 52114.27 60380.33 17746.62 13729.21 40243.49 99879.91 27529.62 28201.15 19642.75 14238.53 35520.12 39292.26 35940.09 36369.95 36337.01 35568.74 36351.74 33848.74 35561.91 {[(3E)-4-{4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-2-methylbut-3-en-1-yl]oxy}sulfonic acid 12279.47 14782.98 8302.84 10313.95 11218.58 7546.08 12273.08 14209.81 9456.11 15310.72 13959.2 13025.42 12271.54 14769.84 13389.25 12736.93 14452.01 14272.62 14094.64 12711.93 16848.02 13512.09 12102.21 14665.63 16878.27 17267.94 16253.81 22175.97 17029.31 14751.86 14334.26 12555.48 15997.7 12430.44 10719.93 17579.96 19362.55 12375.78 15217.23 17161.19 12237.48 14886.39 14041.65 15198.5 10550.45 15322.76 16787.7 17429 22592.48 13034.48 15386.37 13626.05 13569.05 14739.72 15814.43 14436.71 9291.52 9952.83 12396.02 11710.46 17230.55 12608.23 10945.35 13368.8 13984.19 12746.52 923.62 14576.07 13589.04 13171.62 6477.01 16012.53 14738.33 14811.53 15848.24 14239.84 13192.23 13321.76 13116.04 10260.78 12827.37 13211.94 13098.6 12954.14 (E)-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)acrylamide 770.3 1962.11 5344.99 898.79 383.54 4194.69 1515.21 971.05 3960.02 3454.61 2182.83 318.99 585.68 4069.43 1406.38 4689.66 8419.54 5833.9 6669.66 1522.28 358 70912.23 685.83 1280.23 3131.72 24498.9 457.17 434.88 3002.39 2877.16 991.39 367.69 15604.79 4928.96 400.41 386.8 3333.82 6365.2 275.01 1807.14 6227.13 1488.46 2941.86 1145.01 5958.32 2270.83 3540.53 2881.76 565.73 5360.67 523.85 23500.98 426.57 754.18 4245.35 28488.12 1270.97 4833.81 3448.29 27419.34 982.2 2034.45 3625.48 776.13 3533.77 2390.66 1788.06 1707.33 4836.14 1325.05 716.8 10120.67 525.6 2772.65 1055.78 6605.41 6122.43 6589.88 6120.64 7454.09 6577.69 6336.61 6200.07 6120.46 6-Imino-5-oxocyclohexa-1,3-dienecarboxylic acid 59844.57 61658.31 9319.15 19229.18 107063.42 110238.52 73238.05 122946.44 130208.98 43028.25 81213.64 44408.85 20711.22 34126.96 139817.49 85436.68 39493.43 110602.78 45766.53 195443.5 54959.78 51005.88 16204.57 24341.42 39138.35 37461 13073.93 18052.64 57566.16 10677.67 46376.46 39792.06 44289.3 7676.99 3672.92 32232.43 59712.61 14107.28 28829.35 17953.27 68097.96 96898.67 41377.64 39767.05 109738.53 52304.11 116493.05 49466.14 13005.46 74171.24 59602.52 78862.55 42077.75 45452.68 66275.69 74132.61 18209.96 22656.51 113635.39 4091.3 41767.86 35561.07 42414.83 54211.05 58776.1 97221.22 140890.95 34671.6 51928.94 117652.35 117898.38 74706.35 67714.04 49671.63 59070.17 76130.95 76138.19 76452.06 76920.83 76144.05 78393.55 76908.91 74486.85 76121.58 Myxol 1367.89 1296.74 2037.6 3895.19 10540.34 14247.69 9700.89 4422.5 1952.55 970.84 1941.94 2377.67 3264.35 1654.62 2488.2 7887.36 8667.81 4364.91 2089.13 2262.16 1359.19 2351.44 2784.82 2624.02 976.1 1232.63 1206.21 961.3 501.8 767.36 842.08 5070.97 994.55 843.07 1012.8 1690.7 623.83 602.61 1565.8 544.68 1625.29 1660.89 1518.51 3775.36 1281.49 1912.04 1652.73 1372.41 1452.13 3224.88 1309.05 1133.13 1244.28 1417.72 2585.82 3479.06 4859.52 2077.05 2310.26 5205.99 5089.45 2695.95 806.33 2783.34 1931.17 2517.42 3444.2 2236.92 1938.84 2192.4 1779.59 1269.94 3212.45 6578.5 4170.23 3648.38 3770.62 3574.89 2895.3 3634.01 3496.89 3492.68 3613.6 3655.29 5,10-Methenyltetrahydrofolate 391.94 2178.53 942.47 1337.82 3144.93 1801.54 3927.64 3662.28 3253.04 3436.75 2214.72 3038.9 314.35 1117.88 2253.69 1471.35 3298.73 1315.95 4057.89 773.35 2189.41 690.89 302.84 900.88 303.73 381.4 1621.48 877.4 399.45 532.02 470.13 1157.98 484.22 937.9 1411.76 971.82 1942.46 1055.38 1484.04 967.03 2133.45 1291.67 645.11 1171.82 1023.58 2007.46 1268.22 1239.54 911.85 1513.54 1663.92 1405.42 1061.63 1077.02 1366.78 751.47 584.03 1555.39 3472.76 2580.08 3658.06 2422.61 2930.24 1914.82 1537.36 801.53 1867.45 2975.08 740.27 2875.81 2886.97 3284.24 763.68 1072.11 2856.92 2463.92 2144.05 2198.88 2139.09 2380.02 2078.87 2171.53 2303.32 2802.33 3-hydroxypristanic acid 8147.25 6227.59 1271.76 3843.76 5768.78 9982.24 8549.32 8266.69 13408.96 12711.8 3269.29 6337.38 8671.54 6718.58 4419.28 3985.77 2336.43 3995.57 4959.62 2221.7 6016.07 12489.19 4497.45 2102.86 2269.05 4857.99 1871.53 3582.29 9006.55 3785.79 2260.49 3303.04 3463.22 4768.99 2296.69 5035.76 2326.54 2381.06 3109.01 2248.85 4176.58 9235.66 4442.22 5306.38 8031.25 8575.24 4768.63 5933.2 3729.99 3104.25 8477.85 8293.44 3458.77 5022.85 3996.21 4540.13 2046.28 1415.11 4305.73 4933.69 4385.07 7298 5293.16 4944.62 3245.88 9660.21 8019.68 7311.93 5039.23 3538.91 3387.44 5029.02 3155.73 4020.52 5459.74 6117.55 6108.23 6035.88 6108.39 6037.93 6232.51 6051.69 6034.01 6033.65 Melibiitol 2318.74 1164.5 2573.45 4306.71 4120.29 2729.12 5363.46 1271.7 2330.95 1190.42 1337.3 2289.17 3995.39 6134.38 1537.97 4843.18 2639.81 1291.89 9884.64 1050.11 858.16 1084.21 2319.01 866.88 1542.84 980.7 3903.12 1409.57 1573 765.8 1677.11 899.5 1053.7 538.94 776.67 2201.67 2672.9 808.99 1640.03 730.66 3946.12 4560.99 1565.26 1369.17 1615.92 12843.41 2979.92 1818.89 684.87 3554.81 1859.09 3915.13 481.5 4860.29 1997.93 4027.19 1425.42 624.54 944.35 2093.32 712.32 4606.74 371.62 4161.85 1231.5 2171.45 4608.41 3975.35 1454.12 1490.05 1785.49 2041.59 1329.03 2910.64 3650.49 17310.29 4977.71 12455.16 15362.92 7983.08 4678.61 5801.22 7075.48 2361.69 5948.43 6246.25 5902.97 6209.32 7280.84 6602.09 8234.29 12304.25 5932.04 9691.44 17984.96 8595.33 9403.76 6029.18 4265.4 2517.57 2756.1 2967.08 2512.64 2900.7 3100.09 2935.09 2801.32 3050.68 Dihydroxyacetone phosphate 11371.29 4065.39 9233.4 3318.65 11842.21 9656.52 7203.76 10768.95 9831.75 5886.36 18066.91 10311.19 1970.26 10878.13 20320.56 12470.68 8908.95 13147.57 5080.74 10442.41 4240.82 4883.51 1711.89 4587.32 3569.62 5399.17 4653.1 4198.83 3624.24 2757.83 2421.92 2372.36 1588.38 4990.13 4963.02 2751.26 6535.93 4566.51 8723.05 5006.91 4044.38 6287.22 8440.84 7885.9 9061.37 2071.86 10151.55 9393.65 9190.81 15200.42 11426.86 20962.21 4145.06 5511.18 5570.57 14925.65 11723.43 6835.09 8682.1 2228.63 14187.16 6082.03 25601.57 6150.37 11153.17 15385.31 15082.85 7463.36 3890.07 14245.86 2924.3 4939 11600.46 7054.82 3538.64 3095.2 2376.26 2198.34 706.39 1203.03 4078.94 3252.5 2147.28 4353.02 5922.47 3960.13 4833.41 2937.81 1399.46 3036.48 1662.22 2919.71 2308.31 1899.01 1433.35 4306.26 3994.91 1485.63 3580.62 3693.18 5655.49 5861.81 5764.68 6034.89 5666.73 5974.01 5138.99 5228.69 5854.49 Myxochromide S3 7642.6 2151.8 2076.28 498.8 23441.71 17404.5 4810.18 18706.53 20060.22 8478.02 3786.89 10801.14 1994.93 963.81 21449.36 9363.29 2102.14 14665.21 5582.1 10172.92 10026.02 1478.85 1191.86 1362.77 12967.54 8570.5 858.97 1536.5 14519.36 1885.34 8133.51 11252.63 8497.55 2906.98 602.4 10296.26 8229.13 1418.01 1869.64 470.86 13334.3 8322.08 800.29 1927.79 26075.4 622.6 26027.8 4884.12 6594.81 4358.4 13813.38 6020.2 1802.24 791.03 16878.28 3598.89 603.78 474.16 21678.12 3206.56 3557.76 1523.08 17181.1 1197.39 7099.14 11750.02 11229.95 4426.08 1793.76 10893.84 14499.31 4995.87 2629.67 1446.22 338.47 12501.12 12466.2 11922.27 12033.46 12140 12588.47 12097.53 11533.53 13314.45 Tigloylgomicin H 21897.02 12701.39 1996.79 6470.63 10378.5 1137.4 3927.14 20320.92 15625.21 7253.17 12404.7 17013.38 25258.28 5219.74 34834.15 26855.31 14779.21 31100.63 28850.22 36070.96 19596.91 5459.77 1254.85 10254 17077.53 6771.91 4460.55 829.1 20333.55 1992.57 4764.32 15086 3888.42 4808.59 2200.7 14392.72 6943.04 1065.13 1965.66 4015.24 32957.23 26022.94 8748.17 10998.59 23991.81 3175.74 44607.7 14943.65 4196.33 19421.77 6323.22 12258.06 1103.8 10670 24198.87 27101.63 2295.84 3058.81 27343.7 7670.52 14686.21 9322.01 17260.96 9280.58 14079.97 35052.26 12465.78 10673.05 27317.2 22123.81 7308.6 21302.01 7420.57 12995.67 5042.96 19773.4 22092.62 21079.6 21918.99 21908.31 21248.98 21983.67 22182.58 21978.79 Ethamoxytriphetol 1974.13 1295.47 1490.33 1210.79 5905.57 5031.91 2487.36 6775.7 7966.87 4260.57 4587.22 7672.96 2995.25 1556.27 5618.88 7933.48 720.19 10560.97 11224.57 9045.75 5783.91 5203.64 2937.69 3963.02 2849.26 3745.55 2439.02 1907.65 5674.54 3218.49 3714.38 10416.26 4598.28 3069.23 2750.22 3083.07 4635.23 1393 1725.87 1600.69 1978.8 4994.5 3402.13 3699.71 9897.95 1964.22 6466.23 3865.13 6285.99 5227.01 3672.86 2957.72 3369.71 2254.88 2097.58 3552.85 1397.73 949.87 5654.55 4849.25 2024.01 1117.86 4358.9 3047.33 4753.72 4073.27 4435.79 3881.14 3350.65 4454.06 469.58 4531.72 4732.02 3685.27 3641.88 4470.22 4180.19 4194.06 4003.64 4424.28 4830.05 4417.15 4097.28 4145.1 (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid 13920.26 8285.2 1531.59 3283.36 2441.83 7799.35 3717.59 11729.93 15660.72 6553.96 3338 5310.36 1135.3 3109.6 15670.34 3815.88 2385.52 14307.68 4269.96 13754.32 7199.63 4018.47 2175.17 1457.44 5432.68 4799.77 877.58 1213.95 8990.61 956.77 4391.47 3433.48 6372.34 756.25 1261.14 5142.69 9136.38 996.93 3111.69 1414.48 4079.87 11796.15 3431.75 3299.57 13283.26 3332.83 15173.45 4985.42 4858.64 3836.83 5900.96 5386.18 1812.19 741.98 4786.33 8620.52 1293.81 1140.77 6002.55 1669.22 1602.65 1931.56 4941.24 3880.75 7883.59 12534.55 18151.78 2316.47 5674.46 10939.03 10055.25 4594 4245.61 4599.87 2256.41 3669.06 3600.89 3764.83 3769.42 4089.43 3462.62 3584.88 3794.76 3547.87 Urdamycinone B 4972.57 3213.26 2464.92 3006.44 2289.41 2314.75 815.36 6005.05 4867.45 7844.06 2763.29 2866.12 3594.4 5306.83 3301.42 2620.46 4707.05 1653.54 4078.61 3635.7 980.45 4417 4481.51 4588.62 5000.5 1220.85 4515.98 4375.94 6754.52 1830.94 2060.73 2441.88 1676.79 2680.68 3548.93 5765.17 5080.35 1281.83 5476.75 2237.69 5355.73 5709.47 2791.16 2783.63 5978.58 2478.44 1759.46 5798.55 4713.4 3785.62 3490.55 1521.52 3205.61 5672.57 3223.76 1341.02 955.86 2226.96 3182.84 2754.67 3076.9 2640.6 3054.25 2770.38 2755.61 1457.47 3559.97 5245.71 4226.91 4490.23 7496.87 6906.53 1619.63 2612.21 552.35 4143.59 3500.29 4675.56 5243.6 4274.7 4601.77 4148.54 4291 4664.18 (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione 68669.19 150391.33 88428.69 89465.31 116295.6 105077.5 273302.83 106628.23 107096.67 140125.95 110682.62 208286.77 86659.38 208127.57 105193.3 150344.36 139513.83 84776.62 132857.23 46567.49 82006.74 48806.71 18549.91 64658.85 71011.83 45019.74 42096.49 28216.2 53136.33 38145.39 109997.34 34764.03 14736.57 22182.18 76843.49 62886.2 33857.65 105372.27 26662.94 92361.34 109984.34 69757.22 110690.25 114541.87 144775.73 119829.73 111564.37 113459.22 34978.74 100109.65 172866.5 109325.96 84746.45 122819.28 91652.86 116867.14 107238.83 116090.2 112766.51 130216.11 64550.49 109507.32 101013.86 128541.27 132482.46 99509.49 138921.95 112843.2 104040.92 114035.17 173968.43 95908 72368.11 135370.17 158279.69 121582.19 117431.59 120622.72 120643.41 120638.27 120850.91 117749.37 120468.75 114623.52 3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate 5365.43 3050.47 2023.04 1061.66 3685.64 18342.94 16155.62 1891.3 6292.55 7465.34 1881.07 3443.54 926.47 1597.76 952.58 4431.44 2970.15 2256.06 1194.16 2844.65 6060.49 3060.77 1771.05 1690.15 6001.78 2114.13 442.53 2049.8 4749.48 1634.71 6546.89 3338.87 3931.54 5721.56 1391.91 5679.85 5308.48 1161.39 3483.52 1534.25 6446.51 2466.48 1710.34 2552.56 3986.78 849.96 5009.09 3209.2 2256.08 2843.77 4239.91 836.22 1402.25 2104.27 5122.55 1106.82 2135.79 2395.86 3943.16 1744.57 670.19 719.8 557.66 872.47 1836.16 4041.57 4752.27 3502.91 4417.7 6380.05 1914.97 1834.24 4620.89 1557.89 1864.08 3839.27 3666.94 3751.27 4225.94 3838.23 3824.48 3303.54 3738.31 2347.14 4,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid 193491.37 120604.14 53036.54 21300.09 220265.36 249542.64 48602.94 408279.85 253456.07 219422.27 168574.18 377769.29 169232.18 159492.94 335113.2 431914.52 127362.29 326886.59 409492.78 334936.36 199018.81 180400.43 77681.24 72629.39 156440.84 148154.36 55308.07 40086.78 253966.01 169347.45 138396.27 418802.75 196628.79 54962.13 68984.55 148143.08 194165.4 39126.07 100333.1 42099.6 242705.53 393988.27 133826.86 101437.04 310566.1 114846.79 257829.53 144803.47 355664.71 539577.93 283563.04 160614.22 116900.8 79839.33 239068.64 204647.74 78167.81 69423.59 302019.94 284793.76 151451.85 136544.74 187230.65 174309.14 207860.36 274474.81 238961.78 241681.46 164650.57 269839.65 194673.25 281347.1 220628.97 166098.03 220570.69 253727.52 256860.78 255079.14 252515.62 252101.74 256840.32 254664.08 242249.41 252485.61 1-(4-hydroxy-3-methoxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one 12106.28 14575.86 3456.61 25769.7 5739.2 5817.45 20167.66 9621.11 3124.22 23879.48 7381.38 6440.35 2540.96 16034.28 7633.43 4761.96 16675.69 12701.98 12127.95 877.27 3569.34 2832.54 3091.96 7463.67 5350.7 1302.4 1030.66 635.09 3286.8 2475.93 894.39 1982.81 2442.54 1410.71 7286.79 1489.05 4503.43 826.9 3620.51 2468.12 5693.56 2587.37 4345.02 9005.4 19247.6 3599.09 7263.12 2899.32 1816.76 529.7 4668.96 2296.46 2781.28 2282.61 7065.19 6101.09 3139.54 9665.75 7220.69 4988.54 7056.8 2566.85 22155.58 3516.23 8510.61 1758.1 5199.52 3664.17 7707.45 7526.09 3572.47 16904.24 2554.71 6934.5 1734.01 5343.44 4666.61 5639.7 5689.15 5214.48 5637.41 5286.91 5672.14 5472.36 Reduced haloperidol 80640.85 63532.17 3124.7 37046.95 30352.47 6442.83 14695.25 68883.38 109183.09 53448 19522.15 125010.6 133204.37 86079.05 95903.9 76500.7 35181.59 62595.06 297152.52 87790.31 59012.22 24438.44 18313.6 4841.97 77248.07 36141.37 5831.14 8454.01 114488.1 91098.69 82757 115749.68 22801.26 10624.1 54365.48 40356.59 43294.26 2023.71 17516.37 75349.66 143245.18 91011.62 17529.34 53770.61 55110.72 69907.77 38372.03 54824.1 30308.96 132152.4 109834.77 130290.82 30281.12 75447.1 84719.68 5905.05 24675.31 497.07 57933.69 603.1 77205.01 43930.5 42569.69 5106.04 31040.09 83912.2 88107.29 58481.51 20978.55 79514.96 57815.39 47673.74 29491.41 15836.02 69447.32 69799.45 68949.68 68964.42 69480.36 71618.91 69118.62 69785.3 67572.82 68976.6 (3-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid 1526.66 1780.03 4466.29 22107.37 11906.95 593.65 11112.43 1838.67 2228.08 2223.32 4735.82 1251.93 18870.4 3641.15 1152.76 12472.75 12987.34 3469.37 4454.16 613.13 1813.7 3228.88 3896.21 3071.39 1331.96 1934.06 2492.35 1902.24 5279.76 1914.18 1177.79 3175.24 1272.92 7853.17 9891.67 1544.97 740.54 1335.12 4122.64 3684.19 3273.01 1769.63 2859.46 5465.32 802.86 19406.89 1653.43 2083.53 1414.04 1649.64 4851.01 2181.79 2609.03 7994.65 7013.8 2198.34 3752.48 2410.8 2659.01 3422.21 5353.09 1187.2 1587.58 1350.81 1803.37 2730.75 3121.48 9773.43 594.81 620.93 1568.83 862.84 3153.43 11193.61 15210.07 2433.14 2427.32 1714.98 2335.9 2432.88 2328.15 2435.95 2419.15 2619.64 Androstenedione 9313.56 7512.98 7787.91 8032.48 5069.6 8543.83 9048.57 7944.57 8825.42 10017.24 8646.42 9438.85 4948.35 6912.97 9068.81 9594.72 8864.04 9094.49 6414.28 8491.22 7414.38 8162.6 7033.75 8820.63 7707.95 7022.41 7493.6 7247.91 10400.66 7288.62 5771.94 8769.73 7516.82 7726.38 8768.06 9677.47 6164.43 8185.58 9864.92 8648.33 8911.57 5004.58 8627.27 6223.59 10981 7559.97 4477.55 9852.55 9807.03 10240.59 9381.8 9198.82 10019.87 8914.65 9861.91 7691.23 7301.36 6954.89 8902.92 9389.38 8638.99 7842.71 4104.61 7086.26 7142.26 8651.59 8773.66 8113.88 9859.68 9108.1 8084.22 8710.55 4853.1 7895 9176.76 7840.08 8030.9 7715.47 7691.82 8057.91 5890.03 7716.4 7733.56 8030.35 Cyclopassifloic acid B 272082.28 223942.02 80925.32 248779.03 139264.34 85915.6 180736.41 201575.79 137818.72 147717.91 523947.02 432706.12 338564.07 404394.05 242206.27 325744.21 156728.3 160390.36 322908.8 148248.9 215025.9 70531.3 343432.68 445644.63 183567.4 5893.38 260804.45 373781.16 189048.72 527179.17 184731.23 420157.49 97866.18 15660.33 229866.6 119760.91 221115.05 66016.17 373964.61 345946.48 163708.99 233930.95 460299.34 436548.64 173170.2 465558.67 181040.47 456815.13 263849.18 513435.9 246676.57 264200.71 510078.88 586520.12 250864.5 144598.28 101988.3 170312.38 255622.62 94446.06 336937.25 510006.04 177536.48 376896.15 437816.66 288961.33 278888.8 315575.8 461426.84 172335.41 158446.13 174177.8 667213.05 333765.29 383039.27 254371.24 255560.3 254401.02 256015.6 254367.03 254362.73 254900.18 256035.56 257161.19 Landomycin J 2900.16 1093.79 10970.47 1756.24 3061.37 1568.67 6827.52 5386.8 8301.63 23273.33 15823.68 3698.07 1699.02 4349.22 18951.84 8772.76 104623.68 3818.79 4401.85 2109.48 7174.35 5289.96 1371.27 838.78 2686.65 5894.97 2837.97 3305.55 7183.36 1753.64 4240.12 2183.56 31331.51 6326.35 1476.88 6712.28 3107 4033.52 1990.71 2522.47 7171.99 7319.62 4450.52 9231.76 4968.49 14851.28 9136.29 5616.95 7183.66 1398.35 9600.87 7888.73 7888.41 2314.52 2776.19 20625.69 27694.49 1477.94 25884.07 1899.33 5646.27 692.41 9476.41 2179.16 5987.15 4793.38 10982.11 12420.89 10688.13 6288.29 4203.51 16461.81 4406.93 17776.2 2924.29 9945.63 10985.33 7122.6 9915.75 9205.67 9756.8 9921.68 9451.37 9335.03 Apo-12'-violaxanthal 35071.87 42434.47 69514.03 59415.78 106507.91 41347.57 99048.19 94385.74 103462.93 87392.72 73193.56 100427.18 70331.65 74664.9 60596.69 77670.02 108227.78 64296.66 133301.83 53750.42 39204.19 36811.83 28382.06 55439.46 28302.85 22801.54 28177.3 21240.32 28456.73 32226.09 52055.61 21054.1 24548.72 49729.09 32769.15 23648.92 27001.78 33926.49 9441.01 49405.33 77870.86 67229.71 48306.92 68185.45 113625.86 95518.85 87657.83 64357.77 48755.66 97478.73 48140.68 27804.04 66342.16 53168.17 28627.65 43665.78 51792.34 59217.72 49726.46 76782.27 106754.5 86171.64 69686.4 60085 96890.76 82167.42 76456.84 86966.74 66792.89 79301.32 79379.87 99880.42 80086.54 82045.11 110612.27 83948.29 81703.27 85537.68 86503.4 85081.52 85640.34 85570.59 84028.62 84452.5 PS(18:2(9Z,12Z)/18:2(9Z,12Z)) 2591.44 1589.8 2657.1 2171.41 15456.6 819.92 11144.47 1832.01 2728.94 1178.37 1763.6 469.07 3212.13 4466.79 7986.78 13515.81 7312.38 3895.34 8147.35 2839.12 1336.09 492.99 1043.34 1248.08 1153 439.4 937.31 1498.53 696.03 1288.34 1703.17 1351.34 3551.76 1361.57 702.81 776.67 658.38 821.27 2375.79 889.82 12269.53 2862.59 937.77 363.99 675.18 2192.85 1942.29 2133.79 979.87 3540.69 12998.39 777.02 730.21 882.19 1013.38 2265.79 4241.69 569.39 1628.21 1213.04 1101.09 1670.17 2504.63 2558.74 1982.35 2852.86 890.95 7597.28 348.7 2573.88 2824.12 1584.5 2766.13 376.81 2878.15 2567.01 2578.69 2569.39 2481.35 2420.81 2361.96 2035.12 2608.43 2366.45 Epoxyfumitremorgin C 6691.34 6350.51 2778.44 2441.1 10629.76 8726.61 7900.04 8445.61 4258.58 4836.94 5480.14 8594.8 3194.35 3029.58 3197.47 7375.34 3100.45 6239.61 6565.01 10429.21 8743.15 6826.94 4627.75 4455.84 7687.65 3257.62 2596.54 4055.07 7202.27 6657.79 8068.62 5683.7 5729.72 5142.12 1920.65 7479.97 6592.47 1995.73 4051.53 3140.06 9628.22 9282.15 6280.03 1376.38 7005.05 3235.87 7098.19 3079.43 3674.57 3848.18 6584.28 6941.83 4876.21 4719.29 6693.23 5812.93 2614.32 2336.93 8729.91 5969.68 4663.75 6048.46 6154.34 1905.76 8120.73 10883.48 11062.51 4656.1 5650.73 8746.43 7739.24 10374.97 1463.1 2718.1 6765.62 6969.25 7005.36 7284.56 7518.2 7292.05 7010.05 4983.06 6953.81 7297.49 E-Norendoxifen 29221.12 13466.74 4336.77 23921.8 19895.11 89721.21 19986.9 23656.91 20290.63 23571.45 16362.69 29989.15 100920.53 45672.03 24861.29 23493.2 37181.62 20256.07 57341.23 36819.19 6146.97 4542.09 5111.31 7848.95 4078.59 4426.78 1884.46 4084.35 12279.27 5911.24 8196.11 13266.94 4613.99 6145.14 4605.62 3208.85 3279.24 5612.28 5834.01 2949.22 11632.75 29185.27 16277.24 11608.92 21743.23 30115.75 11884.25 9598.98 16335.28 101752.14 11433.57 24412.53 21466.06 20113.71 7002.72 7785.13 3875.92 8070.41 7727.83 6176.72 6246.5 6940.82 15392.71 8639.56 10255.08 19693.44 35589.58 12209.39 18464.31 6806.05 15096.15 21749.43 21075.84 32264.54 41474.81 33790.16 41219.47 34900.06 35684.28 35262.35 35631.74 35600.71 34109.46 35121.96 8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C 9569.76 16602.77 16627.42 17401.76 6061.37 1979.62 12718.78 8793.89 5317.68 14679.83 14225.41 15021.42 15171.21 22414.69 13192.77 11557.64 14147.39 8378.66 18357.99 915.73 2149.05 19452.79 25355.32 32111.67 13955.79 1749.95 32643.23 21007.34 18986.75 1200.48 2345.09 11317.08 14566.07 21198.41 25510.17 18264.7 13075.84 6276.15 25627.5 22917.6 4059.79 7851.52 25706.3 20173.73 7978.82 11273.4 7744.51 19775.25 16958.35 7676.71 9446.43 14916.68 21331.88 17511.68 10516.69 17154.23 8517.59 16625.68 6499.58 12485.03 30487.64 29906.5 8648.49 13271.41 13432.22 13376.37 5106.08 18701.16 19343.71 8472.81 1870.69 18446.11 10007.74 18762.06 15789.85 11672.7 12723.53 11995.1 11992.05 11733.33 11996.3 11712.76 11717.32 11964.32 O-demethyl-N-demethyl-staurosporine 5396.24 10461.66 225.84 1504.68 1462.25 9819.21 2310.43 3128.87 4931.23 3087.11 851.35 861.88 825.97 2204.07 15746.16 2470.91 2753.43 4954.99 3342.68 2303.99 648.54 16283.57 1865.02 285.02 566.59 4257.69 243.31 369.82 1930.94 588.12 741.68 2277.37 18078.57 427.57 568.27 1276.85 3091.64 5349.82 836.34 371.23 3682.17 6881.07 1215.09 1371.3 3597.01 1546.2 414.55 516.63 242.47 3520.98 940.48 5299.75 1346.82 1374.75 920.84 10765.11 2227.53 318.54 5994.73 10275.95 1491.54 563.15 11904.85 419.1 1221.9 3289.04 19888.76 1584.05 1479.84 1116.79 11564.7 1233.89 1757.5 2522.53 884.69 3425.32 5308.61 4873.13 4555.86 4890.7 4991.77 4657.62 4946.29 4408.59 3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]prop-2-enimidic acid 4695.55 666.39 977.69 2168.51 6490 5665.22 5453.47 3837.82 3231.43 6992.22 10664.75 16687.16 11876.83 9616.43 3307.47 9159.42 6977.2 7684.86 11045.96 3999.91 3638.87 1769.89 3855.94 6535.94 4212.99 2666.33 3783.14 7633.23 3470.75 6851.22 3422.42 6422.7 1695.87 4900.44 5635.29 2274.5 6396.29 940.15 8095.54 4179.05 8302.41 6611.92 3165.4 9416.8 7632.46 10726.76 6344.86 514.68 5994.31 11864.54 4462.69 4454.56 11217.26 9369.51 3411.65 3018.17 2319.3 2812.48 4192.68 1172.3 7881.14 3748.04 1284.27 7095.9 2575.67 6110.68 5720.72 11285.64 8592.46 6074.46 1455.83 3609.76 8585.16 5020.39 10162.75 7571.95 7174.72 5846.2 8384.02 7264.39 7196.85 7243.81 7573.94 7566.07 cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene 870.04 948.1 388.75 1576.8 887.16 5031.81 6520.47 5020.3 2887.33 380.65 1569.66 605.63 2489.95 6081.19 2665.69 893.63 1621.8 1976.03 628.77 718.8 505.61 819.79 803.84 513.18 427.28 399.68 476.94 648.11 420.63 423.24 1401.2 582.07 444.01 726.69 770.65 413.81 919.51 757.47 471.09 578.37 580.03 723.75 886.42 394.94 1401.51 1146.62 5429.84 1245.62 1066.34 1842.34 2009.46 1951.39 464.4 1285.27 959.61 1685.37 834.01 1110.75 1427.43 1034.34 521.45 1509.89 1831.02 592.04 1360.02 1833.07 5655.89 1769.63 1332.83 1173.16 577.74 397.99 1124.34 1729.68 2402.29 1191.75 1287.07 1206.61 1249.24 1228.15 1345.24 1293.18 1199.32 1297 Uridine-5'-aldehyde 2168.68 2709.82 4161.94 3432.37 1143.55 1832.53 2733.44 3233.46 1957.53 4422.61 3037.49 1911.79 1687.35 3766.94 3158.34 2003.01 2379.17 1740.91 1067.32 1313.38 2372.69 1342.72 1880.36 1883.84 2381.42 2398.08 2729.56 3937.16 2299.41 2386.39 2020.06 1540.89 2333.92 4217.77 1938.11 2662.33 2832.41 2517.3 3041.63 1123.28 3290.58 1527.32 2749.81 3224.49 2740.12 2489.44 2183.1 1560.11 2076.31 1356.61 2224.48 1697.38 2735.7 2157.6 1432.17 1797.24 1285.47 2317.01 1966.78 3024.54 969.45 1790.08 4330.56 3015.11 4513.16 3506.29 1658.35 2369.1 1747.43 1661.02 1079.62 1789.67 1099.47 1513.48 1200.26 1409 1466.78 1397.66 1068.82 1310.6 1347.02 1354.1 1428.27 1308.48 Hydroxyprolyl-Cysteine 1583.39 399.79 259.67 101.81 4036.45 965.87 612.29 5722.84 10253.72 607.95 743.27 1152.09 566.71 3284.84 5332.67 812.94 615.55 14354.85 742.92 260548.85 362.82 317.36 244.51 247.14 247.56 223.38 143.72 95.91 112.07 1083.16 231.05 666.42 257.89 120.43 160.7 182.28 266.99 129.15 125.97 225.89 11470.81 1064.47 231.99 285.61 1117.51 716.09 960.53 166.16 60.3 783.11 175.53 162.17 250.07 221.67 554.86 121.24 187.38 193.69 3263.19 161.96 332.16 3321.21 453.04 497.71 510.51 1102.24 789.94 360.23 483.36 6176.95 53484.65 478.87 778.8 309.74 834.44 10754.01 10782.74 10835.1 10800.3 10998.57 10735.9 10842.53 10123.75 10734.71 N-Glycolyl-Neuraminic acid 2304.68 16956.81 3866.31 37413.52 4613.18 8720.84 10335.25 7538.22 19800.25 2780.89 10296.3 16588.51 7994.3 3727.97 17124.15 35416.27 8022.72 7990.16 14919.49 3510.14 22402.51 8648.62 9454.54 24768.93 14094.75 10437.64 12850.21 43912.56 6273.8 12537.6 57954.65 18971.97 2273.61 44536.7 39064.87 5398.98 34397.69 17319.58 14609.76 54781.55 4675.44 3176.89 15044.18 6931.68 8049.43 25747.78 7275.82 2919.68 3024.03 10915.47 32256.56 14906.02 15756.84 82833.34 86055.12 695.94 10039.68 3558.63 10373.55 79888.23 4513.17 13514.98 70099.5 37974.69 10970.56 26201.95 12571.53 8989.87 11415.92 8839.56 4780.95 4661.47 12170.4 34158.81 45091.34 14492.63 14824.4 14473.03 16768.12 13860.02 15062.38 15142.71 13776.82 15209.42 3,4-dihydroxy-2-methyl-4-farnesyl-3H-quinolin-1-ium-1-olate 99167.72 8328.12 29063.51 66145.08 17100.9 14324.33 22384.96 21589.14 16880.8 62163.25 29164.22 27554.43 29061.04 23392.65 117765.88 46467.62 67824.7 10904.23 177472.47 24611.78 12514.37 16069.57 10094.26 23932.32 13631.36 9563.84 31585.07 5018.27 98929.83 1493.66 10191.51 21026.42 15617.27 31339.66 23481.24 7642.31 10494.34 2323.64 32929.58 8992.85 13753.6 13909.41 27997.5 23157.56 18446.16 21924.28 10811.92 6037.49 37182.07 38716.05 7791.77 8477.67 13377.63 11140.17 16194.71 23298.94 5053.53 17232.53 22923.07 13253.72 42236.6 13790.49 11824.66 35892.34 20983.74 23836.02 18182.87 40346.7 20518.53 28126.6 38790.2 151292.53 38149.54 32772.39 54280.49 25917.17 25872.82 24691.82 25840.81 25298.04 26696.14 24610.96 24906.38 24665.55 Diisononyl phthalate 1499.61 6100.31 2746.57 9925.05 2720.75 11569.58 7028.03 8334.5 2721.89 13834.48 17588.33 8083.36 13786.22 11941.06 52656.78 21200.61 2421.74 42713.78 20570.05 14430.32 43667.96 17780.34 23383.66 2324.43 47764.45 27376.13 20416.06 4161.37 49854.57 18887.59 14316.99 27725.23 38979.57 4981.4 10037.88 57817.12 7730.45 4910.57 6616.14 1562.17 7274.33 1469.21 11301.32 13670.46 69498.93 19251.87 10448.46 17595.95 16683.89 13761.33 58100.66 37424.94 16456.04 8225.68 56955.32 10347.51 5125.03 10211.24 66945.74 15809.42 8465.39 22292.18 51750.27 13976.39 25538.44 68140.43 37721.9 14227.58 14406.62 56451.02 40124.05 16692.95 19162.79 9397.06 17819.29 27472.69 25862.31 27469.25 27271.64 14765.14 25715.74 26905.63 26080.22 27882.98 (3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid 3319.9 2166.28 964.21 431.11 1081.38 2157.24 715.21 9703.7 4106.56 875.36 1732.63 3729.85 2819.64 1184.08 8225.88 1764.04 1245.83 4087.96 730.19 15853.65 2992.8 3143.47 1619.04 593.31 7022.49 6229.96 875.42 1200.19 7179.53 1458.13 2744.71 2172.4 7018.18 559.5 1107.07 1294.07 13011.21 3420.59 633.17 4053.26 427.83 658.68 1263.39 1112.61 2471.11 694.89 3366.08 3587.19 1798.22 2152.78 1278.08 2523.88 1310.76 4079.57 7788.28 3960.05 1839.8 3057.08 6663.73 4411.51 1158.46 468.57 7601.12 4767.69 3849.08 3329.55 1184.09 530.84 1024.4 10438.82 4030.72 2676.67 3443.62 3150.25 2328.1 2923.39 2708.68 2788.09 1157.93 2918.74 2733.11 2732.76 2932.14 2705.64 N1,N5,N10-triferuloyl spermidine 15511.92 13122.02 14157.12 11646.89 58005.96 34790.9 29723.89 37460.28 15458.85 35599.48 40772.66 69928.65 24911.61 32176.37 29401.5 60831.09 27142.78 56907.1 62769.07 3700.26 18661.8 13889.08 16618.76 15208.86 24453.89 21806.05 9649.25 8822.91 41038.39 12145.78 3034.94 57556.94 22524.15 13086.46 14793.16 17339.71 27384.5 6245.07 14247.08 8133.42 11953.26 48181.24 23190.85 23104.17 59355.46 40884.38 19355.13 19849.79 23645.06 58964.97 34097.11 24526.66 33350.29 27891.27 38779.8 21306.12 20498.93 20257.13 41514.65 30137.18 31479.92 20111.65 32116.45 44296.2 27239.46 43453.95 8484.89 30709.5 28583.61 22381.94 7104.89 46783.94 34823.6 30259.96 41217.29 37540.69 37547.96 37530.65 37335.43 38980.93 36837.4 37260.11 36882.9 36912.97 Protoaphin aglucone 698.17 4016.82 189.83 609.58 199.46 322.23 488.39 602.05 1814.71 2195.94 243.11 1431.67 342.1 247.65 8136.3 175.83 522.45 220.26 1687.69 9498.31 523.6 765.55 281.62 348.83 203.98 2814.44 169.7 329.96 330.55 157.76 599.3 508.6 4020.99 543.1 175.17 247.99 351.5 148.29 301.89 246.21 261.5 2452.28 518.45 404.8 2805.86 1289.15 2259.16 1005.37 166.01 386.13 351.85 1323.74 585.7 285.28 515.7 2914.24 158.29 468.79 4153.58 911.12 514.08 1547.59 2450.26 222.97 317.97 313.63 4734.07 319 696.99 781.1 13429.34 544.07 228.96 331.43 470.67 2093.87 2178.16 2333.06 2136.37 1900.86 2067.26 1971.18 1795.81 1975.88 PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) 1134.51 3167.2 4422.45 7443.07 5161.52 20547.8 843.42 3293.15 5291.79 903.83 1449.88 15588.12 3246.96 5765.37 8966.16 5209.91 3126.07 8561.84 3819.29 2521.92 10071.89 3444.06 2534.25 1100.3 6333.81 5279.91 1067.43 5212.91 4495.45 2567.19 2551.11 3721.98 7085.76 4879.37 3101.64 6283.15 5376.23 513.08 3235.11 2581.72 1792.55 4937.66 772.42 1335.67 3600.36 2328.95 16699.04 8827.87 2593.46 1871.38 2793.44 6552.26 1717.09 1181.71 8922.79 19427.34 1192.74 3703.61 7401.14 4108.88 2344.2 1844.82 1930 3597.13 2574.36 8080.42 5000.84 2095.77 700.39 6481.54 5607.13 2864.79 3608.84 6869.74 1150.03 4525.62 4644.72 3615.91 4721.73 4864.92 6266.67 4820.49 5042.78 4503.96 Tiliacorine 46793.65 15579.87 2883.1 4205.36 40258.22 29872.38 15448.41 62307.12 59384.49 33725.22 23333.42 12292.24 11548.91 14049.16 34295.23 37647.21 18175.34 41422.73 33149.86 104729.64 34854.48 6408.28 6155.47 7203.71 20494.39 27170.25 7425.55 23960.06 50459 12836.77 41725.38 30012.4 24779.4 5700.93 7534.82 24628.54 23057.99 6018.86 15193.09 6482.05 61657.28 49969.55 8399.58 15161.94 76983.67 12670.21 80296.42 24441.16 18045.21 54931.01 21441.91 14421.68 10701.87 14459.36 32554.02 13517.1 2455.34 2005.28 42230.96 5625.26 7081.22 8325.72 18553.95 9846.18 21204.51 39510.88 31784.55 27166.06 31077.79 45530.64 46983.14 28934.27 22313.87 11658.54 13242.13 38293.38 39641.89 36360.7 39941.38 40069.58 38340.96 38314.22 39488.39 44478.04 Auraviketone 3143.05 3105.98 5384.77 111114.58 29746.62 13978.16 18657.18 5315.25 1295.46 7156.43 21974.05 8153.76 8372.07 8015.88 4152.53 5457.54 13466.56 7081.14 4332.02 642.75 2059.58 1010.91 5466.46 9585.65 727.66 2787 752.11 7420.81 7418.09 6295.53 649.38 7808.46 3720.52 9450.75 6133.19 1073.4 3211.53 2300.3 9195.15 1651.12 3804.83 5216.15 1378.6 21246.26 8934.04 7108.87 5737.06 1091 7342.28 7101.13 6703.67 1235.74 11766.26 11422.25 7048.24 13331.17 785.7 4854.49 4269.1 4123.83 8032.64 12661.78 5851.96 6023.05 7111.9 1146.56 6399.58 13027.12 9461.26 4054.5 4830.75 1167.7 9579.93 26349.38 14075.53 8550.9 7492.62 7861.65 8631.08 9609.67 7807.98 8449.23 6939.61 8486.9 PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) 14630.52 3866.36 2944.34 6673.3 5538.43 3616.14 1677.01 15320.49 9707.46 11067.3 18461.37 12145.32 5416.61 9697.85 14064.23 14774.76 5087.4 5039.04 19841.89 10965.67 6317.27 5686.66 2443.8 6095.22 5831.78 5646.3 3603.74 4756.12 2958.65 1518.39 2549.11 6539.03 5589.23 2963.2 4136.79 2257.89 8524.14 2150.14 6456.14 3288.86 1122.02 11694.34 8055.73 4336.03 15395.88 5745.8 10077.47 4293.7 5014.59 14331.95 7513.8 7037.71 5626.94 6807.78 6783.13 7691.66 1624.31 1613.64 17754.98 2323.35 4947.04 3428.89 9880.73 6696.81 2315.28 9417.92 14899.47 2057.13 5439.88 18357.74 11568.34 20106.5 13948.23 11987.35 7561.52 6290.49 5993.59 7052.99 6927.85 7979.75 6947.88 6492.38 6390.65 6428.02 2(3H)-Furanone, 3-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)-4-((3,4-dimethoxyphenyl)methyl)dihydro-, (3R,4R)- 3552.03 5652.57 475.24 3408.9 13577.39 4319.51 6493.25 10697.37 4045.64 13229.57 9567.07 19855.44 3843.84 3490.74 11691.33 14864.77 4743.8 19819.84 6979.21 8603.42 6354.08 11626.28 5206.36 2227.52 5897.24 8533.17 3879.27 1935.68 5057.81 2082.44 6804.14 17976.62 6850.42 1123.6 4277.69 9731.62 7145.92 2139.94 1972 2419.66 5041.13 3417.58 5913.32 4219.18 14394.7 9114.19 2423.15 4730.37 11720.1 15952.21 1419.4 6338.32 6840.04 6330.88 9229.59 10192.33 904.32 4458.03 13465.26 5545.82 8114.38 3155.67 11518.18 7062.21 6614.86 24424.55 2920.69 7480.12 12197.34 10007.92 3113.32 10156.11 4034.54 5264.58 8628.66 7990.27 6159.71 6703.29 8460.94 7824.1 7570.8 9286.36 8136.04 8269.04 Dihydroxyphenylalanine 2144.65 4216.3 2254.15 1187.3 5016.32 5917.63 3143.67 4068.99 4419.02 1137.32 1763.98 1368.45 1143.24 1916.14 3539.28 2130.18 1495.89 2853.13 2023.36 3985.34 4991.52 4353.69 1851.75 1875.74 3324.45 5046.29 868.23 2067.89 3813.8 1213 4869.7 3065.17 3018.29 1691.56 2518.08 2474.49 4845.34 3114.55 1875.04 2091.23 4333.5 3433.88 1717.03 1807.93 2159.06 2277.92 3911.75 2576.84 1537.59 2713.52 3838.45 3353.42 1984.76 2416.14 3232.13 2803.57 1354.25 1183.34 2011.57 3747.61 1476.48 1536.46 3988.77 1392.15 1917.05 3525.34 4992.38 1280.97 925.51 3124.15 4678.01 1752.81 3533.69 3752.42 1859.55 2403.94 2292.9 2292.32 2526.83 2359.58 2311.4 2516.17 2380.62 2310.65 PS(14:0/20:4(5Z,8Z,11Z,14Z)) 5114.03 6261.14 2011.73 969.87 8838.91 5167.35 587.55 21705.1 18655.79 14255.2 3702.64 14341.19 923.44 12224.4 48170.57 3509.34 728.88 36844.14 46751.65 25679.88 14984.43 8229.74 1627.81 4381.89 17296.93 10362.17 3043.08 429.51 13618.1 8637.67 4326.38 19258.6 10910.31 3842.4 506.12 11910.6 21741.37 1372.15 1670.8 795.91 14041.41 17501.52 3751.35 3168.65 28188.64 3668.53 17806.81 3662.68 1723.73 13552.96 9582.82 8026.2 2675.85 897.55 17792.72 13352.28 688.01 389.95 19863.22 6475.9 1849.35 5373.76 14075.5 4397.72 3504.91 17011.98 22209.63 3956.24 1476.26 26455.15 2953.39 20684.07 8878.42 9402.77 674.93 12369.37 11401.13 12345.7 12654.93 12654.02 12655.26 12655.01 12630.67 12320.13 Isolimocitrol 3-glucoside 1199.13 2871.63 1905.8 3417.29 28677.99 496.79 1168.59 3929.87 190.57 3842.68 432.65 1802.21 1669.85 1493.75 1211.36 5585.41 1699.32 1792.73 254.15 3102.36 4829.17 244.98 606.81 2527.82 1732.94 348.01 551.69 1381.81 1151.01 3228.47 1200.75 1265.57 745.14 540.8 570.93 562.07 2842.75 1645.07 1255.66 2576.82 479.67 404.37 1043.76 349.01 363.4 3712.22 2180.35 526.92 794.13 627.19 200.8 1128.92 1244 2931.66 1215.25 2665.36 1908.71 2863.31 7760.72 298.21 1669.39 1412.48 305.33 1683.92 1545.22 2002.4 1078.34 1975.37 3542.78 3743.56 2207.08 1165.09 2043.89 1396.79 2406.9 5041.53 4806 4795.26 4948.56 4792.66 5063.74 4911.2 4520.65 4954.5 PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 10782.88 9244.04 5849.63 1406.09 5588.1 2592.48 579.9 9607.5 7300.16 5268.73 5944.59 520.06 3158.51 2084.64 9921.38 880.12 1149.76 3361.15 3085.12 5443.23 1972.98 840 3318.59 2217.75 5265.65 1708.48 3119.82 5868.06 3594.6 1663.24 818.22 1090.77 1289.88 1965.4 3573.42 4428.93 12743.21 564.39 3146.9 2395.37 1749.13 5631.56 5100.41 7117.97 7637.05 2278.14 7536.14 1155.09 4330.08 2737.34 13975.58 5137.12 4303.44 2987.01 9316.85 7578.98 14909.76 1880.36 12933.39 1310.56 4981.01 3546.91 12781.03 5293.18 3706.29 10395.01 6612.24 5718.03 7395.01 6992.34 5307.82 5490.7 4771.15 2259.06 4574.98 5194.46 4392.16 4433.83 4002.88 4067.7 3988.7 4105.48 4387.16 4131.49 beta-Lapachone 13206.62 10598.08 15607.53 17667.39 21374.41 20224.62 14784.1 19998.86 29139.75 11404.55 14962.77 28035.2 30653.54 18886.31 15583.11 35026.31 19943.56 23533.03 36224.61 16375.82 8801.19 7368.21 13106.13 7111.62 6565.09 6046.94 3897.21 5956.25 5814.14 7885.77 5732.83 11129.11 9450.75 6043.03 10605.95 13600.46 9099.31 2208.62 15567.6 10770.56 15023.38 12542.55 12162.64 20680.37 20744.77 12549.19 29013.88 11626.35 10059.57 18881.22 13324.3 18790.71 13517.25 11578.65 20779.88 16394.36 20216.32 14114.39 19659.3 16070.72 32308.48 19560.55 15110.5 25660.11 18313.45 15567.44 20492.14 28610 17972.66 29602.14 19495.85 20015.68 20371.47 18728.63 20669.23 24655.61 24657.91 25659.38 20962.41 25631.21 25580.14 25680.76 24891.26 27659.76 2,6-Dihydroxypseudooxynicotine 24961.36 21973.45 7037.47 16154.64 930.7 8159.58 7205.37 10708.97 10425.37 22140.85 18947.43 15163.52 9165.03 24228.37 14303.64 8511.64 15264.24 19750.29 2972.45 13746.12 9400.24 36083.42 6690.09 17433.08 9774.25 37409.19 23709.97 32768.19 5211.23 39634.15 32532.68 11083.68 10361.95 13607.35 19863.4 10229.61 22829.3 41049.94 29879.09 50220.25 18515.86 11951.98 17217.36 52755.5 15511.68 15647.48 10046.92 10652.89 4528.47 9034.55 18054.96 13910.05 13865.66 12622.77 5967.68 18808.13 19119.97 32579.09 15673.51 67983.1 17809.03 30769.03 8288.89 6788.99 17856.76 13050.72 26429.65 24726.43 41868.28 8811.61 21309.1 23334.62 20054.63 15996.51 16003.91 10392.59 10612.54 10371.96 10474.66 9739.02 10614 10552.86 10927.11 10376.06 {[4-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,5-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-2-yl]methoxy}sulfonic acid 3428.29 6645.56 8667.07 7600.83 2289.49 870.18 2373.25 1554.54 1620.3 2714.14 3866.05 2327.57 2519.32 7653.46 3574.81 3930.54 4240.95 1101.46 1277.82 3490.38 4058.84 4658.06 10941.38 11391.7 6092.03 1515.83 17351.52 12454.8 2676.86 7477.43 1593.05 1306.46 5485.76 10286.2 8413.57 2131.81 3977.23 9788.84 12672.57 14972.04 2559.26 2331.67 10330.86 6570.89 2027.6 4455.43 1589.65 1430.98 5840.25 1866.87 2071.89 2398.64 5258 4718.85 2931.42 1702.53 11882.37 15452.51 2606.78 3047.97 3604.4 4285.82 4555.79 1485.96 4348.49 2231.68 1991.98 4123.51 1411.36 3416.32 5153.77 4612.7 1538.15 6743.59 6760.43 1864.3 1869.85 1963.27 1966.12 1535.14 1972.71 1899.16 2135.75 1965.02 3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}oxane-2-carboxylic acid 28077.91 42917.43 1005.77 8058.33 5845.4 1640.65 678.89 49602.45 40275 34110.6 29785.05 41344.41 3405.14 9554.36 37880.31 13042 6938.82 50056.14 75893.99 30326.47 42335.83 3765.02 12828.41 14166.06 33148.51 29597.56 2691.04 3172.4 59177.34 33073.67 53977.79 56362.91 45778.54 10384.34 2512.86 41539.05 33464.67 1679.26 3726.03 3279.88 15870.49 52417.17 41629.66 11666.99 77960.53 4200.54 66658.28 56899.27 37557.09 90762.95 14934.39 37386.22 7958.69 6323.76 7679.94 23584.28 1038.6 2765.63 48715.62 9285.59 13050.43 3385.73 22770.29 34759.8 56030.03 15044.15 48521.05 23295.21 13063.79 42169.33 37635.24 25079.88 40899.83 7035.99 8642.43 36263.71 23130.13 37436.94 39829.46 44219.74 39780.65 37686.23 39173.71 35599.63 PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z)) 22563.75 16792.75 13520.5 17326.21 5759.23 16425.28 7607.01 35747.04 10214.32 15674.93 25348.12 14545.66 8568.03 15850.29 14155.93 4501.68 6722.39 12729.6 8863.97 8377.95 5944.98 2442.32 8993.48 11235.07 10350.04 7357.48 4836.07 13485.62 20454.69 7787.52 2315.2 2233.51 7929.86 13453.14 22311.78 9043.03 16697.08 2538.29 14508.59 9446.47 2458 15133.94 21831.75 26014.63 7839.8 10321.47 14655.03 15067.6 10028.03 12801.96 14930.39 19493.17 18811.69 14916.49 18524.98 20894.24 16271.28 13383.09 7928.91 4035.06 21156.07 10914.33 26158.25 23633.04 22092.89 29544.98 16069.52 22985.96 16422.24 18778.89 10153.58 9994.46 23266.5 17909.38 14846.74 16582.92 15964.85 16729.04 15413.51 15430.4 15758.46 20352.67 15409.57 10308.45 LPA(20:3(8Z,11Z,14Z)/0:0) 3436.65 1435.19 1591.61 368.2 4229.51 6710.01 1960.95 2276.34 1579.07 417.32 1834.31 7398.86 3024.1 1488.18 1973.46 989.93 320.84 1398.46 3535.72 1228.6 1493.25 1338.3 1118.53 1610.29 1058.51 377.56 515.47 1753.24 1580.11 1838.15 496.57 2401.76 903.17 1230.14 1127.53 1128.14 1652.12 656.03 729.07 1009.1 3836.87 4871.88 3376.34 4301.03 9389.96 3145.43 2133.44 1639.13 1142.13 2225.55 2420.84 961.99 2936.61 519.43 4267.04 3494.38 2294.61 5307.86 337.19 1262.56 1148.25 1492.11 4643.88 1622.64 1712.12 10015.12 2623.64 633.43 1720.5 704.71 1558.68 647.01 894.24 1650.6 4720.07 2712.82 2501.32 3647.22 2583.97 2950.91 2495.13 2989.85 2021.28 3126.08 Acetyl-maltose 7812.58 8436.13 13082.68 12166.93 6845.55 1901.45 11976.31 11550.38 7744.28 8124.81 6757.65 22369.72 6217.58 11669.55 7998.37 9585.56 8067.58 13291.35 9287.4 5511.64 6866.56 1589 8680.65 8210.81 8730.84 2153.6 4373.26 6056.73 5656.3 970.81 3183.25 4518.45 4946.65 6607.47 11676.32 4610.17 7071.29 963.24 11256.9 6182.8 957.66 4199.02 10988.02 11977.51 5653.88 12023.41 7457.21 7588.45 6592.15 5465.52 8977.29 12473.71 11513.89 11181.44 6065.5 8776.77 10523.1 13658.3 3754.4 7980.27 11307.14 13626.56 20627.85 15176.83 12566.35 12865.57 8787.17 7187.98 11251.77 13763.97 8561.64 5796.8 8457.31 11484.16 12860.78 9509.75 9901.82 9758.59 9758.73 9749.95 9906.25 9901.48 9900.07 9837.82 Vulgaxanthin I 964.41 326.73 1697.02 569.79 414.42 1206.95 2693.89 983.48 925.49 550.44 723.81 799.35 1026.87 600.52 758.55 1005.59 962.1 323.51 900.18 617.94 2673.74 501.36 768.27 595.63 1177.96 704.43 412.51 427.37 399.68 644.08 582.47 559.3 1668.23 1220.98 596.17 976.65 562.91 531.12 364.61 786.42 890.15 531.82 481.3 568.41 523.7 658.11 1719.06 371.28 855.71 1324.46 560.12 1889.56 614.74 1085.31 1452.07 1741.49 411.66 429.29 4267.78 2702.33 812.04 990.95 1262.81 578.18 550.99 392.38 617.18 355.56 521.27 653.02 2420.12 293.9 706.93 415.16 720.31 1308.34 1399.76 1431.49 1130.74 1406.61 1401.37 1276.19 895.74 1269.42 Propyl 1-(propylsulfinyl)propyl disulfide 51629.18 51295.32 42810.85 47154.69 20769.06 24546.26 27678.85 33712.53 35407.41 50231.81 43515.64 55849.01 33064.07 44386.87 41503.17 34022.05 37330.98 45904.55 31240.79 31773.61 41970.56 56485.2 37307.69 53626.25 47754.41 60198.53 59693.29 60943.87 42804.15 56342.17 56673.74 44883.94 43673.7 57026.95 90768.19 49178.27 55884.69 81282.46 69404.69 69296.57 44746.22 47499.86 53595.74 68183.89 41240.49 41201.8 36306.65 38199.6 35811.11 39013.72 46414.74 48657.92 51490.51 47949.91 41072.58 53747.65 63651.46 108590.54 47454.69 64060.1 55582.66 53930.59 41251.28 37194.7 42535.38 43094.4 46743.91 60238.07 56250.84 36925.65 46907.33 47369.27 42021.29 43763.45 43651.45 59330.97 60326.76 59328.74 59688.13 59434.06 59388.04 58552.45 59327.6 59607.58 [(2R)-2-(10-methyldodecanoyloxy)-3-phosphonooxypropyl] icosanoate 407910.36 298114.98 322184.03 507107.06 160378.03 204499.03 272998.47 458291.01 506340.23 482327.66 437593.2 329568.23 406945.49 397072.32 554252 436160.6 528993.44 290509.44 630092.33 367066.96 264221.35 70637.61 319892.35 289637.53 277433.38 140418.9 206603.83 175467.56 341309.65 96404.81 47446.22 216827.75 227574.04 231454.34 244185.89 298126.36 301479.61 9009.46 369727.8 133447.97 241610.99 292087.08 403338.13 442483.96 426140.95 355251.61 534593.06 397173.53 362419 333259.27 256860.27 353113.14 333303.65 304492.42 385079.72 396882.66 314957.67 344046.33 416453.54 159722.06 597494.71 377208.94 475631.48 483975.71 434158.92 358311.75 250073.95 416329.79 275504.6 504392.13 516106.22 772717.29 449033.62 494478.52 583861.88 438615.01 433964.14 438377.45 438389.91 438431 438393.15 431696.05 434011.81 418756.8 3-[[3-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one 5450.22 1499.14 840.74 20404.32 9897.79 9039.66 7801.04 6850.39 7969.48 4163.41 5803.21 9899.06 18888.14 4444.49 3629.94 8860 1054.96 2909.74 9207.56 3436.97 3536.26 1400.14 9469.4 1438.99 4278.18 1653.74 3099.85 1608.61 1737.28 1549.29 2785.25 4982.38 1707.31 1085.14 17338.63 3593.01 5059.92 507.59 1688.6 1293.4 5251.94 3176.38 2441.77 1889.71 9387.08 34122.31 5315.21 6274.68 2297.69 4066.66 1999.01 7204.64 2980.04 4750.75 5737.57 530.25 3132.2 602.2 9818.53 3516.65 2140.7 2880.18 3266.31 1971.87 4240.36 8117.2 2604.27 4583.23 1164.95 7477.22 8580.73 3626.66 2805.75 970.17 10713.05 8032.93 8274.44 7511.32 8665.75 7655.84 8198.35 8331.97 8312.17 7682.17 Ophiopogonone A 5603.26 16069.63 2345.45 1705.21 2138.56 21167.43 5452.07 4527.43 4803.78 1605.83 4038.94 10293.36 11502.72 13229.92 3388.48 4231.48 4878.16 25669.63 5645.23 45677 3945.66 4618.52 1118.3 1738.44 1631.43 1430.27 1071.32 1484.84 5273.56 1078.94 7836.88 23396.83 2418.99 694.42 740.73 3138.38 1786.51 1516.45 2367.76 1159.29 15434.6 7232.04 9276.68 4891.29 36611.26 8889.59 5280.68 8369.88 1173.12 23969.74 3535.96 9836.11 4600.43 7998.34 3660.29 4148.68 3549.02 1627.88 5568.48 3089.87 1007.48 5386.34 12325.04 3964.01 2782.36 3636.18 35891.31 2890.39 4950.85 2209.6 30927.93 3677.24 2403.92 6697.49 6655.66 7451.43 8135.15 7452.6 6891.32 7956.75 3948.17 6865.84 6597.52 6850.19 Decaprenyl phosphate 2300.15 3120.04 823.67 2848.66 20536.44 9335.66 8137.23 5177.33 3011.08 949.24 3495.56 2571.55 4938.35 2566.53 5142.79 2195.76 3629.84 3461.66 4971.09 3345.51 4654.1 2388.61 2042.79 2679.37 2578.03 1639.89 1801.94 993.95 3747.66 3725.55 875.64 1376.67 1812.86 1481.76 987.9 2325.94 3316.53 419.13 1846.46 1049.48 8506.84 4932.07 2905.44 5318.06 3626.35 4983.75 2563.99 2983.66 4105.08 3206.4 1636.83 3607.34 1992.66 2342.87 5563.77 4468.06 1881.21 2704.68 6896.57 2730.4 4091.15 2778.84 3886.1 1529.47 2811.5 3898.97 4253.9 3306.4 2177.61 7352.87 4893.6 6403.56 7115.22 5398.64 4748.83 11740.42 15650.92 3952.1 12606.43 21346.37 27074.39 25671.48 21675.26 25275.93 20588.72 19966.21 19712.07 19363.66 18129.97 17559.58 12260.33 14593.82 17068.2 21182.95 23539.58 5423.74 5817.67 4577.32 5842.02 6133.63 5670.1 5616.96 6265.89 5832.44 Malonylcarnitine 34190.4 62286.16 137158.18 108337.82 50581.89 8658.42 62823.2 27563.99 24397.05 26051.83 81699.83 62032.81 44465.34 75813.22 68454.94 66717.77 51082.52 58399.82 17610.92 19263.54 21142.02 18756.33 72906.51 75304.83 52790.57 32139.27 48371.58 40034.8 29127.38 15604.42 82916.72 15798.06 27261.77 103041.85 171316.33 39185.73 56536.34 16833.71 54471.48 101014.56 18443.24 31136.15 115035.65 79918.26 37801.62 67703.69 43270.39 80169.65 22125.83 31611.56 47036.06 79857.22 96851.9 109366.9 71479.23 107683.13 256544.84 134213.68 30112.34 51905.09 78731.5 93935.41 122463.73 168828.29 70131.74 64847.32 47819.51 54366.67 73187.14 40477.59 34659.09 45976.24 157304.17 177499 163172.42 75584.23 73294.37 74914.78 75997.44 73344.88 75546.38 70353.6 72969.52 72993.09 Na-p-Hydroxycoumaroyltryptophan 22878.63 22713.31 2994.45 5056.09 2250.7 13712.43 6072.04 34400.25 39838.84 22952.43 17411.67 5908.83 6120.95 7076.26 29199.26 14722.08 2995.32 54519.58 27006.85 47696.18 26736 1608.06 6273 5679.87 50798.82 18764.72 607.24 8846.13 8514.67 3451.32 42661.96 18099.07 13151.59 4564.9 3325.42 27652.59 46798.22 1785.27 919.15 11724.93 15342.47 29172.1 15279.12 4192.21 48951.62 4417.99 57479.29 17974.68 878.05 8480.88 15618.33 19090.67 4497.2 1714.85 25212.61 21803.24 2075.22 9128.01 50830.56 1295.21 11260.13 987.01 21362.33 20279.29 29573.79 25066.49 14249.07 12621.71 20486.66 54551.13 26790.54 34489.65 21241.5 7432.39 1422.58 21408.27 21045.54 21228.28 21091.45 21221.83 21401.81 21196.97 22302.98 21108.61 All-trans-decaprenyl diphosphate 4464.19 4011.65 1341.95 3789.17 2042.48 324.48 2429.47 1651.16 8039.01 4342.48 6815.68 7007.97 4469.58 3699.54 3918.78 5990.84 520.86 3260.9 9711.28 1886.37 3060.85 1550.75 3510.09 3015.37 905.94 478.8 2620.32 4343.07 848.58 2093.91 793.96 2083.24 1371.43 4927.08 588.33 473.29 2342.29 1094.85 4204.87 666.81 3481.5 5298.77 3907.98 5157.39 22827.23 10620.83 5178.12 3681.24 5239.71 6617.19 18554.58 1119.69 1459.54 8930.89 1031.17 2245.19 1510.14 354.96 3081.65 2197.57 1160.81 7721.83 3554.9 2141.34 1177.06 4518.94 1408.59 7750.31 6108.1 6780.58 3144.85 5983.34 4353.31 5128.17 12598.92 8547.69 6904.13 2165.08 6817.68 7646.88 7607.24 7789.05 6995.83 7762.07 (1S,2R,4R,5S,7S,11S,15R,16S)-4,5-dihydroxy-2,16-dimethyl-15-[(2S,3R,4R,5S)-3,4,7-trihydroxy-5,6-dimethylheptan-2-yl]-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one 6615.28 13758.41 5395.53 9117.67 24470 5418.7 4430.81 3250.35 7199.23 6873.19 2764.98 8981.35 4822.87 1941.96 2686.25 6494.5 2859.03 7298.18 12305.26 2667.2 5223.54 14053.34 8489.27 6854.2 7762.56 2685.26 10584.56 5385.02 5202.97 3564.14 3609.48 13577.19 3488.64 5033.64 2657.82 4946.45 13267.72 737.66 6996.83 1702.85 1945.1 5147.37 8344.46 704.84 6331.8 1998.89 8559.83 39938.15 49758.83 5375.62 4373.11 2282.31 9670.43 6374.99 47189.91 1893.82 6594.73 8250.68 6724.1 1706.55 25533.41 10641.8 6697.84 2863.55 1583.54 5907.92 3746.95 5881.01 4810.71 4699.7 2484.09 3103.88 7894.11 2288.62 3236.88 4020.1 3967.58 2880.02 3681.59 3670.62 3746.13 3887.13 3914.65 4025.85 PA(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 26314.9 11931.66 3565.94 2507.28 16710.6 3059.05 2895.05 19781.59 25221.87 16685.4 18783.28 5298.93 22495.61 8493.03 19395.65 2881.55 1565.45 9310.8 27265.51 6603.48 10856.69 291.32 5246.33 9654.5 6875.17 4829.5 12690.24 5926.27 5661.06 1892.71 9305.24 7214.57 1913.95 12300.85 5208.96 6922.93 6488.06 2595.56 7479.65 6838.64 9057.76 20116.95 7916.05 13864.73 28869.98 12646.15 6433.56 2951.74 18907.51 30074.16 14960.69 9033 8199.13 11794.61 10657.58 10713.45 3950.16 3191.58 5016.77 3789.15 15258.68 15190 15666.44 283.12 1719.05 23340 8089.06 13342.79 8251.02 20856.67 21187.58 23692.75 12953.97 13983.02 13394.67 25372.23 18507.62 20604.84 16547.42 16155.66 18498.08 20591.63 16512.01 20761.44 2-[2-hydroxy-4-methoxy-3-(sulfooxy)phenyl]propanoic acid 3021.41 8355.93 14007.34 7885.71 2453.96 3200.98 3386.71 1259.52 5000.54 4256.03 10629.23 770.33 2502.4 6120.61 2689.33 3650.75 8711.5 1592.99 954.99 5969.16 4796.95 3668.24 11339.86 13535.3 6827.97 5291.52 19548.62 7315.62 1832.38 5948.12 1307.42 1208.34 5450.34 8933.44 11431.97 6508.55 10804.32 13940.7 9272.99 22488.41 3212.77 2992.44 12099.72 16137.47 3447.9 1917.99 6231.13 3893.53 5668.61 4352.27 3032.2 10307.07 10527.55 12308.09 8058.12 9379.02 20964.48 15568.07 2467.88 3240.02 11819.83 10264.86 10430.53 13726.19 9272.01 2327.77 5245.96 5761.17 6984.46 4339.73 6170.5 8258.1 2828.24 8470.99 9097.11 3142.87 2657.16 3284.79 3542.09 3520.49 3767.24 3535.82 3449.02 3546.72 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one 7660.26 6229.15 4323.84 3387.49 4894.16 1619.83 2787.42 7684.13 4356.24 2659.97 6199.26 9098.14 3861.63 3643 9391.47 13732.04 12851.15 1165.67 5523.39 10622.25 7293.08 8344.66 17693.38 4500.88 4592.83 3086.42 2246.1 2997.18 6865.32 5257.89 4972.14 3452.26 8282.39 5760.71 4565.57 2411.21 4724.53 2631.6 4406.54 3327.31 6900.54 7472.77 5826.03 2507.09 11987.98 2268.17 16170.25 13209.31 5793.99 9539.53 8480.48 6964.75 3157.89 3430.39 6966.92 8577.06 8097.54 4708.25 2713.27 1513.06 3202.68 4214.1 11889.06 16196.21 22142.33 4268.34 8943.25 3712.03 3893.39 11979.94 10574.75 6967.71 3375.07 11071.86 5317.9 2461.79 6756.47 7148.45 7161.31 6759.31 7143.9 7268.37 6736.28 6711.09 {[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acid 11082.27 10103.17 4121.09 4225.45 17575.41 8584 7465.69 14396.44 16006.19 8106.02 18511.37 15341.29 10630.82 10363.84 15326.43 25442.5 8898.52 30753.56 16762.6 28794.48 13643.49 6289.68 9948.01 7045.08 11123.61 13254.51 6950.9 12455.28 19699.18 3868.93 10475.44 12413.54 10574.72 5672.98 1984.95 12598.31 15938.37 2069.3 9144.21 6204.19 19673.15 24910.05 11115.34 11703.52 13849.52 7779.38 9319.52 14004.77 7229.41 15553.29 9694.63 12642.59 9041.05 11886.69 10969.56 15205.09 3020.92 4789.53 17554.57 9123.67 8621.23 8834.86 11618.05 10442.59 7225.67 13311.58 18102.55 8752.5 12237.61 18959.29 11985.21 10813.75 13087.27 12569.39 11472.77 13573.01 14255.47 14270.85 13938.76 15040.19 9729.02 13516.6 14365.12 14142.63 Physalin E acetate 1176.37 225.92 242.8 342.03 7655.35 9246.13 2367.19 5072.59 5005.55 1025.41 2057.94 6592.51 499.2 471.15 10407.18 1510.44 990.2 2513.7 5776.93 4947.73 3562.32 2843.47 213.06 1035.6 1089.43 2010.42 279.23 368.06 2198.56 1656.04 1092.36 2370.52 1617.63 442.18 1171.78 1353.74 2045.69 553.32 1723.17 298.91 6677.24 7918.76 1856.06 275.66 31425.4 328.84 10101.41 3992.03 773.37 566.48 4815.89 2597.23 459.46 500.19 3525.15 372.9 218.15 1053.78 2226.1 1545.99 1165.01 238.28 5326.73 339.77 1624.74 2522.6 8153.98 729.64 496.1 2411.73 4723.82 815.63 486.53 1807.26 1805.08 4530.35 4925.26 4774.1 4937.47 2480.04 4904.62 4571.12 5608.98 4994.15 [(2R)-2-octanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate 7577.25 1829.97 1090.67 669.25 1609.56 730.59 2016.96 5847.18 6749.39 1446.74 1451.37 10913.19 1255.47 2752.25 3710.77 3052.43 1398.09 2610.29 3661.27 1915.19 5723.53 1546.27 4013.58 985.11 5015.4 4344.18 857.22 539.96 3336.05 1484.56 3252.49 5298.45 2313.65 1949.26 928.33 4397.54 3694.96 1262.84 650.66 1120.34 2444.91 6381.92 930.31 1183.5 7914.82 1706.82 3901.36 2967.19 3990.68 3343.88 7244.77 2127.39 915.8 2071.05 9077.34 4709.72 1643.57 740.08 4878.44 5827.57 2864.61 921.93 5984.62 818.11 568.25 7179.22 4519.82 2027.92 3736.88 6240.05 5611.41 3922.47 1508.26 414.34 2113.57 4290.85 4257.41 4281.07 3611.52 3722.32 4405.88 4829.75 4403.65 4382.62 PA(18:3(6Z,9Z,12Z)/24:1(15Z)) 8384.68 15722.43 26534.66 26554.61 11399.7 3304.01 24604.39 29217.86 43676.05 44084.49 4532.62 17815.91 19932.5 19717.28 38869.81 36840.98 29064.77 27589.74 58765.98 36198.45 4226.95 10582.97 12194.78 9201.09 4012.6 9503.84 16244.78 9346.29 4808.72 3815.21 1588.74 41417.71 8312.62 21347.88 21300.83 13365.24 21278.55 3274.21 21696.67 6705.02 3088.96 42183.95 53484.73 21541.87 23374.85 27572.6 24935.36 35192.38 53580.47 3478.48 11938.95 28799.09 33330.96 30277.56 23754.34 19798.14 31996.55 30717.87 19454.75 2252.68 60938.36 38912.57 57268.69 26974.02 38017.55 29996.66 23539.78 42227.7 18646.23 3097.44 31785.99 78459.63 32596.98 20609.26 25672 16680.18 22210.66 23096.98 23191.97 22016.64 23186.6 21995.79 23178.6 22172.71 Cinncassiol C1 19-glucoside 5455.67 5986.51 5972.26 9018.77 7192.63 7091.41 2083.56 1537.49 6170.82 6756.88 2780.21 6547.79 12939.31 14450.96 11432.84 4576.33 11222.37 7152.42 1917.09 10019.82 7651.83 6622.99 2736.9 8181.67 3433.61 5455.27 1659.92 2842.07 14918.11 6336.79 5075.86 2182.09 827.61 4730.78 5791.01 2733.71 1452.33 593.43 5616.28 4533.47 3932.66 6767.66 12326.58 17987.71 11446.18 4611.96 6547.57 12459.5 1363.29 8825.92 1508.54 10831.03 5494.41 12806.39 7931.24 11896.64 5861.39 8772.42 2087.78 5056.17 8105.47 4720.18 6012.59 4452.4 8396.07 6490.06 6726.16 9812.09 17434.86 6271.29 10397.8 3994.47 11138.84 8549.46 17787.19 11096.35 10665.58 10929.63 10350.02 11063.55 9897 10373.96 10065.21 10747.23 Cystine 6322.25 12000.73 3372.48 2614.72 4656.48 8586.3 2561.89 7910.69 12146.11 1478.13 3959.01 979.52 771.34 4309.99 12518.51 5327.08 3153.52 8933 4498.07 27379.31 4673.74 1025.68 1651.39 2004.75 2860.08 3238.76 696.46 1249.25 6790.38 1503.3 3904.89 6977.82 4545.46 1202.39 2222.42 3839.97 5958.43 1336.29 3032.91 1322.24 7793.57 5769.51 3656.61 3946.07 11073.81 1386.07 8829.62 4864.55 1552.38 6586.68 3973.1 1443.65 5168.39 4972.18 7014.7 10980.71 4349 3202.9 9417.94 708.5 2132.62 2742.08 14972.28 5831.86 9039.82 3701.64 18223.64 2386.37 4722.01 11409.28 4234.76 3316.41 8323.18 2041.96 2291.06 3126.81 2964.86 3198.2 2314.47 2886.16 3065.74 3232.77 3281.38 3183.94 Lavoltidine 136.32 16.32 21.87 4251.63 59179.47 82821.29 35623.27 534.63 106.12 19.75 116.51 428.96 2330.07 51.46 58.48 1455.44 329.78 49.88 83.01 33.45 212.21 80.51 33.97 35.67 155.29 104.79 122.48 943.82 239.34 99.91 30.85 509.54 544.86 816.59 35.82 430.67 443.72 123.97 53.98 26.23 10916.94 1031.91 43.73 37.26 51.71 1398.24 17.25 30.53 34.27 132.39 363.85 79.28 74.51 202.18 873.68 20.19 1303.79 21.71 494 1456.23 29 505.54 871.89 51.27 50.12 519.21 18.34 16.36 18.27 22.6 15.2 103.16 38 60.34 460.86 4226.89 4294.41 4227.61 4263.88 4228.33 4228.13 4275.63 4147.71 4271.53 (20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione 10073.65 8061.25 5228.72 9681.35 80355.63 28832 15853.15 10389.79 9801.55 12900.69 8534.42 29055.49 10813.81 9912.03 12742.52 16528.46 4191.87 24305.56 22772.11 2636.45 10504.29 9966.64 14640.08 5002.9 18288.21 9414.16 4626.13 4362.55 15698.91 3539.97 4098.1 17437.06 15031.67 9673.46 3157.69 4235.31 11839.12 2734.24 3738.59 4888.56 4119.45 31878.19 5576.79 5136.05 32733.25 22195.66 4582.57 3973.43 20672.78 7881.52 31042.42 12321.54 9884.86 10654.6 35909.6 9160.23 5398.81 5017.96 18176.93 11724.62 9200.12 9416.82 21476 8386.73 3406.26 23292.46 6221.94 10285.34 6068.53 11084.65 4001.59 12522.78 7712.57 5585.64 10760.51 16555.56 16548.31 16562.76 16544.37 15552.07 15690.79 16815.31 14299.8 15577.13 13-(2-Methylcrotonoyl)oxylupinine 595.84 1235.29 11016.01 18689.97 41749.23 54965.82 64344.13 2506.45 1761.12 497.88 702.78 1211 14472.92 890.33 3048.8 4026 3258.3 531.46 2874.36 1560.39 1160.82 36628.81 652.47 442.78 583.44 281.29 579.25 496.84 2337.6 306.25 518.57 1035.01 2381.61 1331.38 425.41 538.72 307.68 606.71 519.63 438.53 16129.25 2928.65 853.8 1392.4 1103.32 20241.35 267.72 2852.15 282.57 433.61 705.32 648.33 1341.13 2381.93 5008.6 1366.57 3094.95 3037.26 1228.6 4209.52 2118.36 2915.78 927.71 9502.61 2682.83 2184.71 1385.36 754.91 572.36 2628.08 1248.41 720.71 638 5338.87 5376.58 8797.67 8865.83 8891.01 8853.26 8828.47 8875.08 8798.52 8797.64 8878.28 Mycinamicin VII 673.18 1719.6 16647.74 11875.15 23721.08 2533.82 15925.52 3204.72 2813.62 943.28 2765.31 6195.24 18214.46 4034.21 2008.45 14467.7 4966.94 1704.58 8125.4 5072.7 11655.87 30823.6 12637.35 2639.38 584.21 605.99 335.56 323.8 5886.1 1648.59 799.88 2956.74 711.64 4377.1 1822.43 2596.02 1122.35 579.07 4027.6 597.5 1130.08 2684.38 3914.66 2698.21 4200.34 6663.19 4696.76 8420.39 4046.13 6463.89 1983.31 7144.67 2945.01 5188.19 14916.68 3765.56 16692.54 4228.76 595.54 1374.04 6324.81 6578.46 3892.23 23642.16 2759.76 2321.93 866.09 4355.56 1407.38 5547.31 555.79 2664.14 761.53 5454.82 18862.78 6311.91 7214.73 6512.35 6322.24 6476.55 6327.83 6375.81 6286.17 6510.18 6-[2,3-dihydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 6098.98 1763.59 656.4 923.37 4882.23 1708.25 1104.53 8297.01 5667.42 3596.2 2458.69 6475.97 305.1 1296.86 6772.89 4438.36 726.64 6750.18 3020.92 3175.81 513.63 761.93 1870.47 421.22 5129.41 1411.23 1212.53 1050.08 6569.42 300.3 2355.64 3552.78 3180.68 1079.4 1387.95 9419.1 5761.32 446.98 1837.97 1725.93 1933.34 7795.65 1624.53 1649.3 8789.13 1691.63 9112.09 2140.66 341.94 360.69 3513.56 2784.59 1383.62 1590.66 5705.98 1752.59 696.5 958.03 6500.53 1723.62 1509.4 658.58 2401.53 2019.51 4424.11 6611.83 1475.2 2775.62 2668.53 8709.64 9858.73 5248.29 4466.94 1754.49 1681.42 4667.2 4667.8 4200.69 3969.61 4393.16 4228.87 4388.08 4775.83 4714.81 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 9167.35 2616.96 926.37 743.3 4787.81 777.74 3767.77 28655.74 22237.88 15662.7 4674.71 14743.95 1337.23 5968.09 30781.03 9141.44 6737.03 41096.64 23913.13 37652.83 8152.16 4321.5 298.07 2098.07 22731.99 8097.56 551.56 811.58 20191.46 1356.27 19179.09 8910.28 7814.57 442.52 705.21 23116.67 30019.25 1285.07 2049.22 1784.18 16092.72 32582.14 5385.32 1996.97 29828.62 3527.14 31077.17 12514.15 3998.62 18502.2 2208.51 6268.5 1389.77 785.65 17116.57 5435.63 1207.68 2118.68 30647.47 1772.81 1654.85 1188.38 9442.87 3233.95 7746.87 11888.97 9269.3 2430.08 9146.26 28427.14 6889.9 2305.74 17724.73 2810.29 2424.84 17994.76 18111.75 18418.96 18124.18 18545.06 17722.47 17565.5 16357.8 17820.65 2-Formylglutaric acid 38844.41 53196.91 51295.54 41920.81 6522.99 16632.15 26532.89 39519.05 38773.45 267298.36 44201.38 39448.32 21491.69 44640.77 34675.59 36158.5 34748.12 48100.01 11589.05 32396.44 59482.23 85833.89 43995.22 75401.1 63533.1 472801.24 71553.42 79146.88 48158.47 87704.84 75178.65 231845.49 65514.9 68786.07 87452.34 60939.9 76928.93 142315.54 67281.61 133774.06 78551.55 241648.72 66364.49 68260.63 33496.65 46151.86 40358.72 21728.19 47268.25 28617.48 48620.85 65995.61 65398.01 59935.86 41585.77 59723.78 99110.98 95286.33 55581.17 278990.59 63544.07 62456.02 50524.01 52300.9 78112.44 39224.89 32535.6 55015.46 70181.96 34039.11 40440.23 42576.95 50119.78 50127.38 46061.17 33790.32 41623.18 39260.51 37550.19 37310.56 37633.67 39471.84 39202.64 39227.76 (10S)-Juvenile hormone III diol phosphate 2155.27 7939.21 8311.83 11431.24 4470.11 11774.2 4272.86 1735.32 1569.03 4850.36 868.72 3482.51 2243.46 4083.8 5458.68 3098.26 9174.68 11778.58 7851.5 4286.64 4945.57 5741.9 8177.16 790.56 830.97 1872.15 3258.06 3778.63 4358.87 4579.67 5593.99 3247.34 3499.94 3866.9 4241.22 1574.02 2992.79 2082.57 5604.84 4555.69 10941.34 1617.51 10289.3 1611.85 7943.03 3772.59 5732.82 4207.62 1066.52 11376.81 3920.7 7823.31 689.73 7387.9 1298.89 10718.48 7185.39 8212.39 5055.17 13161.87 2329 8209.91 6931.52 12581.02 13217.76 468.81 8027.62 1890.85 1883.15 3123.57 8618.57 11544.78 4198.8 14043.05 12027.18 7486.87 7371.47 7685.67 7634.5 8021.03 7589.46 7716.57 7696.47 7074.74 methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate 8965.31 10301.44 8453.87 4916.38 7396.57 5830.36 3978.45 7992.59 5462.17 9619.51 10544.6 8600.88 12297.29 4979.25 13012.01 12355.52 15600.45 4982.53 12496.37 5486.33 8982.77 5790.71 6931.53 9174.87 5218.88 7426.43 8247.12 9921.02 14398.05 1518.7 8135.67 16184.59 13809.41 7064.79 4066.2 7909.1 9214.61 2231.53 11203.9 5555.46 3341.52 1451.43 10025.21 12283.35 5838.96 8080.01 8767.65 8338.23 4244.33 7763.84 7874.22 11178.1 6623.58 12168.34 5671.22 8971.63 9589.45 9725.79 12581.36 16032.29 9472.62 7959.09 10505.44 13492.92 9775.78 5978.68 15779.61 14298.97 8229.75 9538.06 11655.17 12718.45 11870.77 11065.63 9827.38 7778.21 7228.86 7365.75 6078.58 7106.06 7857.44 7739.12 7768.46 8022.72 12-trans-Hydroxy juvenile hormone III 6822.97 1004.74 990.94 4034.86 10193.61 2021.19 1570.56 5560.89 2893.28 7870.66 1631.85 4972.38 3181.47 1030.11 6242.11 8242.38 2698.46 5153.55 1243.72 856.62 3308.12 2110.1 704.88 1529.53 4248.73 4380.98 2153.41 1953.71 1813.71 1127.47 1623.14 4741.13 1567.58 1285.24 2233.54 3432.19 5904.97 1474.03 1013.42 3487.12 9614.93 8233.36 1220.52 1751.16 2718.02 2679.94 2584.99 1587.64 623.02 4477.03 6322.95 2832.4 701.82 1636.45 7134.12 3919.62 726.36 1517.84 4966.88 3428.25 1440.69 1351.37 4578.44 1138.87 863.85 4908.78 1872.76 1502.07 7195.64 4853.11 1945.89 3979.26 596.31 1807.91 1368.05 5253.83 4787.42 5290.92 5132.16 4977.28 5634.2 5282.31 5014.91 4810.38 N(2)-phenylacetyl-L-glutaminate 16171.04 13006.97 3313 12110.43 18069.9 20710.69 11561.36 19616.36 13207.88 5748.81 10712.15 19249.22 28235.01 23585.29 22664.7 17613.52 13199.78 34106.1 23680.11 34746.76 3123.26 5490.25 7936.27 863.22 2384.15 2399.2 1465.39 3671.51 18263.26 5201.72 15738.37 26435.53 6022.87 3633.63 5029.06 13374.48 2397.94 2500.89 2438.81 2169.9 27044.47 29276.72 10412.38 12400.55 31685.4 21744.71 33114.89 14999.58 13591.12 46133.75 20749.16 20506.25 11361.46 13449.99 16519.75 15212.88 2570.78 5969.59 5135.27 3956.43 4768.6 8677.38 15257.94 7475.91 15132.8 25971.79 29108.11 11177.24 12091.19 7765.25 12404.91 10802.06 19689.3 16837.66 15822.97 20240.01 20268.58 20424.23 20416.54 20499.75 20204.95 20224.42 20199.02 20201.41 Mikamycin B 494.46 2314.77 2454.82 1641.82 2549.17 3051.25 7361.84 2419.24 465.89 8710.04 4176.22 2138.41 2418.3 4509.16 14722.64 11621.41 10724.44 4200.65 4055.23 6003.32 4482.55 2607.06 1126.02 801.93 1292 3152.53 1582.51 2031.74 2992.02 1690.7 3303.98 2486.38 16349.4 2929.58 1007.74 1535.84 2549.43 1487.22 795.13 737.2 6100.72 3397.27 1327.31 2344.28 4831.76 6896.25 7014.76 921.09 2067.78 5388.63 1098.97 8499.45 3637.46 3698.19 3663.08 7370.95 8538.01 973.44 11765.45 632.76 3511.68 2391.04 4281.71 2154.24 1410.6 3501.2 7237.2 4115.82 5408.78 2671.34 5289.51 6194.51 1966.7 4508.74 1870.84 8354.54 8432.24 10959.92 7070.09 8514.22 8528.03 9079.37 9159.95 9161.31 7-O-Acetylaustroinulin 1119.87 7589.8 12186.29 6250.36 47798.7 7038.67 7641.91 37327.3 5960.63 906.96 3234.24 58558.03 42401.91 8191.49 16940.21 19733.37 3081.92 41045.19 84990.42 8275.85 16464.26 10800.91 25303.1 1020.61 5505.49 1759.11 7766.47 10354.26 59395.4 478.54 375.08 8220.07 50244.23 16502.85 4062.25 46093.03 11070.02 811.19 4702.78 831.68 1908.74 2589.01 13979.24 8469.62 18420.55 6395.49 16925.11 66922.91 20389.09 12535.07 38220.35 104307.92 285108.49 27009.17 74413.16 8367.08 25599.53 8807.19 69362.78 3065.86 77236.42 44161.84 34044.43 118583.57 46279.65 22620.96 8601.35 2827.37 776.79 78716.5 3627.5 1520.9 17100.12 5485.71 9203.16 22763.77 22903.03 22764.4 22903.13 22767.42 22907.18 22889.61 22895.41 22763.84 2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid 1425.67 639.32 2600.41 1873.96 1236.7 905.91 1112.97 1833.6 1399.59 2514 2181.29 3551.5 1108.83 1595.85 1454.27 982.96 1506.91 1041 1026.97 613.2 697.38 897.42 553.91 2622.24 2124.54 822.49 1227.91 859.37 759.09 429.84 1207.08 887.23 1090.04 1267.31 1329.86 1732.64 1089.19 444.3 1641.61 1913.02 2706.02 5428.75 3293.96 452.54 6617.24 1903.52 1189.85 1854.47 1619.95 1539.53 1497.54 1533.17 1537.46 1702.59 2052.66 1655.75 2510.17 1083.2 1300.91 5147.33 2453.83 931.44 1859.29 2507.06 834.67 3079.71 881.44 1942.84 1558.74 1074.61 1361.9 1857.33 1345.37 2258.79 2317.57 1677.74 1707.97 1775.31 1527.99 1590.72 1728.68 1909.6 1771.15 1784.59 Carotamine 1427040.22 857167.22 260026.87 419100.8 1414361.35 1137468.96 801043.73 1808085.58 1784731.71 1320880.51 901155.08 1427333.77 815947.84 887772.11 1544844.97 1211418.85 819626.45 1605486.33 1469549.1 2100210.21 1349529.63 647474.74 427629.47 461298.67 1323900.66 1014988.8 563264.76 987117.18 1561970.5 1169240.48 1375029.55 1080689.44 970699.47 414002.15 364519.04 1378515 1335854.87 314753.23 775102.14 646289.49 1910949.59 1863914.52 582122.74 752697.5 1710975.69 976285.68 2021695.2 1074493.93 1192982.91 1601635.42 1242472.15 804283.44 552371.1 740583.66 1344060.33 940069.07 232452.07 298218.21 1514175.79 686396.62 531267.86 493195.56 941714.3 751055.74 1108137.86 1536389.69 1376181.02 1212324.67 1283702.54 1571510.75 1739329.79 1205102.61 1363509.41 946238.53 924767.59 1415754.78 1412156.88 1414128.16 1415876.87 1415852.8 1425295.59 1415873.34 1400852.94 1409471.08 Hexahydrocurcumin 3599.03 5343.3 1988.88 7171.65 5756.86 916.17 1146.5 10273.67 6858.28 6792.39 7607.59 9197.57 5622.16 5815.79 2524.64 10718.99 5422.83 12720.13 13956.3 4523.08 4740.53 1372.38 3069.69 5100.32 1633.87 4594.52 3989.61 4837.07 12078.69 4542.22 1744.13 3097.36 5084.44 4394.83 4524.6 8284.98 4802.92 1532.9 6102.43 3592.8 13322.51 8920.26 7130.62 6512.67 9985.06 5499.19 7895.44 8451.31 5334.07 9742.68 7036.91 6900.53 11432.34 7454.85 6240.06 7383.47 2612.35 2114.4 4137.15 6195.66 5336.03 6088.79 5971.02 7726.63 7966.39 10949.28 14536.28 8296.69 1039.13 4090.86 6210.61 10185.15 10770.28 10328.61 5849.46 4332.99 3737.81 3920.63 3137.73 3529.38 3542.15 3921.73 3667.39 3734.05 Fahfa(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14-O-22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1043.58 298.67 1027.39 24060.4 31858.18 58412.41 48363.1 220.66 631.98 828.82 754.48 1521.4 11651.76 101.49 170.11 27546.67 146.52 326.6 1398.97 118.66 661.07 566.61 503.52 314.72 486.27 497.78 312.55 561.02 645.52 487.43 335.78 1254.57 420.33 103.67 130.24 531.04 656 448.04 865.33 389.45 14225.28 2207.48 163.04 225.39 196.09 1822.09 782.33 677.46 434.53 1529.71 110.06 985.98 110.08 955.23 1413.94 1006.35 2865.85 817.33 258.1 9093.31 895.24 929.59 868.92 661.95 325.44 1794.16 961.34 643.39 985.83 145.78 526.49 1045.48 180.16 2347.03 2275.67 3982.96 2086.6 4233.27 4130.5 4817.08 4254.12 3995.79 4090.85 4166.22 2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol 25160.14 37320.74 48361.94 40702.05 11736.6 10307.12 30382.16 19024.36 1805.76 36488.2 31793.35 51005.89 40848.45 47090.28 17548.8 21741.29 27357.73 12417.33 30908.96 12086.47 2642.12 41511.62 69780.17 86612.3 31377.23 12371.58 88660.88 60746.19 38557.35 1775.6 10726.52 27495.45 37360.98 55679.13 67120.65 45742.67 22209.83 17856.13 72444.41 64342.28 1500.88 20381.79 66200.67 49924.35 12264.21 27471.29 23051.81 49367.38 45649.31 10723.84 17811.2 37559.41 55639.08 47857.37 30490.64 35664.29 23773.56 39853.88 13121.59 23782.25 102046.93 89499.34 23442.3 31694.15 27551.23 26086.92 3864.46 48655.32 42028.82 15261.12 3499.75 47234.55 12340.37 41754.88 36675.77 22749.53 24117.67 24130.3 23036.38 22366.31 21548.76 23062.69 25650.92 22920.94 Histidinyl-glutamine 3199.93 3480.65 1380.18 5455.99 4604.44 1774.22 13473.35 5907.54 4233.22 3397.5 6341.75 9954.06 14348.86 7158.47 7552.55 6896.72 4519.93 5159.92 6708.75 5744.14 3267.2 1283.86 6035.25 6292.46 2967.54 4219.53 4074.21 5430.4 2685.03 3957.05 2860.03 4104.61 3114.24 6908.72 3955.25 2169.25 4127.48 2976.79 6553.22 6486.78 4794.88 2805.62 10388.15 5462.14 4853.24 13558.54 5325.53 4498.89 4295.72 5724.48 8215.18 4602.62 12610.1 18960.55 6020.28 5055.37 2720.6 4218.24 6347.94 5011.45 4242.45 9464.76 6829.05 12414.65 10503.47 5773.37 2161.6 3329.32 4402.47 6610.61 4916.27 5040.51 7294.7 13477.43 10837.92 7093.74 7099.51 7222.09 6861.2 7046.11 7215.29 7159.56 7759.14 7215.84 3,5-dihydroxy-8-(hydroxymethyl)-8-methyl-2-phenyl-4H,8H-pyrano[2,3-f]chromen-4-one 4703.94 6807.19 7674.96 4105.56 1405.9 11660.46 10137.46 3009.45 3730.01 2764.21 4797.21 2791.95 6422.13 1347.83 14401.67 8985.1 9131.81 8203.43 16359.09 1722.86 737.75 14970.01 11186.52 5234.14 6908.87 4275.91 5339.46 9112.29 16593.24 5183.51 4908.4 4130.86 20060.39 7450.33 10299.96 3958.44 4573.99 7208.69 5480.16 2837.91 5150.57 3475.78 10329.45 7618.97 11681.02 7301.75 17959.91 8465.05 12209.11 9504.23 1816.6 10520.91 7874.82 8525.7 4156.45 1549.72 5587.96 9095.89 4974.26 142936.8 12495.54 8701.47 7879.95 11271.21 7580.33 3815.57 5330.96 3007.81 10639.5 2008.23 4583.09 10491.66 9544.13 5051.23 10089.98 7862.45 8046.44 8094.08 7275.81 8058.39 5758.22 7890.87 8673.19 8093.39 [(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulate 1845.09 1800.41 1887.2 1103.81 2023.8 1629.21 955.6 4226.95 1042.17 2525.33 2646.98 4351.49 1836.85 677.08 998.51 1402.15 1460.78 1723.07 693.7 522.05 2787.11 2494.62 3705.19 3391.91 5735.05 1925.82 3891.5 4578.74 4639.55 5478.63 2472.25 2370.39 619.32 6646.87 3365.4 4621.1 3387.09 846.75 3618.63 3749.55 2702.35 561.53 2918.13 3554.7 3058.75 829.6 1695.07 2882.79 4060.59 2445.25 1443.93 1554.58 2755.22 2592.96 1672.73 2449.15 2722.43 2432.59 2314.26 484.16 1962.45 2336.36 1061.15 1695.47 1934.2 1441.17 1040.12 3548.9 4829.22 1698.57 2862 2912.08 4125.34 736.66 2783.95 2622 2390.71 2296.33 2248.54 2638.2 2641.54 2428.65 2733.46 2711.53 Mycophenolic acid acyl glucuronide 2107.74 2606.34 5552.76 10840.63 2378.75 3061.41 1067.86 2060.94 10670.06 2651.67 4238.05 1920.07 10022.9 2928.69 6204.72 38686.33 42945.7 21756.71 31879.94 5302.02 1219.21 1479.86 798.81 3080.57 2334.37 9153.18 5545.62 2575.26 11666.25 3105.54 2999.66 1209.44 2030.04 382.15 10744.3 478.53 2687.77 1352.17 1829.65 1524.35 5789.3 1178.55 5362.8 8693.71 3651.48 3123.21 22075.22 14915.2 1827.53 6920.98 1458.47 9007.33 5500.47 11805.42 1455.17 10861.34 8871.1 9704.63 3785.39 29227.34 15271.56 7966.43 4690.22 18191.98 19569.31 752.69 2549.01 9133.97 11517.19 2449.59 4457.57 10925.22 1845.04 21496.44 6939.64 10933.47 10675.99 10371.93 10343.02 9817.91 10442.79 10958.15 12231.75 10772.45 3-Demethylubiquinone-9 5858.43 455.37 735.27 694.55 1240.75 1207.97 1582.38 653.73 4833.61 1484.9 657.93 1282.78 1289.46 1101.87 6061.93 3244.04 518.73 1175.19 4315.33 1287.13 1055.33 858.25 3987.75 1317.54 1314.5 1056.95 765.34 706.82 790.17 888.25 450.88 1539.63 977.62 1746.93 352.25 342.81 2155.34 253.85 967.28 440.74 1319.99 3152.58 463.59 849.54 18392.4 459.42 5894.14 472.31 4690.44 1896.13 3915.75 2425.23 446.07 686.22 1390.6 3039.91 706.54 397.97 549.6 1219.99 1981.87 794.65 3481.48 386.86 300.31 1806.27 4522.84 2351.88 928.95 4904.44 4776.73 1011.71 1293.31 1048.15 1729.52 4104.3 3997.43 3519.56 3867.87 3597.77 4210.89 4067.31 4011.13 4422.4 19-Hydroxycinnzeylanol 19-glucoside 10856.25 6610.41 1305.93 5720.31 26548.74 18084.93 7954.63 33407.37 28698.11 27028.96 21036.51 38018.49 34134.62 18260 21020.28 26052.36 28681.99 28342.87 37550.92 49318.86 12976.4 8659.39 5968.31 6600.82 13409.06 11741.86 4852.31 10465.79 10093.8 10245 15866.54 18608.94 4763.68 4683.67 7830.81 9614.48 11286.89 658.85 13570.88 5043.67 42186.05 32546.86 20161.83 18235.33 36026.35 18170.57 28916.64 26724.63 10628.73 36661.8 9473.29 16807.59 17952.93 25494.8 13319.06 11620.77 3857.73 5602.07 20277.98 9832.17 11720.33 1669.99 13317.37 18706.09 14884.04 20209.14 24511.01 11006.23 17968.36 17884.07 17278.66 8672.07 22430.84 11300.49 20873.18 25474.46 25028.62 25483.11 25369.98 25988.32 25251.33 25343.25 25158.15 25163.71 Lucidone C 41134.32 1902.64 1505.31 657.13 1044.05 1791.5 16975.07 13233.05 21602.99 33862.49 22945.56 41052.41 70792.78 37787.32 12258.64 23256.2 7606.91 27049.63 63264.22 22787.05 16704.94 5922.14 1970.41 16952.9 4974.97 22216.97 22925.22 22159.32 38771.11 10238.14 17192.22 40098.84 5996.44 22782.08 6505.58 12827.79 19291.89 526.62 38093.18 5962.88 9324.82 33337.85 1902.06 31624.83 32663.96 58287.79 12792.68 17189.54 13838.11 37901.52 38704.61 6945.98 38885.62 43364.34 16232.62 2900.29 1342.78 1621.89 13280.16 3792.06 33270 2247.51 7340.73 2554.99 2786.91 58067.64 17585.31 40611.06 20344.27 10717.26 5140.43 5517.26 9951.9 4489.58 12890.17 18524.76 20013.25 17819.22 16458.23 17871.61 18501.79 18505.69 17775.76 15729.29 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate 35281.71 26527.41 35862.98 17979.63 18554.73 20401.61 26795.92 16618.24 41186.42 46805.66 32322.7 19928.57 17225.76 33033.62 32016.81 21917.22 42361.54 18766.23 20572.49 29705.31 29433.55 33816.14 30412.58 30756.04 30203.45 42135.53 65914.58 54531.98 30734.3 29671.89 36487.63 21998.54 27819.33 41233.62 28903.11 28740.98 39192.46 12420.4 38553.43 46229.85 28530.73 35030.83 29554.09 39771.11 50103.76 29260.11 26200.75 28887.71 20694.69 24748.17 25724.02 23969.17 39170.92 28639.64 19922.77 27154.05 43846.18 47907.62 24748.65 26532.5 24927.21 26522.56 25342.53 8704.13 37886.96 23577.78 24809.21 31421.54 40921.6 21041.25 51134.87 36432.01 26297.49 23812.45 23892.88 20833.21 19998.27 20548.4 20499.44 19873.85 20598.62 16388.98 20085.19 19869.05 N-docosahexaenoyl phenylalanine 5869.64 6726.99 1603.74 7582.24 6777.69 10874.85 2576.09 2705.02 8461.67 14800.16 6064.33 10566.64 41767.65 16079.69 14341.37 3598.47 13790.95 9249.15 78496.45 12341.24 4200.88 1543.23 5429.99 1875.17 4706.97 3962.69 4101.35 5194.14 5115.56 3187.28 4405.74 7758.27 763.27 948.16 2184.97 3525.88 513.22 917.68 1253.86 6745.37 3218.84 7994.19 4457.03 3364.98 6431.66 21818.74 3696.17 1258.74 5439.85 7064.86 4851.56 8550.75 1598.66 3890.96 1873.88 2140.79 2624.11 2924.36 1346.15 9432.51 2535.48 2829.14 3574.14 2752.18 2859 4195.58 40016.06 2966.63 3191.35 7617.35 3727.16 9009.31 8198.42 3574.7 5196.47 6678.08 5459.63 4194.24 5492.57 5448.78 5667.8 6206.5 5739.37 5435.41 1,7-Diphospho-1-epi-valienol 28477.48 14553.63 23054.76 20882.44 38711.01 62810.13 31639.61 22217.16 16214.42 35745.12 46814.4 49340.81 44246.03 45229.14 22146.94 33751.44 26223.38 29548.85 68744.64 19101.49 24060.55 33033.98 33739.08 28396.2 33031.74 18017.61 24305.5 30894.97 24306.82 23530.27 19025.47 36201.15 15928.63 28265.47 37548.75 26461.38 20272.59 15023.46 43759.44 28166.85 67168.69 55329.9 44294.49 46274.87 41043.79 31420.66 22275.71 45473.26 42011.79 57724.34 36294.28 25418.2 45440.11 51513.36 34562.6 27158.94 19724.59 30172.7 23115.06 64328.36 36360.5 50582.85 26534.71 21945.41 23241.02 41144.27 13916.15 34266.94 28938.27 15178.85 14889.3 49751.35 47852.57 41906.08 30115.67 40297.62 41030.76 40817.38 40821.28 40470.1 40572.92 40479.24 40811.58 40468.72 6-Hydroxyenterodiol 244.47 822.6 2286.86 4677 2965.89 9086.97 624.37 698.31 2170.28 546.41 786.8 856.62 2438.98 1552.66 1194.13 2690.48 5020.92 1255.51 650.49 1241.13 4027.37 2548.04 312.78 441.91 1050.75 1789.77 876.31 1069.75 1017.6 1448.77 578.86 1953.53 729.51 891.14 1311.72 788.04 536.14 2139.15 1927.3 680.07 1480.43 1186.39 1851.65 745.89 1356.64 2824.3 1333.36 4506.64 4122.4 1323.41 224.78 1297.81 2032.59 1225.5 1465.25 1727.04 5099.79 2635.82 1873.73 3449.47 691.43 1453.62 488.64 1292.19 1079.58 630.5 1095.48 1673.51 2198.85 2020.58 1401.84 5537.02 2312.12 2862.77 4737.17 2431.08 2687.93 2838.15 2417.56 1615.19 2419.99 2874.36 2403.25 2741.44 (S)-9-Hydroxy-10-undecenoic acid 1958.5 5225.28 1626.48 5304.34 9965.56 10090.09 7366.86 2171.07 3644.03 7497.73 1125.82 3509.7 5476.81 1834.85 6336.78 13081.4 7116.93 4012.99 10144.76 671.97 1277.27 1874.55 2573.16 1582.22 1237.88 1190.03 384.46 2626.97 3765.58 2604.5 1563.85 3414.95 3159.36 2466.6 1865.45 894.28 1630.47 2111.58 3776.51 3826.86 6802.02 5828.36 2778.59 5294.71 30074.05 7354.08 1153.71 4797.68 2869.88 10832.84 2091.84 4415.73 3717.06 2447.44 2929.01 5095.04 1623.06 2652.93 2166.31 4067.9 3154.72 3808.06 2573.78 3823.49 4042.73 3193.25 12225.47 1955.92 2165.16 1149.76 2040.48 4665.41 17090.84 3958.79 4169.58 5453.52 3717.58 5189.75 5207.28 4968.5 4997.52 5281.8 5299.01 5353.63 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate 4286.22 11434.25 18290.75 12862.39 12714.3 5472.57 34353.44 9576.23 7340.24 19800.16 20158.35 21891.34 8125.96 14330.21 12808.3 20116.1 1754.38 16396.43 1158.56 10816.87 61611.24 12833.96 64837.43 32590.53 10606.29 16149.47 3606.78 48752.24 3973.59 20249.75 43746.56 31759.49 742.69 17792.24 79508.76 2809.09 26874.39 8457.3 7738.08 39309.17 15139.12 656.17 21214.64 1790.44 8725.08 60180.31 30792.37 1077.67 7339.28 17547.32 18885.71 15833.65 84240.51 56430.2 10847.63 18920.77 1913.96 6200.43 22272.46 98529.24 14903.82 21192.9 49904.63 12336.28 1811.73 22776.45 93615.89 9320.25 35348.35 21092.58 18363.45 18035.24 18121.26 10505.76 17318.82 17873.68 17908.39 17992.75 17847.45 17738.31 17858.93 18176.77 18177.24 18066.25 [(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] 22-methyltetracosanoate 1857.43 1062.69 2596.53 2946.44 2741.13 405.3 2585.1 3208.84 1386.99 1734.19 2166.54 3042.21 6011.63 3220.65 3972.15 528.74 535.67 1883.58 5370.91 6302.64 2958.52 423.93 2034.23 1547.72 1322.28 1027.45 1257.68 1086.4 1731.73 1337.14 1322.61 2288.08 2587.38 701.93 1965.76 1735.55 1686.25 1431.3 2458.02 1472.1 1475.21 2546.56 2358.17 1348.6 1774.38 5842.64 2343 4887.12 2590.07 2956.13 2810.66 2381.17 9138.9 4744.38 3277.16 3328.06 2241.61 2400.86 2222.83 910.07 2139.24 2681.4 4737.36 4971.93 4232.26 2981.21 2081.32 1313.97 5072.98 3027.57 2940.88 6616.16 6675.65 2342.72 9113.86 5095.36 5779.49 6117.25 5661.89 4122.7 5869.36 5291.22 5777.48 5306.04 PE-NMe(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 21535.55 6948.9 2767.41 5614.33 3676.95 4747.34 3743.25 18281.93 12128.29 6896.65 12614.77 7534.83 10559.73 7659.54 34166.48 5432.59 6763.29 10639.78 54555.81 11655.63 3427.68 5568.71 2419.5 5073.81 6004.08 4186.94 5000.55 5071.07 20734.13 977.67 3256.34 3350.08 657.93 5027.4 3590.09 4999.61 13227.12 2818.72 6067.8 5017.51 6616.51 6816.59 6243.01 11431.66 28202.74 9397.37 13745.42 4341.39 2861.52 8259.73 16483.2 5488.02 4357.46 6146.61 12260.38 13154.32 3463.89 7728.76 15583.46 10857.72 9185.8 7174.33 22193.53 7226.72 10446.11 31955.36 9497.34 11252.23 9547.84 25602.79 24494.98 8023.45 12390.58 12466.15 8453.16 13627.23 15492.18 14178.91 14561.16 14679.23 14955.84 13914.52 14317.26 12568.13 PE-NMe(15:0/18:3(6Z,9Z,12Z)) 6246.33 3871.63 853.82 2291.85 5601.25 4583.15 2206.09 5532.99 6433.1 1627.81 2841.8 7545.07 2677.73 1800.76 5238.9 2556.13 788.28 2954.07 2476.21 8339.17 4635.02 1307.03 1831.43 2601.91 2039.38 2099.59 2386.31 3282.41 3837.17 1663.4 2098.44 3083.27 1960.11 944.45 1779.38 2384.43 4383.41 691.01 1896.2 2432.75 4302.47 5804.35 2694.12 2565.19 6458.41 3254.7 4976.57 2753.35 2363.83 3035.4 5106.23 7399.12 3334.22 2628.85 8434.27 4622.19 1009.3 1008.43 9441.66 1732.87 3036.88 3031.64 5393.1 2471.08 2491.8 4361.94 5965.83 3218.32 2139.57 3377.75 5379.1 2181.59 3271.87 1909.02 2506.9 3555.53 4184.65 3831.81 3558.23 3838.72 3811.73 3176.8 3858.33 4044.28 PA(18:3(9Z,12Z,15Z)/16:0) 19413.11 14327.35 10477.18 17454.47 7939.01 3877.36 10214.48 6666.39 16536.43 22920.51 21258.18 11295.6 20126.8 7580.01 32709.78 15770.67 30034.38 16755.53 19249.09 25876.02 11802.41 3274.12 11373.25 11736.34 9327.34 4944.32 9829.35 6321.96 9753.33 7690.25 4172.98 5663.73 10429.75 11692.23 8306.42 7927.83 12488.3 545.49 11793.02 6255.31 10434.79 12647.98 13909.56 21333.16 21130.76 15886.59 21179.88 16846.96 9065.19 16603.32 7276.66 12114 9929.13 13244.86 11593.7 17056.68 10843.3 15371.39 17151.45 11126.04 24706.48 20034.04 24021.1 31065.64 10524.34 13841.8 4953.01 17986.63 13640.42 23183.27 26475.12 33119.35 14978.21 13821.36 43653.44 19925.06 19382.76 21818.99 19667.08 19811.6 19206.06 19693.6 20343.04 19382.77 Cinncassiol D2 glucoside 801.38 872.51 2176.51 3813.14 454.82 2411.55 8429.8 318.61 980.66 480.18 7485.15 7059.97 2685.88 5924.76 3717.47 13294.58 6801.49 1290.43 865.29 891.41 919.58 1508.42 1514.57 3603.49 1465.71 1114.32 1307.55 1864 477.71 938.33 1293.85 1921.47 935.6 2175.21 566.1 786.71 1525.43 957.34 5016.27 759.19 1948.27 1942.43 6393.84 6311.14 3046.32 5906.67 424.17 911.16 758.04 884.51 737.82 332.43 1111.38 1354.01 5405.46 1550.88 3264.76 2363.4 772.47 817.16 7362.53 1170.03 2658.48 3548.8 4226.96 5105.09 3839.43 6183.47 7952.85 1775.28 3042.08 1336.43 3752.19 2461.38 10280.63 3228.19 2894.81 3218.97 3128.14 3255.96 3217.41 3171.91 2348.8 3195.41 [(10-{[2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-2-methyl-7-(2-methylbut-3-en-2-yl)-5-[(2-methylbut-3-en-2-yl)oxy]-8-oxo-2H,8H-pyrano[3,2-g]chromen-2-yl)methoxy]sulfonic acid 5563.99 7820.11 15876.03 5493.2 3470.8 2438.96 6011.94 5602.68 3075.03 23755.04 35278.8 3450.05 1675.45 11014.88 26418.53 18360.72 65601.34 3331.56 7064.32 12925.58 11300.53 17660.01 1818 2611.77 4850.45 7878.66 6960.52 6540.45 5439.71 1404.71 3535.57 3093.59 33162.79 7857.27 9860.83 7295.19 4198.69 7834.93 8206.65 2735.36 5992.78 11035.5 4206.75 27252.56 4839.78 9970.43 6432.59 6362.05 7040.85 11010.6 9060.93 13372.62 12588.57 4709.82 4234.05 8997.36 25705.74 2557.85 19274.09 5826.95 8173.65 3255.22 14569.08 2760.56 12066.17 10901.28 9567.1 13009.02 31740.98 4876.63 3167.64 27122.19 6525.21 12279.94 3064.65 9482.04 10005.77 5296.95 9541.83 9985.99 10209.79 9210.73 11062.81 9760.61 2'-Deamino-2'-hydroxyparomamine 2396.39 3242.09 875.89 5272.38 3641.17 6665.42 5688.11 3094.9 3032.67 4818.87 1935.89 3844.99 6072.96 10044.29 5568.41 1345.15 5608.64 5725.56 7647.81 4511.24 834.98 695.3 799.74 378.15 461.99 577.55 480.33 430.72 1244.36 544.87 370.35 2585.19 787.79 659.76 1066.28 572.59 793.76 903.7 806.72 407.71 585.23 2243.28 461.34 2102.32 8823.54 3547.01 3817.74 2231.04 1086.16 6771.94 1524.29 2932.63 1431.96 1044.48 2422.51 1436.79 940.13 981.6 1950.25 1589.27 572.75 1019.6 2467.28 1520.76 1755.37 2749.76 5455.29 1716.82 2986.21 1294.36 2766.34 4191.85 2611.91 3248.46 2989.26 2842.66 3399.49 3295.89 3427 3286.03 3303.11 3400.24 3296.06 3402.23 Endoxifen sulfate 11007.86 11065.87 4295.05 12307.22 7353.51 8710.23 8508.79 9342.05 9211.17 6384.47 9523.21 7486.83 3301.23 8823.13 20091.18 8129.29 18742.25 13956.73 13225.51 13588.85 6513.68 3840.45 2822.12 5081.05 5065.35 6778.96 3885.96 4059.66 10103.74 9540.61 7229.05 7553.26 11596.79 3256.11 4873.21 4385.88 8943.45 3661.25 5333.15 6476.53 11367.18 5125.95 6147.22 8422.33 9920.26 6180.86 11257.06 10829.94 3889.83 7583.96 6754 8781.51 5035.52 6736.16 8861.58 10780.37 9183.66 9694.81 13724.79 11681.98 8872.84 6528.48 11060.72 11034 14463.48 7091.95 10345.5 6238.31 8304.55 10228.82 12874.54 14786.06 10677.83 10462.23 9925.33 9253.66 9346.54 9346.15 9348.1 9176.03 9253.26 9325.8 9146.27 9255.51 Egonol gentiobioside 1588.5 929.78 1233.4 321.07 1464.25 18759.35 1156.69 1012.37 1778.42 5993.45 270.77 700.54 772.72 850.09 751.01 744.76 887.79 3519.49 336.18 1210.66 657.99 126.06 181.62 165.61 787.67 7078.26 135.3 355.27 1163.02 137.48 314.93 732.03 3893.88 6851.03 235.94 610.43 295.39 3365.43 1009.77 219.83 1782.52 1233.27 709.67 133.06 1640.32 777.19 825.39 595.66 437.24 251.45 1098.41 339.45 87.67 825.23 1249.88 795.28 153.4 188.37 355.92 26077.57 277.11 361.04 1527.76 364.01 536.69 1191.04 1932.54 941.85 765.93 1078.63 729.63 6809.11 417.31 2333.46 376.03 4732.73 4707.37 4709.83 4847.96 4708.41 4722.86 4862.49 4193.06 4904.95 (2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone 11354.06 28080.96 845.47 415.16 3000.58 8895.74 2803.86 6075.89 68898.07 13679.66 1535.91 650.1 673.21 1743.12 24403.76 5113.92 3623.86 4078.68 2911.13 19401.92 5792.31 7444.73 1648.84 480.61 4550.7 21855.56 2046.02 2068.14 6042.6 2807.59 1760.61 3417.56 6446.33 2095.34 1487.92 1238.49 10284.02 9868.22 2433.06 1839.02 10165.64 4697.22 1511.06 2550.48 12774.79 3458.41 4111.62 2343.8 1704.28 11776.08 3235.09 5822.83 463.85 1555.04 6124.55 15883.23 860.66 2891.05 10199.01 10610.41 692.51 779.32 16866.38 9409.05 5514.42 6432 49587.41 6703.7 5814.92 11137.99 29841.6 20431.5 7605.34 7331.8 7330.43 9204.81 11616.78 9003.48 4053.46 8880.49 9748.58 9795.13 9614.64 9363.32 DL-Pantothenic acid 690.07 1252.31 1585.35 2311.04 3222.14 3088.24 1508.73 1310.69 2359.05 1064.24 988.54 1330.77 1146.49 702.81 2831.18 7616.84 2725.96 985.94 2586.77 2569.5 620.19 3562.76 1230 930.24 1103.52 1596.74 599.75 373.96 2727.01 794.82 1354.42 2201.78 607.18 811.36 779.54 402.4 358.44 743.95 749.79 784.65 1651.12 1828.04 1801.09 1569.76 4368.29 3170.45 1674.11 1240.75 1975.45 5259.19 1020.49 1831.62 2042.8 2551.17 958.58 1220.9 1544.44 447.33 1567.15 3968.97 1705.64 1634.42 1253.66 2040.86 2186.26 2803.34 3229.19 899.85 1069.01 933.77 1298.51 1965.39 2070.16 3452.04 1523.77 65116.07 40526.37 56051.63 56422.05 45388.93 66991.74 55387.49 44719.17 66688.7 18250.11 53218.39 33379.28 55347.49 38842.47 50829.25 34929.85 51285.81 58779.08 41939.19 61942.85 48428.01 52798.58 50249.05 61260.09 45919.41 2300.06 2201.1 1658.45 2374.39 2389.15 2302.08 2198.7 2074.58 2309.46 PE-NMe(18:3(6Z,9Z,12Z)/24:1(15Z)) 11612.37 3922.44 6768.46 13495.95 3582.69 12391.76 1961.84 1252.91 5101.72 2417.75 4531.73 2406.24 2192.12 8429.63 11772.09 1340.32 3644.93 2681.38 2674.51 3001.72 3059.11 671.43 915.34 1257.8 2407 1364.02 1719.67 3345.93 3188.41 3031.12 1449.99 1353.89 3130.45 6303.48 8890.16 5967.55 4131.59 670.26 3749.39 1897.62 2421.43 1692.55 2576.31 5510.85 2601.38 2532.73 3178.65 1412.74 4255.45 3147.63 2278.97 1468.02 3412.1 2510.35 3655.02 4414.54 7354.51 5529.15 3437.72 1404.9 3762.38 2612.44 6609.71 2664.53 3143.84 4506.26 3419.55 1020.66 2321.87 2989.46 3222.08 3441.6 4065.95 8045.83 4313.75 2143.66 1649.92 2591.45 2559.44 2299.28 3208.77 2551.78 2963.07 1928.85 [(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate 18386.45 7349.92 3772.2 9353.64 12871.39 2395.58 14678.06 18692.29 24496.22 18687.84 18299.51 3374.59 25447.52 15356.79 10203.25 7602.15 5058.87 8875.4 27925.94 9276.98 5056.89 4655.82 8509.72 5628.69 4345.87 4996.76 4603.37 3440.72 1657.86 511.35 951.01 5954.55 5349.31 7145.54 1101.18 4884.38 5375.42 3613.35 10100.02 3291.95 11635.1 13382.45 6178.11 16967.97 23259.54 16788.26 10809.84 2986.29 13402.81 14144.9 13656.17 5786.53 5343.78 5673.68 12882.39 10771.37 1497.19 4246.65 8638.15 2924.36 14358.58 14798.07 16165.94 6243.4 4082.04 16910.33 12708.8 17754.31 12604.21 12300.22 20841.1 29576.31 10397.48 12468.06 21632.53 17508.01 17855.83 17974.75 17500.82 18088.09 17451 19589.01 16570.02 18073.07 (Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate 878.49 703.96 4573.09 9357.73 20783.13 7011.5 12668.39 260.47 725.4 849.2 498.55 1681.26 7426.17 597.5 3524.48 1478.24 168.04 563.77 855.02 1484.49 1618.23 12574.92 331.44 125 146.6 642.31 571.2 349 560.39 583.31 405.79 867.09 496.72 487.27 184.71 1121.67 131.53 293.71 405.21 359.66 14745.91 2121.01 280.55 517.83 1012.65 4356.83 152.79 1658.03 537.2 769.58 1286.74 852.23 671.85 421.11 4542.29 144.18 1979.54 2708.37 1040 5113.92 1056.71 190.71 197.99 6048.82 1726.03 2832.82 1032.82 151.2 738.31 1853.44 1105.16 821.08 638.06 1423.16 876.68 4048.29 3854.62 3680.47 3727.45 3868.55 3882.6 3583.68 3868.02 3336.57 LPA(18:3(6Z,9Z,12Z)/0:0) 16961.71 34196.12 7416.95 1134.24 88864.48 86161.87 38909.4 5651.57 16479.09 657.86 1083.41 13744.73 1853.85 1685.21 45768.39 2549.12 664.72 40992.82 2920.05 8963.04 58038.49 27572.15 1130.54 5955.9 6352.03 5334.66 5265.64 5059.91 6291.83 2229.7 3658.09 6190.13 21676.43 8188.52 461.37 3252.18 9542.68 3483.24 7948.88 560.56 67418.06 13641.74 10559.62 893.48 38342.85 5429.12 2998.15 1390.57 880.41 2402.77 10692.33 8316.57 785.4 641.88 33021.18 56442.69 608.53 547.89 14653.65 39722.35 694.48 8633.12 45856.93 396.25 961.07 55477.1 8856.27 1692.94 12204.53 44973.28 37007.88 482.58 11730.63 11736.76 12717.67 14109.78 13551.68 9602.46 14110.64 14001.72 13608.27 13484.83 13430.76 14135.26 Stylisterol A 800.44 1532.25 992.17 393.36 4463.81 1571.61 651.55 742.75 701.97 613.48 1785.58 1396.72 37995.1 1571.7 1127.54 352.91 1391.82 1023.98 814.93 1743.68 954.72 1049.92 927.49 1803.75 1324.91 1225.29 1690.84 1403.14 500.68 2483.64 1394.56 2104.79 1173.04 1595.92 1613.31 823.13 2068.98 2290.52 2114.23 1823.68 2601.71 661.51 1632.91 828.63 891.05 14626.85 654.78 623.62 1591.71 3862.6 1094.63 3036.34 438.34 2443.91 1166.67 1453.35 1561.84 1434.34 832.54 1538.68 1235.53 1758.31 1262.06 1591.89 1437.21 1055.05 1563.23 424.45 1561.69 686.6 416.24 1299.42 1563.19 1006.28 1843.39 2721.53 2682.32 2641.3 2711.77 2682.97 2719.26 2719.04 2699.74 2684.63 PA(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) 16956.89 23379.32 8950.79 22305.34 21532.57 1564.39 10952.66 33318.52 33779.07 20892 27770.65 28656.97 49450.64 24334.43 75046.61 31309.53 26988.21 59481.87 75196.69 101240.12 25873.6 4184.43 9048.16 14274.7 15385.09 3083.67 7370.66 3874.18 20532.05 14545.01 22077.24 48328.52 475.71 4017.83 5913.18 18346.96 13367.76 414.22 3530.88 5103.47 57834.85 41752.97 19929.9 10289.92 56161.09 19288.98 57223.2 26287.34 9917.96 59393.98 9146.61 22325.38 11028.46 25103.19 40451.55 41866.92 12380.82 15750.86 26253.2 4024.41 22841.75 2271.85 24159.52 18471.79 25660.91 50807.03 54122.26 29647.24 33906.3 28961.25 11684.67 23833.1 9134.64 32023.91 37681.75 36900.27 36524.06 37172.94 36415.46 40829.07 36679.54 36187.02 36236.55 36194.72 N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide 602.41 697.45 667.59 632.41 916.33 1159.74 3756.54 1337.68 582.77 626.89 1547.29 1223.94 1733.17 1172.48 1634.58 668.23 460.31 1139.26 651.38 586.38 512.25 663.62 1000.74 1333.59 655.34 367.77 554.77 924.92 708.99 599.6 714.23 1097.18 635.12 1127.61 807.57 367.5 753.19 813.02 921.81 1146.16 498.92 621.1 2158.13 635.34 1646.19 3091.84 1302.89 569.28 1180.3 515.67 1679.51 1016.73 1937.2 4016.07 723.47 860.37 812.92 752.88 504.66 714.1 571.99 1764.29 2015.11 2160.51 2387 1175.88 1318.67 521.47 463.99 1202.61 1349.7 946.09 1567.53 2631.17 1031.6 1251.78 1324.69 1213.01 1225.87 1241.13 1214.09 1320.22 1427.63 1309.39 PE(15:0/20:3(8Z,11Z,14Z)) 8858.38 19467.33 8910.46 13334.26 5966.4 7036.37 11320.64 21016.91 20809.16 16598.82 28463.59 23335.7 9943 16957.98 15870.02 21779.14 9711.45 20816.36 20401.05 29889.61 13799.99 4360.15 6285.58 8159 11770.31 11275 5627.47 7834.78 2219.35 21994.44 8925.95 14453.02 12042.8 4371.36 5581.83 7477.29 13814.09 2737.71 15274.24 8387.27 19938.22 11264.19 19320.03 21632.5 21549.37 11423.55 23780.14 25797.52 8901.07 21643.72 5712.54 20638.18 14780.87 10605.65 13764.42 20342.47 9925.59 12657.63 20934.26 10493.41 21948.85 13237.45 17258.05 4420.93 32893.68 16300.78 24683.23 17054.64 19119.25 20835.59 19445.36 18689.36 21553.01 25372.77 27872.29 20061 20174.57 19864.03 19863.94 20168.47 20117.05 20703.76 20026 18919.75 PE-NMe(14:1(9Z)/18:1(11Z)) 23030.14 21723.45 8777.69 14336.53 4801.72 17346.74 6288.77 6248.64 7508.79 7466.54 16032.78 5631.49 17138.04 7476.58 32058.49 16176.75 13460.26 19382.28 8836.93 15370.26 4083.96 2833.84 1971.23 7890.48 5645 6663.64 6473.51 3694.79 5478.74 8632.37 14869.95 8323.54 11897.47 5851.83 11319.24 4703.52 14773.9 2961.96 9874.19 10050.09 9181.08 3886.65 10673.61 18043.87 7660.42 12469.07 7926.98 4459.07 2134.67 18711.8 4303.38 16238.07 7321.41 14887.13 11658.84 3209.96 17868.26 18981.6 17113.91 17073.19 29896.75 11858.97 23969.58 14177.16 24179.05 5700.75 12169.48 7025.42 13407.63 15794.16 15753.29 6600.8 22513.74 16662.12 12142.44 11176.2 10972.74 11079.53 11124.95 11353.85 10929.67 8632.08 11503.89 10906.36 N6,N6,O-Tridemethylpuromycin-5'-phosphate 7140.75 3748.83 4233.07 4216.7 14619.26 3279.54 850.89 17493.67 11750.06 1382.54 9603.38 3555.37 5454.83 2136.03 14010.32 7371.81 4303.05 11617.55 863.21 23265.12 5489.15 4283.96 3472.41 3677.2 9896.11 5476.86 612.54 1557.35 15807.77 1791.47 2485.72 3016.22 5500.9 5461.26 4923.29 3384.62 13689.7 1786.56 3429.76 5033.82 724.23 1886.77 6547.14 3623.67 5022.68 5377.33 4965.7 3452.16 3868.75 2376.53 13263.32 5585.83 6439.94 14190.62 9535.91 7042.85 3315.03 6248.07 8904.82 2484.47 2612.51 959.21 9340.96 15138.79 6372.49 8935.53 1359.89 2544.19 664.85 13383.57 10924.39 829.52 12571.92 18731.29 5039.97 8327.61 8223.98 8535.11 8378.87 8366.46 8309.98 8225.18 8373.04 8231.95 Coenzyme Q8 543.53 530.09 644.09 8123.65 15454.94 21939.67 40370.21 798.04 808.38 140.89 716.81 301.81 3638.06 240.62 1076.7 922.8 854.23 941.93 1077.14 1269.35 610.09 41.76 554.63 87.9 364.12 99.35 250.73 62.63 762.36 253.25 53.63 82.93 443.58 197.05 182.12 420.44 382.3 145.82 373.66 44.45 11931.2 820.17 46.94 172.5 960.16 2500.07 573.2 893.75 324.51 70.36 102.27 634.55 213.84 232.89 3022.8 668.2 264.76 198.63 707.63 1923.81 120.91 1281.43 724.44 1115.69 39.44 1057.96 50.28 196.62 147.13 647.57 880.65 158.66 104.15 157.06 70.94 7687.18 7646.32 7583.07 7682.21 7916.61 7588.38 7586.75 7554.27 7681.97 Bisindolylmaleimide i 2526.31 2046.82 606.13 2474.55 2668.27 1157.5 5638.48 2903.03 581.49 9620.46 1641.15 2905.22 2390.4 3168.99 1248.48 7698.28 3835.54 6488.32 8362.07 2388.37 2642.62 3383.67 721.06 540.35 2596.45 7097.87 4638.99 855.48 3147.27 343.36 1784.74 9143.84 2035.83 2251.4 2234.36 2909.71 2243.25 291.04 639.95 2047.63 1595.29 3683.68 1589.79 692.27 1075.33 2952.69 730.39 3471.58 1573.99 3859.14 1434.64 426.49 614.31 1075.38 3323.49 2724.46 441.14 936.83 3469.38 7782.89 466.65 2202.91 857.94 500.13 4024.99 2025.42 648.45 6557.6 2648.01 3466.66 1255.09 5464.77 1120.03 3294.69 6446.53 5672.73 5665.48 5904.71 5994 6275.06 5676.19 3908.28 5951.19 5970.97 5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone 7780.25 5379.34 1701.59 2476.41 8386.58 438.84 3597.43 10807.21 5631.08 1435.38 1448.31 8918.72 890.83 299.98 9953.89 360.55 1242.93 4155.18 248.33 10005.36 18755.47 3995.56 660.06 1455.34 19479.77 8767.94 963.09 2237.7 5969 1544.86 2203.2 1768.02 11386.12 4109.82 790.01 11681.09 10069.47 1149.59 1356.15 910.42 249.03 11020 490.13 638.36 8399.31 897.15 13756.49 10010.32 1900.22 4516.58 6597.17 5418.55 513.16 2316.6 13872.63 9792.04 1206.73 619.44 18291.99 1021.01 4714.95 1297.07 4398.36 1137.49 2490.03 17806.45 9225.97 1171.93 765.18 4768.58 9197.54 2273.99 321.79 1007.13 480.34 6022.08 4877.54 5236.53 5567.17 5306.08 5700.3 4913.29 5334.7 5983.71 Tetrahydropteroylglutamate 10175.68 20966.02 3074.02 4818.95 25620.6 39191.77 3961.91 6370.95 13272.14 5708.07 4261.85 1907.8 2709.44 3622.87 13079.45 8748.75 7547.39 29142.15 4629.4 69221.36 3265.66 17038.57 962.11 1924.8 12968.12 13094.59 934.14 2029.13 6227.94 3188.32 16811.04 4533.84 12393.03 2406.35 323.48 4033.5 9578.68 5228.73 3567.54 1483.52 28059.26 14492.22 7909.13 9572.92 35735.64 2099.48 14464.97 1657.99 4090.18 6156.6 6908.64 10218.63 2951.17 5455.83 11911.15 15952.94 2361.38 3633.21 28220.85 17114.34 3188.86 896.21 12068.54 10193.78 8993.69 14734.67 41883.66 1215.57 3661.26 9378.34 25465.7 9798.59 3425.98 7962.17 4724.05 13159.27 12172.19 12747.32 16527.43 11862.33 13038.73 9607.23 13295.95 13219.96 Ginsenoyne L 30655.55 28465 12619.5 19933.06 14180.47 9644.5 20341.02 17148.8 14158.72 11266.58 54999.81 46658.49 39763.93 39059.92 17035.83 31560.88 22000.25 18008.69 28007.39 13850.09 25351.92 5465.35 37815.77 43858.79 22351.56 7532.06 31586.01 38277.99 22957.65 52852.64 20574.4 47729.66 8287.65 20239.97 30532.35 7451.98 24980.2 18752.08 35790.11 35312.51 18871.51 2791.53 46860.73 49497.54 16731.87 49040.86 14656.04 53063.24 32375.82 55705.46 21301.67 28482.72 52067.1 55619.64 33239.8 24882.41 11301.46 22985.27 16977.77 4815.78 49200.38 53580 13625.11 53266.67 51145.23 20348.81 27256.54 41189.89 53090.15 19643.33 16107.89 14649.29 73506.77 35870.97 42512.23 24467.97 23797.38 23498.93 23617.87 24652.29 23530.32 25935.87 24694.26 16576.16 PA(18:1(11Z)/18:3(6Z,9Z,12Z)) 5165.6 1468.04 1233.44 656.2 3045.6 8374.59 3731.68 2839.99 4687.7 502.46 1483.05 4242.76 4834.99 703.55 8565.9 7214.16 1352.47 2134.25 1298.8 2535.78 1253.15 1818.61 1459.85 957.36 1684.24 498.93 800.62 261.3 771.91 430.04 563.1 2102.43 1557.92 255.84 1280.4 696.27 538.79 813.38 931.53 505.07 3397.35 723.6 1450.94 1592.25 7224.87 1326.02 1150.42 782.52 638.1 3577.73 876.16 1378.62 2331.64 635.42 894.37 3497.36 4327.14 1804.44 690.49 4034.06 2843.82 1684.5 11842.6 2754.79 2482.72 4403.49 2510.21 2107.03 1331.17 986.62 764.74 3372.89 5058.27 5250.77 4053.87 3764.47 3150.49 3497.86 3708.41 3749.48 3576.95 3924.5 3266.03 3587.54 PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 20931.95 9830.87 1793.1 13458.44 8292.96 13080.1 7084.28 7937.76 10424.32 2355.95 2634.28 10920.76 12714.24 13316.77 36866.17 7190.84 19412.98 28738.93 21014.28 23837.92 9938.05 786.01 1575.2 6172.62 12348.48 3198.55 652.94 3467.49 16189.14 10646.94 10872.98 12982.81 4231.15 1234.6 3403.29 4996.2 7621.72 1280.64 710.44 3931.52 20117.87 10059.06 4547.8 6596.37 15641.46 5075.94 18705.08 10646.72 4900.54 19784.01 4351.6 6005.49 5269.45 7664.73 11211.73 5993.18 3489.63 7589.57 13784.09 5670.43 7318.51 1545.26 7056.13 3067.57 6743.15 8907.44 19144.22 7340.22 19727.16 7531.58 4209.43 8610.42 5535.08 10138.1 6881.83 11279.05 12127.47 9280.77 12095.57 14144.43 11331.33 12063.64 11869.4 11252.04 25-O-Desacetyl rifabutin 1914.63 2482.4 6221.85 22065.72 2379.02 5624.79 8980.35 3490.65 342.24 9225.54 4660.1 13418.92 6213.16 4720.73 8931.49 5838.12 2265 7291.07 10450.37 2284.72 942.42 12869.22 5100.46 585.51 4986.21 3991.68 2616.6 3651.31 5621.38 877.92 6840.19 12193.8 4912.96 3066.35 1741.45 9015.11 3320.58 1524.73 2600.19 1922.32 8359.97 9078.93 3149.67 5617.39 11120.42 11698.16 6720.57 14167.48 10080.12 4491.29 3717.81 7925.48 1999.88 3473.5 7576.65 4062.32 1458.03 1212.77 9360.19 3556.75 4470.81 2159.35 7403.9 6386.3 3819.71 5261.42 3211.19 2521.14 4835.96 3954.7 2089.68 6638.21 2167.31 6367.21 5837.98 10900.07 10890.51 10851.07 9588.15 10955.69 9840.7 10300.35 10975.91 11046.64 Norbelladine 14460.3 29128.49 32870.37 41969.52 15253.53 16041.52 29189.82 13917.28 10154.67 31648.25 26239.77 32326.38 44316.97 45174.76 23309.17 19201.51 26393.5 19064.1 34111.63 6030.43 5713.04 35459.17 49348.38 58890.84 25052.46 8811.55 53683.26 40125.16 33424.19 3599.71 7924.55 24410.7 27652.06 39850.9 46015.09 34822.02 18920.38 13723.04 50522.5 40033.67 5656.73 18974.75 53033.13 39034.08 14147.93 30003.8 15569.96 47620.35 39326.32 22010.64 16296.41 32759.54 49055.5 42015.39 20980 31428.13 18343.37 31438.51 13684.13 23915.19 64733.06 64663.63 17343.69 28734.1 26614.43 28892.27 9050.56 41471.72 32890.58 13689.7 14216.07 35954.78 18801.52 37954.86 33516.35 24713.38 24659.39 24614.47 24613.88 24615.4 25625.55 24722.45 24828.44 24614.69 2-Decaprenyl-6-methoxy-1,4-benzoquinone 4177.94 5458.51 6752.06 8847.34 7891.88 16238.87 11893.95 60142.77 19620.97 15839.71 41696.6 57161.19 44542.5 39656.83 12115.06 6528.4 7575.37 16328.92 1637.27 29103.02 38681.78 7102.61 13870.47 74360.34 56697.76 6594.12 12067.96 14319.9 17288.63 9648.78 12157.41 12515.64 93679.11 8435.62 55924.89 34414.62 7708.66 2650.49 2959.39 47804.76 10009.1 6987.37 22727.94 23418.55 19974.78 9766.99 63550.96 15269.51 26835.74 32470.21 81554.57 9128.41 18716.47 63059.77 42088.15 13925.1 10996.02 22019.42 22320.13 11671.66 12406.49 33345.81 58209.56 4798.73 61315.6 28667.66 5044.15 35504.27 18215.34 43480.4 12386.4 494.71 49624.01 43354.95 42301.91 23784.16 22106.05 23530.96 23850.8 23386.85 23854.28 23868.31 23847.98 23413.54 Dukunolide A 6687.7 6976.95 679.27 1780.19 7320 4813.77 2374.44 11998.18 15835.49 13085.22 7290.28 5089.56 2432.08 1690.31 12965.86 5518.34 4000.47 10459.26 8951.23 11075.52 8595.02 1830.35 2695.27 4336.39 9769.95 6059.02 1374.67 1507.58 7573.57 1926.29 11151.58 2628.36 5196.81 1367.9 1934.84 7968.82 8153.13 740.04 2336.85 3374.25 6064.38 11502.57 5320.72 5134.28 13682.68 1299.29 15518.61 8410.89 2023.5 1908.64 4995.9 7116.22 2943.3 1341.92 5315.5 3088.26 421.48 2841.26 5581.02 2372.67 5142.37 1815.03 7122.92 9434.47 8922.81 6888.11 5124.47 6766.22 8192.45 11806.01 13380.29 9159.18 3639.82 2767.57 1569.55 6333.42 4912.21 5580.62 6227.69 7015.22 6013.11 6054.89 6295.56 6392.2 PE-NMe(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) 9974.33 9754.61 2486.4 4889.17 4747.36 15469.26 2527.18 13423.06 14420.66 8565.23 7271.81 3840.97 6634.29 5342.83 14991.14 4746.05 8844.24 8872.26 8056.18 8890.8 6366.89 2221.16 8410.3 4644.07 8948.19 6378.58 5311.08 4710.08 11328.74 2323.86 1874.04 3497.48 7003.92 9285.11 7549.83 13724.47 11072.65 1396.32 7117.4 5038.09 3186.17 8724.69 19778.93 10853.94 4369.8 8275.84 5209.62 16213.94 8626.19 4860.82 3099.2 7077.23 7292.47 7279.31 9120.5 12371.92 4888.49 7712.15 6656.81 5496.25 9959.27 3648.72 28988.99 11011.75 11048.37 9641.38 7646.5 14663.38 5970.11 15848.13 14490.16 4325.12 10389.84 5326.9 5737.7 10502.95 10745.61 10824.2 10825.01 10424 10437.93 10466.68 10621.5 10681.51 (10S)-Juvenile hormone III acid diol 267105.22 326225.48 82859.34 421909.51 438215.7 636144.08 520811.22 430821.45 444270.43 229973.15 417803.31 350794.93 114197.09 223227.82 752653.05 670833.88 596320.09 831955.02 465363.93 730823.33 170397.83 73454.1 58664.66 86455.72 101038.14 140358.65 36859.29 36295.23 120379.02 285284.32 124487.77 212830.6 288664.06 63383.59 101045.99 84573.45 255130.17 49328.69 161404.05 147681.65 763828.58 195582.48 166354.89 357343.96 400909.14 288228.27 552573.27 340873.62 79344.41 422155.57 188223.88 265167.8 127886.45 164958.74 474278.06 358024.51 229083.6 258645.86 663422.5 571753.94 421238.01 230368.32 480199.77 574161.22 711684.05 360369.17 503935.88 192947 301401.88 536240.89 760325.88 458186.41 545367.21 642386.19 596163.56 531110.65 540931.98 533629.36 538872.25 532125.69 531564.42 531741.67 521693.41 539322.84 [4-(5-Hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methoxyphenyl] hydrogen sulate 7709.07 13588.22 2840.4 6784.98 13389.49 27770.7 12296.93 12907.47 33108.28 5967.1 8371.89 14359.31 7975.29 6507.82 13842.83 7110.19 11231.52 33951.77 15456.84 6660.13 6915.18 9487.65 4323.99 3800.17 6643.12 6809.81 2585.17 2252.58 20859.23 3733.46 8053.57 9207.9 8314.96 2963.73 4229.66 6018.79 6844.09 3570.5 3737.08 2487.4 11255.11 13615.83 6342.49 6414.2 24750.96 10479.01 13948.91 9286.03 5472.79 12420.73 9553.22 10159.63 7795.98 8835.45 4653.7 12054.93 3813.09 4609.57 12568.94 9403.36 3137.93 4487.93 13503.49 10811.21 7220.52 21151.18 25077.72 8966.48 7458.7 4458.49 17040.53 11198.36 9762.21 12749.69 14045.27 13815.05 13853.95 14259.11 14139.22 14413.76 13803.23 14257.91 12776.45 13854.46 (E)-indol-3-ylacetaldoxime 13519.71 18543.75 3143.31 9938.73 18549.82 25454.51 15052.52 18492.18 18349.41 18535.58 11715.9 17544.55 16599.69 13660.63 24416.95 16713.46 11298.49 30699.58 29135.72 27516.68 8624.09 6755.3 5237.29 4494.58 7484.22 8241.79 6438.32 4833.12 11941.01 4091.55 11143.89 18027.57 5401.23 4744.2 3476.98 7624.44 7713.53 2376.97 6232.43 4295.39 18807.56 21651.93 14160.51 10583.84 24245.41 37458.91 20894.28 10533.8 5386.54 23117 11683.11 22099.63 8527.77 11058.8 15228.02 20518.47 5122.67 5355.63 17045.59 10172.16 7969.91 8567.04 15121.25 10289.3 11670.58 24375.93 33015.38 11193.97 12826.16 15739.79 15560.09 14695.35 9856.48 15773.31 12198.52 18565.07 18170.02 18285.76 18117.59 18562.52 18402.78 18375.47 17194.63 18137.48 (2'S)-Deoxymyxol 2'-alpha-L-fucoside 545.56 196.22 893.17 515.14 1005.51 906.9 1080.97 3956.19 518.58 899.99 624.5 629.64 1183.22 3075.8 4216.38 445.84 832.54 7575.6 13413.8 1867.99 1728.43 1002.27 1837.01 426.53 1417.97 450.39 322.88 434.86 1906.46 784.08 543.67 4001.62 3191.68 598.59 363.09 4333.22 3441.14 365.02 426.96 471.22 1267.68 713.59 2918.5 430.81 4509.75 412 2581.37 3726.34 2699.03 1983.83 985.42 3162.13 2319.05 806.24 2612.32 1260.04 1149.88 267.72 4941.82 985.18 1142.78 580.94 2646.96 3804.79 2977.74 646.85 350.26 217.88 815.27 6445.46 1222.03 1293.07 3674.44 227.05 497.05 3228.97 2876.17 3117.41 3016.53 3134.89 2919.43 3216.64 3008.05 2990.62 1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate 8915.31 5430.75 2132.67 4592.94 7301.41 7131.48 8455.87 11817.16 12086.22 6923.93 10471.45 6037.54 5444.67 7770.93 11943.28 8033.92 6119.86 8283.54 18260.38 12111.06 3413.74 888.56 1633.4 3180.14 2071.79 606.98 4168.61 2581.15 2430.03 1708.08 2290.42 6618.31 4545.5 2122.46 747.82 2421.66 6463.43 314.61 5006.92 2762.16 8621.28 6866.94 3864.38 6087.94 10774.84 11079.18 12206.93 6837.22 6591.35 15210.57 7230.53 3417.19 3569.57 2151.09 12567.43 7856.3 3197.19 4236.55 11441.35 3482.35 7832.27 4818.42 12063.21 8599.99 9553.91 11372.58 10505.33 7318.75 5273.16 13836.36 15039.39 12500.21 7310.41 8818.53 11528.4 14482.12 13398.94 12817.97 13194.08 12848.26 12927.74 12834.87 12421.37 12771.82 PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) 1590.16 4921.35 567.59 717.44 2117.57 438.56 433.33 3185.73 9156.42 1224.6 9700.11 4065.76 565.75 5302.24 5155.38 2064.02 3852.42 2387.47 1134.29 1695.1 2988.93 1509.04 1816.41 1100.97 1701.66 321.46 752.28 3245.99 1651.15 1718.37 1304.39 2899.37 1459.38 1812.11 821.45 466.49 2461.32 664.21 2347.88 1534.05 2435.62 2517.32 2248.91 5962.11 2769.2 2514 4146.96 2250.59 937.71 1045.87 743.92 1042.69 4320.8 4215.63 7132.75 1628.71 1410.89 3963.78 387.49 542.33 3564.12 2803.3 7521.49 2371.77 3329.69 7220.34 1421.3 1610.6 3060.41 780.88 3280.04 3153.22 12384.75 8490.07 909.67 3462.32 3491.12 3597.5 4010.45 3295.15 2702.19 2726.65 2962.32 4032.83 Demethyl-desacetyl-rifamycin SV 10593.3 2633.26 1223.25 1154.85 25192.83 2243.14 2238.21 13157.12 12452.76 3548.2 5348.74 17524.43 3473.27 10678.52 9781.68 14870.57 3650.89 13529.09 10844.44 6410.11 8572.26 3624.27 486.64 3409.85 9131.58 13116.72 1365.01 3575.1 8344.17 10984.85 11862.58 16080.24 3179.37 858.39 2310.68 8314.78 6296.77 643.22 3746.96 1162.61 18040.63 19561.8 3628.42 1834.99 13985.94 6257.7 5860.53 3617.11 8460.66 11074.47 13659.6 6646.28 2679.32 2299.21 14764.17 1663.19 1180.92 4638.08 10254.43 2846.92 1857.1 3351.39 4417.71 2592.26 5102.39 23775.75 3191.23 4680.72 5468.91 6591.34 3328.11 7323.24 5453.28 4113.01 3599.98 7791.56 8116.84 10247.01 10291.98 10282.24 9428.46 12099.59 9351.59 10129.3 Psychosine sulfate 7108.46 6993.52 24329.1 24544.17 978.89 30392.46 24600.69 10719.72 4737.94 8288.86 15058.86 2005.52 36419.84 11615.28 11919.95 39168.59 34088.19 28966.18 41441.78 33004.65 1165.19 29458.68 8266.84 7357.49 1498.32 14218.31 5122.46 7316.76 26719.19 8263.93 5187.07 15088.06 12276.14 21612.39 21800.71 511.36 1346.27 8306.3 12901.32 3509.08 19627.14 11726.07 22138.1 22094.4 5348.47 19967.07 23053.18 8208.82 15823.68 26310.68 3299.47 19970.9 38293.93 36545.86 5682.01 26215.05 20032.24 23176.32 13311.13 17256.77 9827.61 7493.81 838.4 23040.25 21037.34 973.74 10607.47 7900.5 11028.31 3021.61 1922.45 7426.17 4167.05 39963.37 24629.23 17525.5 17711.58 17713.74 17689.74 17454.92 17935.34 17468.64 16741.11 17464.9 (S)-4-deoxygadusol 6277.21 16218.72 6097.6 3875.7 7561.32 24163.22 3445.14 4658.48 5597.01 6579.55 6336.36 2147.66 2909.45 4750.3 13041.75 5941.12 5111.88 8555.21 4928.82 9028.27 9070.72 20171.8 3770.16 5073.44 4802.92 19113.02 4049.69 3749.01 8654.08 1471.31 14791.12 6719.62 12801.69 6091.2 6148.2 3197.72 8757.58 19605.06 4148.14 4914.27 6291.87 9358.39 5136.31 4276.53 9404.3 5364.59 6876.82 6396.11 2992.11 8670.07 8360.09 17563.58 5090.84 6388.44 7689.58 19978.25 5272.03 6016.69 7000.15 19774.24 4383.01 2710.2 11388.04 5019.61 6029.46 8244.28 24940.09 2736.2 3877.62 6193.51 11812.12 8921.12 7119.77 8423.44 5370.15 10336.69 10332.55 10219.59 10228.88 10181.98 10331.48 10286.09 10504.58 10219.27 [(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate 22992.63 11040.44 1639.57 5421.72 14842.66 4620 3904.65 33067.12 53410.48 13084.47 18019.84 110198.31 5113.93 9733.59 35621.01 13823.96 23134.44 24221.12 27832.11 39487.38 20638.8 7551.81 10898.2 9291.63 17112.92 14138.18 7728.32 7445.42 27261.27 16628.66 8150.97 22024.34 15002.08 4112.69 8762.57 22082.01 22394.54 2343.16 12934.98 9074.4 5158.82 4190.02 13248.11 16471.17 31857.67 8870.58 48674.74 30452.71 21994.76 26948.78 11675.51 19125.44 10425.26 15122.92 29519.13 22282.99 803.44 14324.93 39729.58 6315.58 22243.36 11908.37 51603.84 34873.51 40394.89 13016.46 29360.29 19152.88 20762.82 33803.96 45060.93 21181.94 23806.13 26829.45 21693.55 26178.42 27060.67 27055.79 27136.95 26523.78 26183.77 26138.83 26603.23 26637.95 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5,10-dihydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 2197.84 1734.09 583.28 776.7 1538.45 2218.88 381.45 5880.51 5413.48 1646.64 707.05 1792.61 188.75 1590.18 5146.68 1624.93 457.61 6055.56 6805.11 10058.55 2023.96 242.97 1059.18 715.76 688.05 1067.21 668.33 1137.36 3052.8 733.61 2898.69 1954.47 322.75 594.65 542.72 1402.86 507.46 385.22 322.68 733.65 5348.51 5194.66 459.93 1375.68 8518.65 1150.17 7438.16 2296.93 881.35 7277.08 2008.34 655.06 920.73 1042.86 631.83 519.61 378.93 386.52 1146.24 1099.75 300.93 329.17 1205.84 366.3 2767.93 1884.27 5794.16 1268.13 834.4 3386.95 4997.42 3761.76 3733.81 764.05 1835.71 4599.53 4689.23 4449.31 4364.18 4664.68 4722.82 4496.06 4481.59 3794.78 Tuberoside 6251.28 3356.93 788.48 2969.85 2332.17 3881.61 1023.51 10580.26 3798.94 2769.03 4016.97 7096.28 16742.61 8433.24 4813.59 3210.09 2516.61 5963.38 8860.58 1411.17 2006.5 1184.57 3392.26 1200.74 1350.48 2445.04 491.21 1496.63 4927.93 927.21 780.64 7327.21 1790.61 2991.06 1783.47 7866.15 2456.44 1270.55 3207.16 674.34 450.4 8275.27 3881.97 2593.88 17281.96 3899.8 4253.26 6351.6 5540.42 8639.48 13709.11 8191.04 12188.11 7623.79 6242.01 4918.42 2123.29 1855.8 5842.27 1577.34 6478.67 5436.33 9128.99 4073.26 1964.51 9803.86 3508.52 2072.73 2370.56 1953.99 10800.71 1438.64 6142.62 2388.06 11103 5814.37 7116.09 6764.81 6788.29 6796.98 6928.56 6776.02 6757.59 6745.58 cyclic Melatonin 10521.86 13573.03 720.51 7008.78 3032.83 5595.96 3481.13 1653.53 8513.33 1207.11 2229.42 5135.69 15030.08 17740.97 16192.12 3346.93 8653.78 51793.6 8836.6 36118.65 501.06 219.66 1068.74 640.43 1303.81 622.99 1151.25 1073.31 8483.21 3053.34 19712.27 27859.05 2478.67 1192.79 282.47 6027.92 1713.66 1429.82 651.11 488.84 34543.88 10460.41 1921.24 2048.88 38858.87 5818.98 15841.86 1873.43 6770.5 29652.73 9744.3 18452.38 1683.37 4239.07 10840.07 16278.44 1046.55 1619.75 513.8 1370.79 1140.38 315.73 9185.67 2478.43 8545.83 16895.27 32073.85 1488.23 5539.05 2470.98 3386.63 1010.1 1012.13 5753.86 3199.68 13121.02 12805.08 13059.71 12870.34 12796.07 13059.38 13274.42 12785.64 11793.39 Atractyloside C 8402.54 5033.96 836.68 2783.66 6178.07 4836.94 3746.21 9601.83 7553.41 4254.67 4170.97 4707.15 1839.1 583.22 19099.64 6191.63 2214.64 669.75 1285.44 3800.71 12809.85 4292.61 3764.9 2824.76 4338.79 1549.31 577.61 2095.18 4548.19 1101.85 2221.94 1001.33 7128.24 3100.39 990.08 3684 9632.09 1488.18 3278.2 1013.51 1327 18203.35 2475.25 3299.61 5244.4 888.57 11806.2 1979.75 632.13 3563.79 7137.54 10143.91 2495.73 1969.89 4140.22 4814.76 1350.92 2221.48 9378.94 3140.05 2101.52 683.85 12822.05 3413.5 14926.02 22930.31 23224.38 4008.39 3134.85 10462.86 12276.79 14389.44 5324.07 5128.02 4499.66 5263.61 5356.48 6329.41 4976.04 5637.69 4779.97 6063.61 6123.29 5748.94 PA(18:4(6Z,9Z,12Z,15Z)/16:0) 5877.46 5674.47 3178.51 4636.87 6103.36 2417.89 1754.83 7704.52 8551.03 13039.58 9005.1 10764.65 5208.26 10923.39 30650.45 4297.32 10019.61 8790.83 20652.43 12454.89 6696.09 2639.46 2536.26 7546.95 7114.97 3738.06 1874.89 6551.13 7751.14 6245.27 4725.8 3478.72 5908.17 6499.7 2145.58 3894.87 6701.32 3181.1 2842.23 1661.1 3551.95 1929.1 4176.22 8084.43 17381.83 7348.5 12108.05 1863.2 8771.53 21077.06 8619.92 9093.83 5768.43 2937.23 10259.55 5273.81 778.54 7863.58 10145.23 3467 8142.85 3857.62 8551.48 8799.6 17889.63 10123.08 5598.78 16805.49 11477.89 8246.47 10962.92 24881.4 4791.5 4008.06 4411.2 6555.4 7251.86 7210.28 7237.91 7073.47 7066.39 5160.62 6262.62 9419.54 6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 7801.42 11640.76 7491.57 14243.16 17404.78 25014.5 994.85 17028.96 15204.35 11415.1 24898.72 11345.94 17560.78 11977.56 7965.41 26380.3 14949.66 16259.82 20069.96 29112.86 10953.21 6401.02 12381.17 14443.09 10189.56 12228.55 5327.13 10641.03 23556.26 3051.34 12203.87 9440.51 5026.7 9069.74 10340.4 11993.41 10227.71 4269.52 11878.08 7118.89 23530.65 15107.73 13842.03 12959.67 23319.27 16220.84 24228.92 13611.3 7980.85 35030.36 6822.91 13079.94 12116.23 19255.29 7499.16 15039.67 5981.05 11172.58 13607.45 11889.72 16810.14 9948.14 10796.6 15862.26 23439.89 3692.21 23062.59 14019.09 12391.3 11882.41 16361.67 12354.07 16926.81 18774.79 26077.72 15811.89 15460.6 13647.1 15459.5 14764.58 14703.64 14729.23 7381.01 15231.55 PE-NMe(14:1(9Z)/20:3(5Z,8Z,11Z)) 10142.34 16266.42 3180.7 9593.95 8139.23 9100.6 5900.74 12514.53 14797.8 9404.19 19832.97 12777.83 4581.61 10413.68 3436.12 4875.74 4546.39 12840.69 13937.64 19504.37 13196.35 8403.03 4082.67 10425.52 9177.42 10348.91 6038.66 6213.97 4366.47 17006.93 9529.26 7290.69 13579.34 3548.45 6588.39 6863.44 11053.63 2883.19 12168.09 8443.93 14353.33 7495.75 16186.36 13343.96 15960.8 9813.43 22625.63 15367.91 6300.64 15716.23 10514.86 15838.69 12315.69 11274.99 12313.01 16125.67 3363.72 5163.3 15577.19 4747.16 12086.12 10652.95 11141.36 14924.14 20342.23 15587.38 18147.93 10249.23 16817.76 14147.89 16279.13 15306.8 15391.88 9058.31 16273.75 12141.11 13286.61 11871.06 14050.38 12665.86 12370.97 12652.17 13319.46 13506.1 5-Amino-1-(5-phospho-D-ribosyl)imidazole 1966.47 2047.59 1274.18 3959.52 487.56 471.67 1245.12 2205.68 431.49 338.75 334.42 2077.06 1681.84 737.52 1679.01 3057.92 1917.12 1464.32 1462.33 717.17 8796.6 641.48 1026.53 3396.2 797.17 1576.15 1299.11 1307.6 528.97 5405.92 2224.62 1159.77 1519.64 1828.52 1214.99 1265.53 1726.68 883.53 3712.97 3044.05 732.39 1047.6 481.97 661.36 1445.38 1239.83 1898.53 372.22 2170.7 1046.53 1149.36 3775.25 3502.55 4138.86 2223.05 505.95 601.32 494.59 2391.42 7655.04 2373.59 3173.54 2102.63 3765.65 3344.01 1780.51 4650.45 1666.65 2424.12 3217.27 1374.43 976 5354 2925.96 3549.59 3197.12 3114.07 3141.94 3095.04 3164.92 3179.06 3095.63 2331.31 3225.77 [(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate 1291.83 2697.26 7347.95 6976.68 7486.88 1855.19 3989.26 5569.76 3017.7 5674.58 4497.04 4308.08 2858.16 4552.85 2070.61 5019.74 1396.1 1879.28 5962.76 2006.33 3712.97 531.28 2373.4 2168.05 1482.43 1322.54 579.78 2195.59 860.05 1659.46 576.23 3391.05 747.94 798.58 858.92 4191.87 1652.46 676.05 2160.3 762.89 1181.42 2109.48 3774.04 3571.47 4198.98 8378.15 1428.99 3458.02 3880.22 2104.26 1682.73 4832.2 4762.33 5953.46 3759.71 2151.52 1450.11 1844.17 4175.46 948.06 1357.25 4394.61 4619.39 8227.4 3477.58 3419.23 1079.41 3979.53 2759.91 4975.58 1455.9 3956.76 3214.56 905.67 3476.39 3612.93 3727.22 2439.55 3887.26 4003.87 3435.2 3650.54 3846.68 3848.21 Avermectin A1b monosaccharide 3810.01 4682.96 3165.84 2663.39 4567.18 5767.93 2489.92 4478.01 3404.22 5305.59 4412.01 5575.75 4371.84 3942.87 4874.14 2619.64 4589.63 4059.52 3922.1 2449.44 4486.42 3610.64 5635.96 3978.7 4736.74 4182.9 2884.75 4789.49 3544.45 2375.45 3382.63 4431.47 4582.95 3573.1 3491.44 6275.16 7340.84 959.17 5074.36 3025.27 4012.76 6430.68 4846.01 3496.11 4748.63 2248.81 6779.72 2373.69 1307.92 2074.87 3736.97 7105.09 4724.46 4869.2 3422.17 4762.53 2947.19 2486.6 4085.61 3636.25 3212.49 4561.47 4036.56 5739.35 5783.8 2237.49 4055.79 3910.51 4936.17 7252.92 3595.37 5017.89 5006.43 3173.78 3904.17 4817.69 4968.21 4972.7 4984.62 5067.3 4671.4 4976.73 5012.72 4986.8 5'-Dehydroinosine 6655.99 6957.6 4333.32 10037.12 6208.36 10383.65 5951.01 5215.45 3598.84 4873.39 5408.16 5966.01 6203.24 8958.9 11136.77 9370.37 8021.32 12742.27 11212.09 12279.36 4444.79 3728.27 2990.87 3025.61 2650.17 3176.54 2416.19 2993.88 2921.98 2992.95 2317.39 6746.89 3937.48 3245.38 4748.46 4276.02 2408.81 2775.91 3822.49 1923.97 5310.79 9681.53 5319 5716.4 12600.04 12121.99 9764.43 5580.45 4724.1 15400.24 6537.73 11538.49 7152.69 6838.23 10367.53 10696.29 7152.77 6390.17 7025.76 6869.29 5650.52 5976.02 6630.9 6401.28 4922.55 8681.83 16646.41 9575.51 10951.04 6591.32 6375.78 5918.9 5891.7 6465.75 5945.02 1432.12 3868.08 1160.89 5131.73 2997.42 1830.29 1325.58 3737.36 1460.71 3090.83 2750.11 1551.86 2232.79 5237.39 1474.52 4667.95 3071.99 3329.66 4565.25 1045.87 754.1 1918.94 3405.71 1270.19 3709.97 8865.37 9105.99 8839.9 8896.26 9096.19 8919.95 9097.25 8842.21 9122.01 1-Oleoylglycerone 3-phosphate 22306.81 10385.95 7024.99 4228.2 2798.75 2778.64 3970.61 8161.71 1617.67 10982.73 9896.57 42056.93 14571.64 15286.2 12897.18 21241.6 7931.2 17809.01 20720.67 17357.67 22281.95 2982.83 4087.96 5759.29 18421.38 6001.06 7449.52 7593.14 11803.31 13743.8 11610.5 4911.46 1052.75 8723.32 7750.85 8958.47 11142.4 3373.09 3658.19 5232.61 3442.63 25177.44 5987.07 5376.03 3636.26 14408.51 16179.88 16701.83 10915.51 22316.53 19643.41 6865.38 3622.34 9273.84 12983.17 6721.2 4964.3 6627.27 14589.51 4808.83 9322.45 7690.37 12637.04 7051.13 9970.9 22622.97 10699.11 36822.46 26342.05 17319.35 22062.82 14783.57 12699.06 11148.22 27506.44 18341.9 16902.14 18665.82 18470.63 18607.19 18613.12 18349.64 18341.82 18439.96 Zileuton O-glucuronide 1614.37 1917.32 4750.07 9815.7 5387.47 3314.43 9021.05 4007.94 12612.54 5223.75 16876.89 27759.62 19665.49 12720.91 1224.74 20434.45 10962.62 4456.02 68120.28 5454.94 8802.5 2246.03 12377.71 12438.35 4334.99 5919.18 3928.53 10006.25 2818.96 11463.99 5935.14 19786.93 1373.11 10572.62 5065.51 4885.21 4331.23 998.9 17759.44 7105.58 9262.56 13615.89 18756.48 13789.23 9326.18 14298.2 3893.62 14275.93 14003.87 24258.53 4027.17 4442.34 16422.77 24145.34 2263.5 3444.33 5522.6 4168.51 3901.14 5399.01 9548.27 7217.28 4449.9 7857.33 10174.34 8917.61 6082.64 11190.39 18593.6 5274.73 3302.27 5172.41 8813.06 9848.81 14244.66 8530.21 8451.34 8808.58 8437.47 8428.21 8996.29 4683.33 8714.47 8913.55 ascopyrone M 3574.97 4658.5 1725.72 5829.18 5044.57 15499.73 6698.75 4612.62 6483.24 9266.39 6611.48 6488.13 5175.14 3933.64 5245.9 6070.43 4495.17 8864.14 6918.94 9311.33 1225.55 3249.59 2120.95 1280.28 957.19 1788.81 522.76 2401.51 1270.03 635.79 2363.45 2082.43 2040.58 857.5 1644.36 800.69 950.2 556.76 4713.47 939.37 5906.92 2765.65 2101.6 3005.91 5986.16 3463.9 5664.17 6230.62 1012.68 6195.62 1434.95 2428.12 2634.61 3240.94 4049.62 4121.05 2260.24 3821.83 4495.44 9958.48 4854.08 5167.37 3881.02 4089.97 5871.5 4887.99 7077.3 4780.53 6447.77 4481.27 4721.08 6699.09 4280.31 3068.73 3126.51 5172.53 5304.16 5232.01 5184.9 5334.33 5305.54 5281.14 5057.49 5370.07 N-Acetyl-leu-leu-leu-leu-leu-tyr-amide 5365.47 14416.73 7229.54 10439.4 10371.99 16436.28 9387.41 15264.22 9161 11780.61 3425.09 13814.38 9758.46 12114.37 5301.45 6712.36 2961.34 8195.74 9266.2 15648.34 22785.18 6251.36 6869.44 1035.9 10614.96 2905.5 1446.61 4950.96 3810.07 17167.19 3455.52 19726.4 18549.2 8266.42 2285.12 6072 4531.46 2683.78 2596.64 523.92 18004.94 10045.6 4545.23 3786.22 25733.89 949.44 10431.38 11549.11 42583.26 15594.17 13653.53 10383.5 10343.95 11564.11 39145.29 8006.89 7234.81 6572.91 11075.44 2292.71 5313.73 2875.98 17083.3 6651.04 6684.78 12026.42 9931.61 6080.48 4055.93 11347.85 4231.89 6843.4 4098.54 7040.4 12660.29 9377.27 9930.23 9336.43 10285.35 9684.66 9708.21 8902.41 6666.86 9900.85 8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1733.74 3380.45 4156.16 1272.11 2820.08 733.47 3345.82 847.11 2647.79 21941.22 10734.76 3550.54 3094.88 3927.51 9346.28 17854.87 108649.58 2974.02 2883.67 5646.63 4354.34 1510.33 367.49 746.33 1051.59 1696.17 3002.01 2204.49 3917.45 929.38 3445.04 1328.89 16991.14 2819.26 3385.89 1296.01 977.37 1067.66 1940.01 706.38 7974.44 4472.58 896.07 4385.42 4791.61 8752.79 21680.21 3439.03 4679.83 4604.02 1597.31 6248.55 2878.35 1395.95 2102.9 9285.38 13024.56 1244.29 25804.68 1039.85 3950.23 877.77 3124.76 792.39 2106.65 7000.83 3619.8 6941.22 5178.4 469.31 5019.03 14227.38 957.77 3175.56 3380.07 7268.27 7097.14 7093.62 7054.29 7093.3 7129.47 7180.08 7061.65 7163.72 6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 1574.74 889.79 645.4 838.67 1918.28 1291.71 654.79 944.05 5367.83 673.46 3927.21 595.56 1152.78 694.78 3630.07 2059.46 11317.74 9843.44 3727.18 3004.4 1011.19 1362.92 1720.69 514.14 1742.39 5425.5 960.68 344.36 528.02 1337.5 1143.9 624.08 1893.77 426.85 1444.91 436.31 1588.06 894.03 1295.15 773.44 700.09 1206.28 1064.01 1239.03 705.39 2420.14 2922.9 2036.03 1639.23 1862.63 1490.57 995.54 1675.91 810.81 1809.82 2884.86 552.69 4107.51 2358.3 1727.28 1632.49 381.85 2414.13 1463.55 3590.58 2084.71 2193.89 898.56 2003.18 1649.66 9414.73 3108.73 1752.93 3889.19 1059.21 2870.67 2477.51 2798.02 2695.25 2699.19 2539.71 1660 2786 1699.35 [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 6707.67 4445.21 628.39 2308.25 5260.38 2725.24 3687.26 7585.32 10071.56 1628.98 2436.04 4565.16 10029.68 5720.57 5828.71 3505.73 3924.8 5735.79 13879.28 3202.29 6286.98 1767.14 4393.58 3858.88 9440.88 4219.24 4033.77 926.51 4321.59 747.27 926.77 4490.41 2506.96 8334.88 3509.82 10574.31 6971.57 1224.83 4750.73 2264.7 1889.97 3270.74 10015.74 3149.35 9658.7 796.36 6667.35 7943.87 14299.92 4971.83 11992.13 8051.83 14285.75 6539.11 9838.4 5978.78 4383.13 5839.34 7347.87 3846.85 11883.91 9693.25 8266.64 7138.66 5501.66 4256.48 1872.53 4177.48 4797.79 13511.12 8018.13 4378.51 13235.22 860.59 6015.02 5814.13 5156.14 5203.57 4781.54 5160.92 4469.17 5498.22 5761.85 5437.55 Neriantogenin 12965.57 20548.75 6269.48 20754.68 30908.2 17484.12 13461.95 9026.36 11156.54 23936.19 12662.61 14524.68 15971.21 19873.47 30884.97 9912.98 20586.83 22399.96 31851.11 13646.86 5907.47 4775.14 2214.4 7165.02 743.24 2160.09 665.92 743.05 5084.23 2726.66 4380.68 15762.1 3429.08 5503.78 3025.22 1237.67 2208.54 4603.22 836.51 2669.49 10104.17 17641.02 6752.4 6914.65 26066.46 19156.51 5423.41 4748.87 7982.88 21208.57 8127.18 13688.48 9860.61 6346.84 5401.35 12763.88 4868.62 8379.08 3596.25 7971.47 7899.19 8410.4 9978.36 6145.6 9427.23 8704.84 14960.39 9298.23 6931.93 6011.32 13451.23 19278.75 8301.92 11235.33 9266.97 11523.23 11231.15 11308.89 11616.12 11590.37 11580.15 11549.23 11572.79 11312.76 [8-[2-(3-Methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate 1446.89 2292.58 3213.62 4400.91 2407.45 6287.52 5738.67 2527.74 3705.44 6424.62 3496.17 1623 3227.56 1274.92 2639.42 1630.81 3696.1 2585.34 2624.12 3993.86 1870.11 782.69 569.2 650.04 1981.37 450.46 505.02 816.94 1503.59 596.02 795.61 2372.81 476.87 2621.87 886.69 946.99 1570.86 490.76 594.01 2005.2 1204.09 2446.65 980.48 4277.24 5189.5 4558.97 3497 4721.87 2045.86 3997.71 2150.24 2734.11 2645.04 1252.94 1164.43 2056.16 1453.07 1473.59 2845.34 1173.21 2481.59 3930.22 3938.9 1370.14 3149.05 4770.65 2609.1 3746.37 4242.52 2412.94 3183.98 3906.58 3095.71 1421.35 3974.48 3277.73 3058.61 3247.46 3325.51 3270.85 3283.61 3020.8 3015.36 3074.05 alpha-Tocotrienoxyl radical 143431.9 108306.81 29822.75 49120.08 3893.03 16146.17 8392.89 64156.86 78186.52 94478.84 156982.82 130226.3 56279.8 105115.36 83317.29 57068.85 41445.76 100349.69 33579.63 114231.73 72827.51 134084.02 37720.56 117462.26 92631.49 199447.63 179157.85 239704.33 51663.09 201582.89 160248.93 60562.39 29054.14 83764.39 97405.08 71773.13 125890.44 141046.95 209030.23 225786.16 58295.91 107285.76 100472.15 200086.84 117320.16 39335.28 73733.94 44782.9 23055.89 67250.21 55063.53 42178.11 88627.85 86523.31 25380.94 93257.19 63004.34 104767.61 39825.64 198070.19 68333.85 153108.67 41574.54 46262.02 79624.96 78646.11 136350.87 149179.9 241196.57 43236.03 82941.16 142960.96 59656.52 44841.95 62479.71 33843.38 33805.87 33748.53 34197.38 33748.49 33744.15 32586.86 34198.62 34222.67 3-Oxooctanoic acid 1406.79 2115.16 3337.24 4732.48 2133.46 4630.29 5826.22 3222.52 1340.04 3984.49 2483.99 4100.73 6583.35 4147.73 2286.46 2479.34 3921 3648.78 3898.98 530.96 974.82 1679.2 4022.95 2864.79 2612.09 1069.22 2025.65 2559.42 1839.29 1590.79 1218.68 4353 1539.75 2570.57 1903.28 1900.51 1163.14 949.04 4483.57 2999.91 788.16 2823.08 5595.4 6422.57 2607.89 3334.52 3620.23 5408.42 2765.95 4273.51 1066.6 3479.3 5966.35 5113.81 3941.94 3464.99 2449 3141.5 2381.95 3145.21 2471.48 5923.1 804.53 5083.57 1931.87 3245.54 1461.76 6820.66 4784.72 3240.6 1349.99 5360.98 2145.08 3798.72 4768.63 2247.72 3348.45 3166.27 3524.36 3188.81 3167.41 3346.49 3169.48 3334.27 Copalyl diphosphate 10640.93 4377.64 121.65 9281.37 4030.36 76523.77 18446 440.43 1857.19 46129.6 364.29 6796.84 6424.21 128.08 2195.44 235.69 138.56 296.85 386.84 225.35 82.38 35047.44 722.81 515.33 411.13 112361.35 947.62 123.98 148.56 107.79 203.11 122.93 11932.63 1915.24 184.52 82.44 203.19 56556 702.94 139.69 8084.73 6777.2 94.96 152.74 139.49 206.29 7258.91 113.52 5867.36 373.68 8607.97 1880.8 3788.77 166.66 9449.71 3902.56 106.49 201.74 3149.86 141706.33 198.58 2807.3 2202.86 189.51 113.47 6139.37 1487.36 211.85 3787.42 3274.73 273.89 52238.03 206.36 6055.06 5585.24 20715.17 20783.57 20782.88 20641.48 20680.78 20859.24 20679.2 20297.8 20720.81 PE(22:0/18:3(6Z,9Z,12Z)) 2175.55 39732.06 52911.2 63932.61 65137.76 37705.71 10189.7 81560.93 94835.4 78538.09 4830.53 52878.23 65398.69 50750.95 122558.54 67464.12 94944.57 49929.63 145104.81 78852.2 15894.48 22843.36 34335.09 17446.14 38460.12 23274.7 30161.11 24150.34 37703.59 3759.13 1682.69 56734.42 33410.04 32921.7 44038.59 47547.34 33549.91 2468.86 37213.34 9838.72 9174.83 59950.1 75728.58 37369.73 52181.79 62804.37 84251.35 72215.65 73857.37 9439.96 82466 60866.11 46253.59 65089.44 49138.06 42448.68 55357.4 49255.17 48319.88 3879.9 75318.77 59007.64 96978.02 62885.25 63533.37 74155.99 47488.98 71238.78 55235.48 8394.41 81327.96 121244.51 66180.49 55366.64 70099.9 33391.38 60375.87 61068.01 58166.87 59358.89 66823.8 58838.76 61076.69 57407.69 6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-8-[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 4263.28 1041.84 6559.21 426.98 3597.92 1702.76 595.77 12890.62 3006.41 329.91 5910.98 598.7 1888.92 3743.96 4531.02 2105.92 1330.56 11340.87 1229.03 5926.68 4835.52 5786.3 623.49 668.21 1305.99 741.87 511 1070.25 5868.36 657.39 3955.09 601.16 2365.01 6214.98 795.13 1679.79 7236.76 12645.2 3471.57 599.19 428.34 1039.32 1014.06 1800.82 4770.95 3522.93 8984.04 2427.88 586.37 1203.53 1772.4 4118.12 202.28 671.93 2327.76 352.76 10621.35 11191.46 11503.23 699.13 1619.37 1087.3 5792.11 1624.74 1495.51 595.9 4758.05 409.93 1888.46 14722.73 4665.92 4613 4279.58 723.11 1977.32 7994.57 8259.3 8223.17 8175.96 8149.93 8253.1 8258.53 8146.72 8292.24 22-Hydroxydocosanoic acid 2992.58 1557.03 1367.57 380.55 2877.4 2328.79 835.59 3947.15 2260.82 8678.64 5083.65 3284.81 4722.7 5849.21 1089.88 1475.52 2473.17 2125.33 559.88 1169.34 5472.89 4483.47 780.45 2709.49 1919.47 1070.59 920.24 989.58 1905.07 1370.03 5687.73 550.32 3431.81 3253.03 7245.25 2631.02 2629.34 2912.45 2998.82 3642.3 4372.44 21065.62 3746.39 2318.32 1019.97 1522.51 7206.08 3156.12 3137.53 4844.52 5198.24 3482.5 2001.93 3786.41 8666.66 3614.41 1570.7 2830.32 2461.78 6744.19 6257.91 4830.02 4603.37 2743.05 7099.28 3036.82 5807.8 8382.7 5589.99 3854.02 1900.55 447.25 1463.57 3946.72 8089.21 4785.2 4780.99 4916.75 4724.36 4793.75 4228.55 4945.23 4910.57 4918.29 3,6-Bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate 1174.44 1132.09 816.87 929.51 764.26 826.27 812.15 724.4 800.67 1530.72 1372.78 1283.24 360.19 329.31 979.02 1008.39 496.82 767.23 705.85 711.91 774.58 1138.65 956.13 805.07 601.35 1049.74 1420.62 726.69 1155.51 819 526.31 423.6 523.28 643.01 1502.67 1863.23 1340.04 1474.74 1674.91 855.9 987.59 921.98 879.51 1099.51 985.97 856.7 899.54 895.61 2514.09 506.41 1603.47 869.86 570.79 656.42 960.05 709.66 1381.03 1780.17 1569.02 2190.06 825.49 973.42 800.39 531.24 803.62 446.63 781.3 2177.88 998.05 1225.75 761.39 399.87 312.9 836.45 919.72 3556.01 3797.36 3913.32 3880.39 3520.57 3773.16 3698.25 3191.06 2954.09 1713.98 4858.43 3350.65 3223.77 3108.44 3744.34 6177.26 4435.08 3493.19 3388.71 3142.07 3462.69 3645.77 3837.67 3500.46 3491.52 1707.24 1571.74 1836.13 1730.54 1847.86 1833.96 1832.73 1917.85 1816.36 Methyl red 4494.47 5581.29 7579.73 7023.23 7866.81 9326.2 10102.24 9256.8 8758.5 11803.06 9797.52 7856.3 8833.84 10258.62 8549.29 8881.42 11823.21 9654.75 10558.89 8405.45 7053.21 7080.68 7378.95 7215.28 6236.42 6335.25 7316.39 6407.68 5763.93 5996.04 5137.69 6714.42 6951.83 6018.81 8042.85 6443.66 7022.79 6439.25 6785.51 5609.22 6159.08 8104 8108.39 7740.69 10062.44 11500.92 12203.22 10292.25 8536.33 8334.43 10541.72 7105.89 8106.79 7443.12 7864.39 8555.98 8620.67 9019.06 9182.77 8770.97 9524.55 11278.15 10163.32 10610.38 9832.67 8635.18 10567.28 9248.95 11431.2 8930.26 10336.99 11758.1 10465.21 9552.91 10391.83 11007.06 11241.06 10862.19 10618.79 10876.92 11052.61 10873.79 11089.49 11292.61 PE(18:3(9Z,12Z,15Z)/24:1(15Z)) 1974.05 20066.32 20629.98 2564.01 7890.62 7416.26 14919.33 12339.14 22275.76 24577.53 26356.75 17059.2 14323.69 25666.46 17259.66 16964.91 19664.88 8157.13 26627.01 10402.31 15748.85 6474.93 497.6 3761.89 6932.18 2781.29 4726.03 2201.84 10827.57 7480.59 4812.9 18712.8 7486.96 4169.6 3003.41 10134.92 6340.16 2626.03 1937 8396.65 12434.55 8925.29 30146.55 14728.56 16591.81 15182.25 9863.24 15230.09 2244.42 16904.1 14150.55 19231.59 12809.34 21071.32 13398.66 29731.78 17127.71 12278.53 9088.48 3503.52 13098.08 12981.55 11275.53 27347.48 16629.57 27469.82 9321.88 10710.27 23349.74 25795.95 29400.87 7636.63 18563.4 29356.29 10336.56 17222.26 16466.09 17253.03 17343.79 17209.55 16340.47 16288.17 16571.05 12006.65 PA(18:3(6Z,9Z,12Z)/22:0) 14210.98 7656.83 2412.84 4104.11 7883.41 6953.77 6109.42 12700.51 8737.02 6154.57 11054.79 13359.93 6766.6 7568.87 18281.24 4156.9 349.19 10274.86 12882.5 5482.39 6949.02 3461.14 2373.64 6395.66 8525.96 2910.9 4132.59 3525.53 5962.11 695.59 3943.17 6233.8 906.02 2638.29 4098.23 7870.88 5972.31 1474.72 4051.13 4064.95 7035.82 21437.54 6318.11 10544.13 4423.84 6848.52 17572.91 10960.01 4528.21 2645.03 3575.89 2896.41 5023.84 3111.41 19513.08 7375.9 1967.01 570.27 11325.51 1210.44 8266.79 3014.84 4752.83 1520.7 2143.71 17837.91 5013.54 7883.46 16536.05 12513.31 5227.26 4890.79 5470.63 2880.75 8317.34 10110.53 6174.36 10100.53 10360.67 9397.35 9849.84 10098.67 9788.1 10112.15 Lyngbyatoxin 13050.36 13213.61 18452.86 18007.93 6190.61 2284.2 9088 10536.55 11567.62 23405.25 36682.34 19001.25 15615.37 20670.41 5004.49 16637.49 28033.47 2256.13 16467.13 10876.05 15815.58 17568.53 31056.79 25632.37 13427.32 9769.98 16773.25 20315.94 16873.09 28362.95 12978.92 22183.08 16352.25 35910.87 36142.71 17676 9507.39 5813.01 17843.32 15209.39 11690.1 15250.65 26525.06 30889.01 6522.84 11587.05 16376.82 15322.09 27381.54 16176.57 24778.29 16853.45 23123.34 41934.38 15083.71 10578.68 14019.07 15666.5 10642.99 12351.12 26252.41 17715.32 12844.44 26044.28 18729.86 11723.75 12360.23 24542.36 25199.63 11218.43 9386.76 17040.75 15269.86 21443.49 28501.66 13583.33 13314.78 13586.13 13940.52 13214.68 12722.43 13660.9 13440.07 13587.71 Praecoxin A 6659.02 3918.54 5132.05 7285.62 4722.33 2881.4 7986.59 5451.57 6295.67 5253.07 3353.27 9809.13 17355.57 7524.82 4888.55 6069.05 8062.87 16762.56 5635.82 10458.14 11697.28 10999.71 5449.83 4909.52 10896.52 5152.9 6087.15 6908.3 5505.57 14678.56 9986.4 13223.01 5004.71 11622.37 4420.99 14382.79 5773.99 1927.84 6403.47 3489.72 11795.92 2720.77 3438.66 4621.92 6684.53 4988.39 4866.87 8594.09 2180.57 4219.95 4530.17 4322.47 5043.45 6260.81 4454.68 1231.12 5959.69 6998.33 4318.72 8732.4 2733.16 5142.31 6656.7 4331.54 5232.1 2255.56 4168.45 12996.7 8571.3 9114.52 8361.45 3738.28 2774.32 5947.42 3643.1 6773.08 6324.49 6843.07 6707.19 6703.73 6401.64 7372.84 6316.29 6784.1 [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate 2309.09 3507 5069.14 4400.01 675.21 2028.92 2426.35 8929.49 7203.07 9351.56 1989.06 486.06 5405.84 8768.3 8463.55 8362.65 658.32 5654.11 2977.88 2470.58 1905.76 1442.9 7142.82 9445.81 7815.45 4757.99 5804.31 5200.61 5936.22 3202.27 975.14 4965.23 3346.04 8873.21 8838.36 6475.55 5500.49 4033.82 5254.59 4340.88 2806.87 3888.91 8580.52 6901.87 4146.02 2258.25 6808.08 7481.47 7683.71 4968.44 940.94 9528.51 6946.27 6734.75 5112.13 4755.09 5855.18 9076.51 9258.94 1657.12 4441.41 1075.55 2479.87 7023.53 5044.78 1525.62 980.91 3595.75 3391.44 2674.04 10956.3 14346.05 15099.75 5976.1 4297.73 5110.88 6321.44 5592.03 5365.61 5815.93 5834.34 6277.04 6265.81 6277.56 Difloxacin 6978.1 21785.84 9249.08 7521.33 14939.29 37959.7 8787.84 13340.84 16248.71 4130.06 1150.01 7727.45 2245.41 1021.46 22743.15 5883.48 7204.05 11727.35 7507.28 16502.81 10264.02 18525.87 6337.12 829.09 4925.76 13916.02 1925.7 2694.87 9055.06 490.76 6608.94 5283.44 13565.93 6915.34 5394.24 2063.43 9626.76 7152.77 503 3897.43 10170.33 4939.6 9469.76 2688.95 7365.89 5159.67 10447.59 5986.21 3333.98 4006.62 1076.63 18695.57 6843.64 2436.72 10169.41 20336.22 5661.64 8932.24 16354.38 24560.95 6592.91 6341.08 17018.38 8885.45 8861.27 14484.77 22905.5 1058.5 1129.79 18088.82 18674.03 12404.78 6168.3 9458.5 7399.35 12931.78 12902.8 12924.22 12929.74 12922.91 12275.05 12922.74 12802.15 12729.02 {4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid 19319.88 16068.36 2679.04 4233.6 7236.51 35882.88 7048.86 15441.56 29607.16 12385.97 19024.13 22199.77 8861.74 11969.01 35665.85 23618 10669.57 19658.59 22342.64 46055.41 17420.13 10984.72 9420.84 10089.62 17542.85 16201.34 6996.25 6432.38 22759.52 5949.4 17978.54 15718.59 10832.18 9143.81 7869.13 8718.94 8960.58 6005.49 10575.77 7540.92 20258.56 21243 9149.57 11940.42 28991.75 3199.1 31658.74 13526.54 2000.84 17077.5 10537.13 19628.28 11064.5 12040.87 22291.48 14340.21 788.7 5701.93 29154.73 4455.65 13961.31 18232.06 15176.85 15037.18 17347.19 11933.67 36526.18 16389.51 17282 34848.66 33466.41 42743.49 27142.33 12138.72 17931.56 20138.35 18764.94 20131.92 19771.48 20129.85 19646.36 18878.24 19566.98 19638.69 PE-NMe(15:0/22:1(13Z)) 18212.6 9107.25 10718.91 8549.92 14191.55 4970.07 18484.05 20784.28 10657.55 14695.82 24141.15 21360.42 13847.64 10289.28 8442.63 14969.6 10208.88 13590.32 12716.59 5109.77 17870.63 5349.33 12765.88 12897.98 2399.62 9727.05 25189.28 26022.17 2686.15 9037.14 10171.49 12423.06 1538.77 798.87 8891.61 11352.95 10128.08 6587.97 10358.2 16522.13 9949.35 48647.89 9233.41 13970.54 8950.35 13794.17 3925.08 8430.32 26113.9 19011.74 38455.48 8086.64 21637.67 19514.5 14791.98 8123.43 7093.5 5615.31 10969.74 8373.08 21302.36 29553.54 11659.61 7845.99 9465.21 23467.81 8775.37 19806.95 10816.61 15358.47 6605.21 10897.09 12643.24 9942.47 12423.83 12650.64 12552.68 12435.74 12437.37 12436.58 12435.08 12549.97 12549.88 11861.62 Tabtoxin biosynthesis intermediate 6 1865.97 2922.85 1168.16 2823.11 2729.72 9832.71 4423.33 3199.86 4163.73 1383.22 2902.29 2657.51 2791.09 1187.75 3933.76 1488.55 1457.72 1411.75 4392.63 7279.31 1755.31 2386.69 1413.41 1511.65 986.31 1794.46 517.89 977.66 3521.62 535.33 1552.34 1486.44 2061.76 2293.92 1471.12 2009.77 1363.09 735.75 835.49 1272.71 8903.94 1842.93 733.44 1068.15 902.99 2723.61 4351.7 2700.04 1925.32 3856.68 943.71 1418 822.8 2115.23 1349.57 2822.25 380.17 2082.77 3362.66 2247.37 2778.25 1232.27 1488.92 2886.31 2828.09 1081.69 3872.29 1185.46 1775.3 1035.67 1063.18 449.4 3239.42 2328.36 584.27 4177.05 4246.97 3374.33 3722.36 3768.72 4955.98 4136.93 3758.65 3952.33 Germacra-1(10),4,11(13)-trien-12-al 1661.99 2025.5 2283.21 1418.07 1996.87 1491.43 1490.13 1326.21 935.77 1860.87 1799.32 723.83 1247.82 1163.62 911.39 819.67 1627.79 1677.93 1824.3 1957.68 1560.76 2221.82 3120.8 2814.05 1640.63 2811.67 2873.25 2362.05 1528.42 2391.88 2349.46 1087.79 2065.33 2570.13 3510.61 2519.26 2431.24 3631.54 2590.05 3380.83 1451.67 1443.79 1904.04 1113.4 1795.22 1354.29 1316.22 1214.32 1422.71 1245 3091.51 1093.58 2226.88 1365.18 2050.61 1663.38 1627 3142.53 3188.32 2281.23 3018.65 2004.96 1847.54 1477.43 1553.69 852.46 1814.69 1916.6 1477.89 2137.35 2452.21 1522.91 1703.54 1130.97 1272.55 1119.55 1116.54 1180.25 1174.28 1128.72 1229.22 1175.66 1156.5 1175.85 5-amino-2-[[(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoyl]amino]-5-oxopentanoic acid 3252.78 5247.28 1664.56 6060.1 2677.12 14713.11 4191.91 735.97 7406.75 10438.12 2540.5 7069.94 5859.25 14984.2 10388.89 3121.41 9132.52 7736.42 32837.14 8985.02 2258.03 2175.56 1791.55 749.96 845.19 525.77 1203.05 428.2 2209.21 2128.36 2085.05 8323.04 2351.11 1835.79 2441.58 535.02 703.16 1005.59 1680.58 1425.52 4363.24 4214.04 4140.86 1943.76 2807.74 11850.14 1989.41 1828.53 5387.58 6584.34 4799.58 3747.72 2916.28 6114.69 930.97 1611.81 2269.4 3452.12 1561.95 3499.77 2590.51 2430.16 4399.85 2765.7 3405.07 4885.74 9161.13 3599.14 4219.83 3020.8 4770.34 6498.22 3417.8 4938.92 4658.4 3966.58 4603.46 4576.1 4496.8 4425.92 4585.03 4563.13 4576.14 4291.53 Formothion 1132.38 562.54 427.97 1255.74 2824.07 4244.11 4287.01 1619.22 1363.98 913.84 864.09 1643.29 1613.69 629.4 1252.43 1212.44 784.8 1376.22 536.08 1768.8 917.56 982.75 520.17 677.49 846.49 1227.55 512.73 367.15 953.98 601.7 583.85 1033.32 470.88 844.65 549.22 667.85 595.88 399.24 736.12 389.74 3604.94 2092 282.12 724.83 2882.59 2626.79 1220.29 448.73 922.18 1134.43 2244.64 701.12 832.25 1224.38 1589.08 357.54 521.72 424.76 1094.31 2180.63 312.57 706.38 662.3 468.96 517.36 2743.76 1054.33 1168.38 655.31 1244.8 1062.38 1328.29 573.09 1552.68 1417.39 1978.39 1935.58 1937.11 1812.54 1845.12 1937.86 1943.02 1844.72 1875.07 PA(20:3(8Z,11Z,14Z)/15:0) 1286.79 412.12 631.56 40438.85 32570.7 17107 24230.68 2166.96 1003.98 755.8 183.52 2858.79 3568.89 1171.63 1703.38 825.82 1177.46 808.25 1499.55 345.14 1125.29 459.2 566.34 218.08 954.64 530.09 154.18 217.09 1069.01 746.97 640.89 2213.3 1257.05 270.03 256.9 1659.92 771.18 290.82 164.46 153.28 25888.93 405.18 212.15 502.79 178.19 11405.87 1804.97 1196.76 967.51 1625.19 1108.3 304.22 369.29 256.06 3338.1 911.83 562.47 463.62 241.91 3384.75 181.56 1071 800.15 966.17 523.85 3169.1 213.14 893.11 1096.71 1813.21 1016.17 441.8 164.61 1273.2 585.48 3559.6 3558.02 1881.11 3381.54 3445.81 3382.33 3374.35 3543.59 3561.8 3,4,5-trihydroxy-6-{[(16R)-5,7,11-trihydroxy-8,8,10,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-12-yl]methoxy}oxane-2-carboxylic acid 7855.61 2429.44 555.46 714.4 12525.95 7252.93 4749.49 17195.09 9310.94 11356.82 9384.83 25438.46 15915.29 14661.43 4175.72 10581.66 8365.28 13332.55 27220.34 5302.71 10878.09 981.41 4979.82 1304.42 5623.76 2069.45 3363.81 12680.7 11149 18978.13 6610.2 14233.16 2079.2 662.72 584.22 8686.75 6388.64 613.92 10994.03 3608.33 22743.13 16754.56 2460.96 3691.94 30470.61 21982.11 14473.87 11867 9377.46 19153.88 7443.98 2453.35 2534.56 5817.13 4267.37 2992.49 2170.64 510.22 10127.39 1639.28 5042.13 614.2 2886.67 1260.93 2302.16 7842.15 9838.86 20629.66 18343.83 6591.83 9167.56 11992.09 16967.43 2906.26 10974.64 16027.43 16181.05 16649.41 16898.87 16533.3 16921 18011.48 16907.64 13117.56 Lolicine A 6719.86 3196.9 2807.34 1400.1 2287.55 5559.12 1466.68 10117.9 10527.72 9576.34 5643.04 11075.44 3906.43 5838.74 4874.61 6880.5 4318.05 2094.27 9625.69 6752.16 7181.29 3232.46 2608.36 2362.34 5858.07 2476.93 2193.66 4782.5 10867.02 11844.38 7134.59 10624.56 4046.37 1329.01 2643.41 6823.65 4309.49 1618.79 2258.62 2608.6 9350.8 10743.8 3037.13 4283.1 6753.85 2701.55 11019.9 4633.95 8002.68 7588.15 7864.76 1780.4 2848.76 6748.25 5869.54 733.69 533.53 2094.56 6429.53 2963.51 3846.75 2370.37 3521.8 1930.79 7849.6 6924.41 5031.19 10823.8 8471.3 8032.82 5307.99 7204.75 8260.15 4701.31 6356.03 7286.53 6862.93 7068.38 7269.88 7287.43 7072.55 7054.8 7359.09 7596.62 N-(5-phospho-beta-D-ribosyl)anthranilic acid 2205.15 1691.13 2015.51 2029.28 1460.31 435.49 1299.31 2058.63 1738.65 751.94 1037.14 1372.13 1155.35 801.66 1851.97 1795.94 1431.78 1806.19 824.02 581.08 3601.99 1980.34 783.72 530.87 1110.15 1007.19 720.39 1145.15 1086.03 623.51 693.17 1214.46 741.24 1288.68 864.08 817.33 831.97 483.46 930.33 1192.89 559.89 946.78 839.16 639.09 614.16 1278.48 957.91 779.6 787.55 1133.44 1643.97 1567.46 1239.96 976.99 1003.23 402.75 1188.04 1188.25 1116.39 1020.21 1219.93 920.98 889.64 894.67 993.93 807.6 1418.36 898.87 747.98 2792.13 750.09 706.52 1458.55 3328.93 1305.18 1507.4 1492.4 913.9 1482.94 1478.37 1483.27 1330.95 1308.47 1535 3-Deoxo-4b-deoxypaxilline 1589.56 6773.46 9146.62 9612.44 7311.9 11111.43 926.65 555.96 947.1 4217.69 1245.08 8281.01 12537.17 11563.26 4204.49 15603 5794.61 13181.34 21142.35 6667.99 3593.08 17183.83 11086.15 1517.7 1035.25 2184.04 2673.05 807.43 7192.71 1704.05 5210.88 11537.35 2199.48 4557.69 2072.82 3531.44 757.6 1075.12 1713.79 1703.03 7086.05 2667 5727.12 6356.07 13024.83 16211.09 5940.1 3715.16 824.32 11140.8 547.22 13149 7443.63 8520.97 3458.77 9651.69 5104.08 7044.73 3288.24 17940.5 5526.27 10106.96 2976.76 4962.08 8343.07 3476.83 12909.92 3627.99 4448.36 1596.48 2812.78 2888.46 2908.15 7215.35 5007.25 7514.39 7653.16 7566.28 7460.42 7693.8 7456.57 7496.71 7090.12 7662.89 (R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethylene diicosanoate 201133.83 131054.82 27252.65 155471.35 25648.14 66077.1 60101.96 132554.9 121355.41 213302.72 197147.87 135845.19 18631.29 185404.79 254998.77 82357.07 12467.26 153371.38 148455.31 136058.79 50829.44 88521.34 37846.12 9052.16 64339.9 670.37 57753.52 81188.96 2494.3 120499.9 49411.21 19477.65 42202.77 52093.24 64721.48 58574.67 86100.96 14767.38 167009.98 68904.34 89043.33 72804.17 121578.86 272287.54 132671.95 117985.37 112379.17 83572.63 29707.64 70544 81135.81 87361.6 111291.16 100452.01 89602.93 119357.49 92072.21 5964.39 165246.93 203167 234132.35 21928.83 94221.8 72600.66 146544.4 149193.79 150757.76 2349.25 266448.97 37562.36 169713.37 259368.18 171827.14 142952.42 147712.47 109718.18 109046.56 108640.94 108598.52 110455.62 109623.42 109617.22 106894.63 113337.05 Apo-4'-lycopenal 1807.34 3908.56 3659.33 832.45 1494.42 2110.27 702.69 3732.58 3866.57 4090.76 4774.9 5476 2420.11 5046.8 1833.3 3552.91 2668.89 2111.16 4464.51 4503.59 2722.84 1957.23 5753.41 1986.22 2588.99 2028.72 2708.2 3635.98 2601.7 3214.18 2191.93 3493.44 2174.84 3958.81 8704.44 2057.3 9836.3 422.18 3598.24 3156.91 1749.11 2337.41 6840.32 4333.56 3859.38 2249.43 4097.14 5155.99 3874.01 4710.64 1718.24 2037.81 8252.22 3100.95 2791.84 2258.74 2743.88 6981.84 2932.77 2520.48 3639.75 5304.92 3123.12 2582.54 3087.95 3541.82 3909.23 3295.97 5107.16 3998.97 6969.37 3741.7 2810.39 4420.71 4238.84 4512.83 4570.55 5032.03 4482.96 4591.91 6101.64 5344.56 5060.46 4562.05 Desmethylcitalopram 5403.44 2378.17 404.19 2112.79 5518.16 1831.51 1862.69 3318.67 2809.45 1975.13 1282.87 5766.36 3632.84 2577.43 5641.69 4773.73 1710.47 17583.75 1629.04 7755.41 7674.2 2063.5 1589.37 3157.1 5696.75 3521.36 1387.29 1498.79 6969.96 1783.54 5487.59 2554.41 2369.47 1937.9 1042.73 5646.12 4608.59 901.33 4265.13 989.71 9026.14 11358.74 1298.99 5342.07 4297.88 1604.58 4823.2 1167.1 4097.21 3753.62 5215.79 4628.27 3176.93 4610.11 6566.81 904.8 1530.74 1603.42 4926.63 1653.67 2586.65 526.47 3157.32 2196.32 2223.94 8766.28 4839.17 2248.46 4312.74 6081.25 1459.13 1927.16 2566.52 1823.86 14354.88 4181.02 4103.55 4073.36 3405.67 3471.91 4369.3 4091.24 4228.11 3275.23 3A-Deolivosylpremithramycin B 9214.13 11492.63 6415.54 6247.29 24854.11 32761.17 27418.21 11102.03 24435.82 16604.81 25196.03 29494.95 17373.12 18201.28 21584.64 75212 45070.43 20377.55 56524.72 42733.57 11459.75 8030 9940.49 7568.53 9965.37 8612.71 12893.61 13328.14 17088.61 13931.41 11132.14 23012.22 8433.19 9342.1 7865.54 3437.99 11707.98 1785.65 9946.13 9152.88 18865.25 28406.42 19554.88 13372.91 18305.94 17500.98 14561.32 25462.37 12042.45 54108.23 11018.37 9367.55 14489.2 21844.03 15810.64 16582.34 5655.06 7713.21 14918.69 7247.01 12288.42 11191.65 11381.32 32691.02 29321.07 20851.22 31653.97 22435.95 24539.15 10606.86 23792.89 32115.56 22357.91 32713.93 33883.29 25108.84 29024.76 28611.39 28189 28127.23 28169.72 28962.85 29861.76 28124.02 PE-NMe(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 16028.41 13945.05 3017.6 12536.41 9003.46 23048.13 3325.86 19794.01 41306.46 7763.69 11728.88 7347.7 2176.48 5462.07 26545.56 6150.56 11002.76 42265.67 16437.11 41231.66 10446.54 2835.91 1475.17 1392.46 4955.33 8883.54 597.07 1523.33 7063.28 10546.68 8906.75 7654.5 9230 1456.33 2414.16 10095.19 12595.97 2469.87 6030.86 2441.83 30390.02 9533.11 5875.54 7096.93 42470.07 7247.42 24136.16 9136.84 2044.73 15434.28 4658.58 17700.95 6183.93 5719.47 15398.45 11817.58 2229.49 6103.61 28006.11 11388.79 4513.48 1115.34 10195.62 15926.14 20547.97 15158.86 20655.38 4367.74 13475.9 18193.14 37728.49 17329.72 16898.11 11954.78 6918.46 15737.4 15381.07 15384.59 15745.81 15369.35 16429.67 15755.84 15628.29 13828.17 Phosphoramide mustard 24001.64 23223.45 1785.53 1602.11 14813.81 24171.24 6910.43 12608.43 10890.63 23307.18 27416.11 15114.2 3330.27 10625.94 25213.62 19002.28 10820.53 29589.08 11711.24 20628.23 8532.82 5561.98 3078.1 7135.23 18994.4 25820.51 8870.34 16938.89 15274.64 914.49 2304 2286.01 19780.07 4658.65 7899.59 14598.71 25490.34 49864.77 7382.02 15181.68 5149.74 19179.65 9295.6 6831.86 19287.91 2392.6 18305.12 16913.97 23923.4 33504.44 26170.2 31388.87 9991.81 8737.31 4710.78 24917.03 909.12 3943.58 23150.11 11104.42 9058.75 8897.01 22338.49 5025.18 12755.86 22082.24 15782.08 8343.25 10099.96 11150.59 16770.16 8400.1 19151.93 13175.92 5688.21 20397.24 20344.76 12729.57 19480.9 14137.82 20993.45 17056.37 14902.79 26585.25 24020.49 19986.12 17684.01 24244.27 14158.37 22265.75 25289.77 18227.51 20348.6 15135.48 20074.08 16580.41 16671.18 21441.59 18805.99 17958.52 11831.82 11707.18 11636.21 11835.79 11830.38 11960.2 11705.78 11168.32 11831.45 3-Lauryl-4-(isovaleryl)sucrose 60171.29 14328.31 5472.7 5618.83 19501.82 7357.93 4442.26 20019.23 80033.42 94904.05 63866.17 103041.14 10978.73 48299.88 43503.91 12432.44 1850.9 45545.56 23002.72 4319.45 39912.19 883.48 31584.29 40239.1 20635.75 9902.43 20162.62 21460.28 13199.78 5693.89 14918.24 16791.9 9898.9 51251.48 21034.14 659.05 38660.68 1026.54 34916.2 13353.64 6951.76 15979.26 37258.58 85370.27 78038.13 11101.18 7019.39 3973.43 49593.5 35748.91 75451.88 65419.62 61730.88 46334.79 63101.93 33965.13 20676.7 32668.65 56731.15 12838.1 36871.15 48452.41 103403.17 53628.62 15837.62 77639.34 73709.46 49890.28 29508.75 39034.23 30041.31 85339.17 88831.54 14357.78 53278.46 34505.25 34655.78 33871.39 34373.67 36382.75 36291.72 35259.2 27747.35 36301.05 (1R,3S,5R,11S,12S,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,44S)-14-(3-chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one 5703.31 11480.29 9329.04 6522.57 9918.23 9594.8 2110.77 10759.6 10093.13 11111.45 12562.62 7191.45 7184.31 7983.21 32549.28 9712.53 9370.86 19486.95 12614.76 24970.7 13108.77 7791.53 6882.55 4593.88 3403.45 3022.35 3411.57 3646.32 19744.91 2205.17 9678.66 5680.13 8489.1 6850.46 9317.6 10581.52 14065.17 4048.63 6831.39 8328.22 12914.57 6493.66 9753.99 9530.14 15221.12 6166.07 19565.75 9115.6 5160.04 11282.27 5466.71 12636.21 7994.12 10947.61 10418.77 14539.43 12455.35 7552.46 9790.76 8380.84 11015.43 6743.33 15490.59 12655.24 8554.21 12333.45 17464.08 3825.62 11562.86 13829.02 11209.71 17321.06 4613.46 12377.47 18392.49 9980.69 10602.48 9180.41 10045.47 10628.68 10556.85 11694.27 10568.8 9880.64 (3S,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene 52294.23 73927.04 88961.18 43853.77 16535.96 29096.3 24047.74 41913.39 45620.7 61571.4 50827.14 51094.98 30581.08 55614.5 47565.27 31380.24 54561.57 49160.95 39067.39 42762.61 65270.12 94336.88 97572.92 102734.2 84957.66 107980.23 102930.98 99244.37 63418.83 85703.44 79431.43 53318.16 90630.95 100326.17 146372.75 77976.85 94256.2 141841.27 96735.23 123072.21 38097.63 53379.01 75504.37 71034.84 41691.5 43930.07 41541.15 61497.98 71050.81 41662.65 63773.04 84910.66 76737.83 70206.5 56339.37 73168.7 89047.17 148331.13 63565.38 67819.82 80258.9 68077.48 64802.34 60398.49 62853.41 46078.8 43212.6 17196.2 63302.53 45465.16 50138.13 57605.62 45569.12 47140.9 45160.93 40664.87 40758.34 40597.53 40739.96 40396.05 40718.28 40757.91 41156.61 40597.4 3-Oxododecanoic acid 4035.77 7631.5 2068.45 6452.5 8600.85 14958.07 10166.6 4024.26 2933.34 6212.09 3434.12 8922.58 4716.83 1578.56 12724.4 15798.01 9942.43 5471.58 19907.67 9071.57 2804.4 2075.06 6795.59 2744.45 3287.36 3347.67 3470.59 1740.4 12742.25 3314.9 3208.08 7792.38 5461.61 4544.09 3131.94 1358.62 2248 1703.06 3349.58 5984.18 4626.8 3338.06 8536.12 3463.79 28966.85 16195.46 9278.79 10329.58 6035.59 16040.32 2615.85 7750.85 10131.25 7906.53 4204.92 10444.63 2599.35 2167.88 3997.19 5036.09 8878.22 10463.76 8923.39 12037.73 9611.53 6816.79 9315.06 4752.43 9152.93 4946.37 4049.34 11708.02 18151.63 10230.03 12594.47 10035.6 9928.14 10119.18 9902.37 9932.82 10046.76 10375.46 9793.05 9933.46 5-Hydroxyconiferyl alcohol 1001.23 981.52 655.3 1410.51 568.29 2509.63 329.18 1004.04 513.74 381.26 1019.43 1264.81 1724.5 1967.98 802.78 1714.24 1330.29 2153.29 3289.83 831.7 721.66 784.26 816.48 418.11 488.63 616.16 466.91 670.55 349.84 529.97 667.98 2616.73 665.87 698.15 484.46 618.4 516.62 422.67 587.23 481.95 960.94 799.6 867.97 757.16 1003.86 2530.5 386.67 360.81 857.6 3491.66 342.36 361.21 944.33 805.58 816.68 425.63 608.17 1025.03 865.63 1634.5 804.33 604.75 894.98 366.34 1666.1 732.78 666.41 434.96 1621.08 1096.24 1041.54 1194.47 601.2 1334.64 1522.81 1277.29 1273.8 1015.06 1205.79 1201.31 1316.52 1276.01 1247.07 1160.87 Muzanzagenin 2218.96 1152.61 1072.45 7767.04 2347.67 3537.21 12224.37 997.09 547.78 1852.61 1854.09 1978.37 4928.73 1105.16 925.71 2466.79 1342.86 1034.72 3078.32 653.12 597.45 1067.85 2082.68 1204.67 236.95 461.97 1537.01 1353.19 1119.02 376.12 466.53 425.08 301.39 1207.3 829.13 516.54 977.77 418.76 1057.06 518.88 5747.02 670.66 2271.41 730.68 687.27 3524.43 357.57 2260.42 1547.21 1761.04 4343.45 3142.86 1875.3 1123.69 953.77 804.78 833.89 692.71 315.34 4742.78 937.77 3741.38 2108.36 731.16 1086.53 484.88 999.31 1551.94 1059.66 736.23 615.85 1322.33 2957.4 557.83 2656.54 3512.48 3782.09 4306.01 3548.65 3973.25 3561.45 3224.36 3809.46 3730.53 Bis(5-hydroxynoracronycine) 24511.63 37501.32 4974.13 10332.41 38214.4 58788.75 11782.48 25422.93 34398.71 16198.97 14880.52 12111.83 6044.54 7976.44 75516.31 15572.11 27596.03 51785.45 89410.63 128233.74 19981.37 19128.42 9497.26 4245.25 13659.46 10454.16 5848.16 12444.87 37212.63 6993.66 13323.73 5839.31 25999.23 8133.22 6842 5878.38 9881 508.8 9457 10684.22 36406.97 19352.66 32553.28 9430.69 29212.75 13886.23 134934.57 53111.59 17243.63 22086.53 7117.33 41156.45 23703.76 15686.87 33742.58 43758.97 3850.21 3604.25 44510.72 10733.02 6843.52 17248.76 33555.76 33835.22 46559.5 15732.38 61214.4 9607.86 9811.16 29497.59 59462.38 18421.81 47008.59 50322.41 28845.86 49910.05 46571.76 45900.1 46335.08 46202.34 45881.71 45871.22 42674.35 48733.79 (4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one 1685.28 2725.58 1916.71 3358.94 3671.71 4445.74 1120.35 2915.1 2030.1 781.19 2262.63 3794.6 6421.74 4428.54 2500.21 3353.4 3562.09 5679.45 5502.67 7552.87 1056.86 634.28 2843.16 2414.6 393.07 633 904.25 1351.52 2178.67 2426.18 2833.35 4392.74 664.61 3018 1335.17 2641.09 843.43 628.55 2525.26 1066.45 3802.6 1930.99 1977.67 2542.03 4624.73 2687.25 3031.24 1280.26 1573.83 7825.31 2707.81 2362.44 3540.55 2734.49 2207.37 2834.82 1864.57 1905.05 3116.82 3186.1 3023.32 1958.69 2184.54 1895.91 1692.71 3145.02 4306.7 2915.96 1749.08 3406.14 1376.32 2771.05 1569.82 4701.26 4466.26 3544.93 3478.89 3489.73 3459.78 3291.33 3638.92 3315.39 3288.94 3255.87 N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate 5248.82 2445.36 3964.62 3650.89 28005.48 2490.79 2818.45 19643.45 7085.41 7573.83 1269.14 5126.76 9273.48 4455.54 2935.48 12634.09 10469.36 5519.51 11787.57 4223.51 13737.12 3594.52 11624.84 4257.75 9300.86 3455.67 1935.22 2853.91 7171.89 5527.33 3491.58 7989.85 4572.45 6128.28 876.52 10732.92 6593.08 485.36 1829.67 1531.74 10527.45 13240.57 5388.4 2789 12407.46 6247.59 2507.73 2249.79 13623.96 14068.41 16212.82 3404.09 15753.33 6415.68 14072.87 1835.5 4457.35 1222.54 14078.08 870.88 10808.89 12841.31 3958.43 15374.32 9773.13 5858.96 1296.21 5159.15 1317.59 13459.34 2074.18 2124.56 7063.6 4789.48 10284.26 8855.64 8979.78 8915.86 9001.94 8744.96 8335.73 9033.23 8710.12 8995.88 3-Hydroxyundecanoyl carnitine 1537.6 2008.74 1787.93 11468.82 44778.41 15861.36 17387.42 2432.99 406.25 1160.85 1141.18 2688.8 7755.68 1594.97 1907.51 6431.51 1413.72 1266.33 1544.63 352.29 2444.61 2070.78 1335.3 2826.97 2053.05 322.76 371.05 744.77 2341.47 699.07 1222.88 2746.52 436.54 256.82 627.94 1523.61 1803.16 505.45 804.35 1178.98 11909.8 5248.89 2186.02 2078.79 2752.13 5997.06 1992.07 1457.14 224.37 1433.66 1144.55 1744.18 982.84 1564.18 8494.36 2897.28 1982.69 1530.11 2023.84 3098.11 3738.36 2576.92 2078.46 1876.63 1351.87 11500.7 1643.8 1570.74 4978.8 1667.58 228.59 1267.37 2164.09 3993.35 1446.06 4702.34 4700.78 4659.02 4639.56 4657.93 4722.98 4702.29 4656.34 4655.84 PE-NMe(16:0/24:0) 56442.49 19774.58 15248.75 11963.93 17492.04 6653.92 12033.25 17785.07 30700.48 46414.61 26365.68 24149.17 22646.38 33816.02 68042.83 27990.15 36262.44 5689.35 36253.57 17478.73 42483.82 18634.91 20270.69 13109.25 22913.36 13765.41 16156.75 12307.47 52270.23 9017.35 17738.48 28593.85 44122.24 20877.95 19211.69 28832.58 28093.45 3427.22 30743.02 7340.05 7482.99 118296.19 40590.95 18433.94 10326.57 10268.82 21950.53 22123.59 18400.79 27423.45 25855.65 36443.31 4222.57 15953.07 42627.83 30850.13 14798.66 8560.72 40538.6 14631.93 33070.27 19389.74 30275.01 16839.65 25209.24 40430.14 26088.07 40379.04 18256.43 44191.14 24345.92 35585.49 37657.64 24586.96 26712.43 34433.93 29006.32 34355.26 33036.53 34354.98 33082.34 34499.26 36156.36 32897.51 N-Acetyl-leu-leu-tyr 16920.26 9288.35 6247.54 5702.02 11343.43 23650.69 5326.62 25164.79 12015.95 22977.24 14393.08 16563.84 12645.38 26351.13 33668.95 13200.08 7582.58 49808.43 38128.13 23182.48 17932.9 23771.85 16948.24 9218.34 13474.28 7256.75 2220.94 7591.71 18212.7 11003.32 8852.93 33819.26 26902.9 10065.01 4342.94 20182.8 23693.14 2570.06 10704.46 2808.17 14244.41 24058.16 21367.45 20084.12 27377.99 8557.93 16589.58 17724.69 21144.95 18641.4 22288.07 34730.66 16903.69 4507.68 23201.47 24210.48 3866.53 9769.88 43457.04 11138.88 14325.58 15586.73 29634.54 26968.27 23137.82 14301.06 12626.26 9077.34 8942.53 27003.01 11621.02 23046.09 28243.41 9837.68 5920.63 21814.75 21923.65 22096.91 21872.74 21882.9 21804.37 22095.78 21978.29 20962.05 TRIBUTYL PHOSPHATE 4040.04 5535.51 3977.1 36247.79 4995.74 18982.23 86101.89 7832.73 4392.98 8003.81 6064.15 18682.68 224740.95 5853.57 12482.13 36107.59 6291.51 9648.23 9492.02 9215.33 2594.36 2002.44 3742.82 3924.77 4507.63 2887.45 2167.49 5103.17 3876.21 15392.92 2805.2 6399.5 3931.9 35459.45 4573.06 3197.8 4751.51 2107.31 5988.28 5245.14 11342.05 13708.46 4736.61 10104.64 7899.78 197526.61 8072.57 5334.63 3864.77 86916.34 8546.27 6871.4 3422.47 9283.68 6223.96 4966.84 4222.74 5620.04 7667.66 11973.9 9234.24 5793.7 8200.38 9906.37 9223.69 11674.23 6833.72 4036.27 7289.03 7270.94 6358.4 10762.36 5949.73 19948.53 24179.3 14480.23 14665.29 14659.16 14653.64 14533.84 14479.56 14529.75 14108.75 14659.94 Patientoside A 11331.6 9634.76 3800.09 32941.53 25875.34 4822.9 43884.09 23950.93 12757.8 10831.3 54150.74 74520.59 62139.81 52641.24 13487.76 65663.1 43701.66 22395.24 68306.29 25667.13 27379.47 5083.9 33486.64 33111.72 22469.52 11985.21 17523.92 28424.32 17372.8 33121.91 24155.19 64988.07 7916.8 30662.45 22249.67 18785.52 14225.34 1374.19 43846.24 21574.54 46316.57 38764.03 55097.03 30175.2 17413 53857.07 1817.47 54822.54 37702.4 91935.66 23132.75 12065.39 109625.86 64435.15 21486.12 15809.11 33335.81 29091.84 12001.58 4300 40045.61 99556.92 15358.95 10985.43 35609.1 9959.65 27652.46 153041.93 61193.64 20678.96 17867.94 20705.69 49606.58 44767.49 64741.35 38003.88 40544.82 37981.48 38547.44 37685.38 37714.44 39526.83 39438.08 34003.9 L-cis-Cyclo(aspartylphenylalanyl) 4242.48 2566.11 8902.09 11514.49 10852.73 9537.08 4272 10159.79 4109.2 10112.31 7215.48 9028.63 5518.13 7050.05 23966.24 5202.01 5211.73 10749.18 10844.25 7268.88 2559.25 4574.73 4609.98 5358.39 4768.05 1565.23 1323.7 3174.18 10199.47 3056.23 2060.06 3578.15 5065.37 4747.74 4754.83 4277.71 7855.06 1412.33 5743.6 6099.64 2768.83 4232.88 9329.07 5273.56 5784.86 10759.2 8572.09 2239.23 6388.43 6888 8283.4 3879.09 10939.01 12549.72 8718.51 5804.15 12351.77 12821.35 9276.34 2767.76 8178.37 5687.87 10328 14211.99 19628.81 10509.36 4083.59 11776.64 4925.01 13538.35 6813.26 8085.77 5721.85 6898.2 8798.15 8230.96 8053.61 8130.85 8378.46 8050.79 8217.01 8158.93 7764.67 8988.62 1-Caffeoyl-beta-D-glucose 111657.09 87419.12 30788.41 15924.41 98871.48 42259.81 10048.83 172112.31 197507.46 105329.48 130308.35 224241.71 54274.98 92054.57 163581.13 132508.7 83940.99 173606.33 160671 236594.38 103088.69 7031.88 43384.31 59172.6 93170.55 52285.86 37013.86 63315.4 115906.76 48506.5 103999.67 87897.85 67784.54 33223.11 56557.53 90259.22 105924.7 15485.11 73232.38 42577.9 156786.34 161058.34 81040.82 82668.33 191574.68 39428.38 190823.38 84863.34 76319.46 150892.48 79360.3 113876.98 79242.98 92458.9 110826.45 85385.27 26514.88 33161.53 147878.12 25529.75 119029.46 53752.14 102816.21 101932.58 109655.17 169462.84 191884.78 98310.08 109592.55 149131.25 146659.98 111655.55 112722.5 74076.3 79403.39 8278.38 7280.8 7769.05 7541.71 7008.42 8951.83 8501.53 7928.9 8836.15 8670.54 8927.27 9663.38 8020.26 7836.18 6819.26 5668.24 8588.69 9226.53 6398.37 8360.25 10871.29 9189.94 7737.26 9595.67 8480.2 101425.17 101784.83 102394.3 101874.92 102383.06 102637.5 101980.48 99395.93 102160.86 trans-Zeatin riboside triphosphate 12607.31 13069.87 17774.23 19220.73 16131.12 9976.39 17225.12 23953.65 23693.59 16317.67 7327.22 31798.7 15407.09 18716.17 16929.67 16529.33 15329.64 31871.12 24743.16 21603.78 15110.27 20681.42 21452.87 17279.76 25378.4 6699.32 10311.38 14279.27 18788.47 28030.28 9757.64 37947.11 13479.9 19569.77 18898.8 30238.34 13396.27 2701.48 17962.23 12401.46 29228.49 11900.49 18956.94 19338.17 16912.54 26869.33 19656.73 29204.14 7250.93 10933.68 8721.93 11124.04 19756.98 18384.73 22170.66 10536.07 27742.41 33051.25 13579.9 18632.02 11405.63 20174.26 20879.21 21891.92 16435.65 15121.62 11094.01 19235.96 19814.52 19188.52 13049.13 19587.66 8512.7 18199.4 14173.12 14742.8 14521.93 15488.79 14694.01 14231.97 14839.4 14459.89 10937.58 14097.11 6-[3,5-Dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 5676.6 4990.02 3875.99 3471.2 9564.87 1910.41 1969.71 16795.56 2672.54 1211.07 6711.45 773.14 3276.36 3083.12 11129.44 6990.1 812.14 4873.4 459.37 37829.16 2272.6 937.54 1110.31 3023.82 8057.59 4557.18 2183.1 1671.98 13847.71 614.5 6161.6 3637.03 10120.16 2626.51 5006.91 4436.67 10238.22 879.19 3976.44 3861.33 9389.37 7818.2 5883.74 552.94 1132.21 3831.7 5900.58 4473.93 3390.74 2107.24 11556.52 7044.82 4763.39 6909.36 8040.72 1392.82 3229.32 8065.79 7455.98 1432.24 2226.17 1732.06 8879.35 19044.83 3729.35 1074.88 1782.18 3817.81 942.29 17124.29 31454.1 792.16 15201.63 15619.04 2086.83 6921.89 6501.46 7050.2 6919.87 6792.91 6694.54 6519.18 6828.49 5680.37 Farnesyl phosphate 5731.59 3440.85 753.6 3104.76 1437.66 2411.99 917.02 8660.43 7695.58 6866.4 5069.47 10411.13 11587.96 8128.07 4293.63 2042.01 4219.04 8897.33 4039.61 13752.13 1819.78 2283.82 1106.16 729.84 5017.78 2121.61 2601.37 1573.69 5866.59 1974.66 1121.26 4423.93 2500.05 3025.65 1075.23 3106.71 1447.09 868.66 817.87 1291.63 7936.54 4746.55 1208.53 1408.56 17514.88 13073.8 2438.69 3097.26 1077.35 1176.48 1639.68 2501.83 4485.33 892.86 6278.98 7403.26 1255.79 3606.83 5065.76 1298.57 2781.35 5819 693.7 2077.98 2047.15 9446.79 6923.59 7908.26 7527.86 6654.45 4634.07 2387.06 3930.73 1197.68 1585.12 4365.81 4924.97 5264.98 4325.32 4342.64 4660.23 4319.78 4594.67 3856.77 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene 3179.57 6361.12 11946.81 23355.42 1836.07 4545.3 9627.4 2223.68 1639.4 2118.35 710.05 712.85 5219.99 5073.85 2012.75 6709.88 13110.36 1123.1 3098.05 3765 19469.68 1781.51 4039.65 2370.1 1177.97 644.39 851.51 2587.31 1344.64 2249.48 787.88 675.13 2138.93 4272.76 3828.44 2680.69 4343.64 1821.89 6129.63 529.57 1102.8 574.12 5598.71 11424 5064.78 1303.86 2679.33 618.87 1826.72 2243.51 1470.39 9436.7 5076.25 4535.46 9106.68 4849.18 16137.99 8335.36 2135.36 3781.16 6740.84 7218.95 14243.34 419.05 3073.25 935.83 6652.26 5009.76 5616.53 1674.71 3408.47 5520.87 1030.5 5001.33 8399.99 3979.49 4518.72 4235.02 4480.32 4090.8 4132.5 3726.49 4022.41 5696.2 3-Hydroxy-5Z-octenyl acetate 1115.96 1588.18 2165.25 5447.01 1393.07 1921.42 4997.32 2910.09 2122.42 1139.38 2946.03 1462.71 6663 4273.07 1684.35 17472.52 2888.92 2376.93 6366.23 2018.83 1527.52 545.43 3985.1 1225.45 1040.93 773.5 830.47 1454.61 1518.8 637.57 705.59 8063.23 1326.78 1258.32 1642.18 1207.85 1113.27 664.23 1934.57 652.26 1629.81 1277.87 2681.01 2805.26 1495.21 3912.95 1752.39 1001.68 2788.62 3928.82 1438.36 2765.17 2185.96 3047.81 1356.97 4528.62 2392.02 1865.46 1441.62 4614.34 5248.3 7030.27 1961.05 3412.93 2386.43 3073.28 3429.76 2239.99 2027.4 1217.7 1465.12 3872.75 1569.36 2624.49 5150.64 2984.82 2878.3 2061.57 2962.01 2788.91 2954.13 3039.7 2836.13 2718.83 1-Palmitoyl-2-vernoloyl-phosphatidylcholine 1937.02 4352.08 3525.48 1304.41 3174.45 3418.39 8222.76 7439.64 6963.38 12271.81 6747.72 8008.5 7993.85 8182.02 5908.01 11602.8 16258.47 8831.74 9390.04 7686.18 10299.09 9326.09 6900.37 4032.93 7330.68 4373.48 4674.98 3671.97 9315.12 4909.21 2443.72 7113.02 6592.98 1026.36 6786.22 4079.25 3667.55 3590.12 3852.99 3950.67 1951.58 3608.19 5193.2 4689.13 3799.03 5589.67 8750.09 7644.83 8277.43 5443.93 9440.77 6383.86 2142.16 5087.58 5987.23 4995.58 4282.32 7703.92 7123.49 9827.76 9529.31 7102.82 9619.74 5722.69 6474.66 7814.02 16012.6 14314.45 12426.34 10269.35 9899.1 11036.7 5488.01 1853.34 7675.06 11522.88 12116.98 12421.77 12061.78 11703.47 12064.27 11762.72 11414.07 11422.19 Myricetin 3-(6-acetylgalactoside) 10546.26 2619.3 799.9 1852.88 748.51 649.72 994.56 9013 9285.41 2868.78 551.89 4511.67 823.09 607.57 8069.79 3697.67 2373.21 4831.08 499.99 14941.49 10917.07 1109.14 774.58 1454.94 11381.43 4935.03 1304.67 3575.85 11601.41 11509.08 14062.89 4710.93 3562.85 675.91 995.5 10123.27 8435.35 1692.48 439.92 2425.05 7453.6 10742.05 1011.86 1910.05 6517.63 1207.43 12151.51 2373.67 577.25 5818.54 2967.03 1538.71 889.59 749.5 6095.68 1530.98 1679.61 781.66 3720.36 1127.24 1316.09 1528.61 1251.81 1944.29 2636.22 6755.96 2337.69 3399.39 6168.14 8056.95 10691.75 5311.16 3265.24 1311.74 1246.2 3154.3 3151.84 2953.62 3016.82 3154.23 2955.05 3152.38 3193.29 2286.66 PA(20:4(5Z,8Z,11Z,14Z)/15:0) 1781.62 1112.82 722.28 624.9 4782.41 361.06 3667.09 3395.47 4131.09 593.15 192.76 2347.85 1434.13 6209.25 586.72 1194.03 1265.26 364.51 2390.35 196.46 387.73 635.34 575.13 271.41 357.83 229.47 1055.95 432.13 343.96 292.78 1662.96 283.99 252.86 682.99 837.14 724.82 1434.77 267.24 325.57 267.43 4770.63 2298.11 1233.3 1350.88 390.11 417.51 1937.36 1965.98 2310.42 1587.66 546.75 1253.96 474.51 1014.39 511.92 1661.31 292.42 1462.35 331.07 942.56 1695.74 164.37 2611.41 938.98 1207.08 465.58 1223.14 323.19 1238.79 1570.73 2091.49 2700.34 189.63 168.97 1821.96 3226.44 3772.46 3603.72 3345 3742.38 2579.65 3665.22 1846.02 2706.41 Norbuprenorphine 3047.13 7373.93 6193.25 9406.7 12800.69 22856.3 6931.24 3386.43 2308.88 16179.53 3883.67 5124.9 7022.36 4962.82 11552.53 3556.54 4674.39 11118.66 2698.45 5888.1 959.7 2272.68 6589.47 3383.74 2891.75 1245.06 2590.92 1842.48 6496.22 1506.22 1020.23 3222.22 716.48 11178.82 4318.85 2394.87 4964.77 1724.18 1362.02 1653.63 3614.36 1712.09 4202.94 4676.65 1054.42 4470.57 1329.73 2581.44 3543.86 5064.46 426.88 13094.3 7133.25 8794.31 9155.56 9593.24 7378.92 7954.74 6973.2 10309.35 5907.7 14840.66 8922.52 7304.84 2582.67 6013.63 4662.36 7494.93 1787.51 6827.86 2566.62 14925.73 2852.49 9214.59 5531 9205.75 9710.64 9208.47 9207.55 9207.25 9210.63 9313.75 9198.02 9380.13 PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) 166.16 2313.94 5047.59 7483.44 952.07 874.6 197.23 134.66 1639.4 140.78 1761.75 3459.4 535.81 1310.83 2056.81 3398.14 5190.65 2281.38 1525.59 2202.32 360.71 3033.84 3378.67 1635.38 1522.8 176.84 912.22 711.25 3822.06 647.44 598.89 1262.89 315.59 334.1 161.39 317.72 277.5 174.71 1374.68 233.69 153.57 806.12 946.21 1623.19 5463.03 3999.31 939.01 1221.11 492.1 675.8 447.61 1079.99 1425.82 1103.77 1577.38 475.84 2066.34 590.1 1042.57 1234.55 3958.9 689.95 440.49 582.15 494.6 2821.77 278.08 1753.13 3565.62 876.6 179.9 2526.13 1618.61 839.09 255.88 4932.49 5332.23 5232.21 5656.01 5044.64 5387.23 5439.45 5092.54 5056.38 [(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] 22-methyltricosanoate 796.59 2664.87 1085.67 4311.43 7033.06 4473.63 6993.02 941 1155.6 3805.59 1409.76 2839.29 4674.96 1002.1 925.17 1009.05 1639.85 1039.07 859.22 766.83 1384.53 1109.93 4265.47 2417.06 2236.34 1454.75 3360.17 2635.53 992.65 1632.78 1146.83 445.05 488.34 1598.2 959.79 4925.49 338.34 366.7 1235.74 2508.04 4219.2 2840.9 976.45 1331.23 268.12 6806.88 570.66 1815.08 1249.39 1116.94 3338.23 327.95 1118.39 1251.18 4458.15 1042.18 422.46 721.78 1541.22 1294.84 393.82 1560.19 1411.8 871.96 849.5 3966.87 1518.38 2710.59 802.56 572.24 1801.71 1555.4 813.14 711.42 2452.8 2884.45 2885.53 2731.27 2786.93 2791.25 2877.69 2735.34 2181.87 2870.99 PA(18:4(6Z,9Z,12Z,15Z)/14:0) 1706.56 726.7 601.78 5434.24 5294.94 16365.51 8759.71 2205.05 1672.57 1126.9 1070.56 3959.71 8417.74 1415.04 950.69 5973.14 4282.17 931.98 2134.94 1011.86 649.11 520.43 412.43 365.54 270.34 621.5 398.23 307.78 1011.49 307.72 317.42 1216.98 448.02 295.3 595.81 963.19 232.29 362.86 775.08 898.62 6592.99 2470.6 1107.33 1021.02 839.14 8713.9 1616.61 1150.63 843.37 2770.98 1550.47 579.92 327.42 2216.92 2508.29 1208.68 1109.99 544.64 919.4 2622.29 1440.8 1532.68 495.41 1356.92 884.8 2497.87 3070.37 971.42 1329.74 1649.35 1200.09 1539.36 515.54 2027.35 3018.31 4296.94 4064.97 4305.98 4408.19 4290.01 4283.15 4155.73 4253.67 4266.86 6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol 1463.71 5375.69 1192.99 1417.66 9779.65 1295.65 3936.99 2347.8 698.95 418.76 673.4 912.18 395.15 1564.84 20652.42 9106.39 11927.03 19988.41 3439.38 19775.14 679.33 2795.14 1657.09 1280.95 3099 1252.06 1404.47 1225.96 4041.74 1872.56 1701.69 2173.47 4769.22 758.87 661.88 1875.7 5545.25 359.36 326.01 2066.36 1397.53 2709.87 2088.8 1472.85 2014.78 1040.62 10208.83 4058.62 2939.56 5694.61 1238.71 1736.63 295.21 986.35 3471.79 8283.51 1249.14 722.96 13659.89 5535.52 2126.21 1560.13 8098.76 3586.33 11520.75 2244.96 8250.56 707.95 2984.98 10525.05 13931.85 2729.08 5240.59 5355.29 4146.58 4576.5 4928.12 4486.71 3073.64 4544.62 4503.27 4585.48 4691.36 4701.65 3-Dehydro-2-deoxyecdysone 1764.97 2635.41 1019.31 2239.11 8071.97 780.71 12648.98 4422.95 3577.55 2687.49 2351.94 3436.35 3526.93 1503.1 8164.44 3050.52 2958.12 7042.68 4467.11 718.23 4890.78 1997.08 1156.78 2776.92 3010.04 814.99 2131.02 796.43 3016.09 1015.14 2870.84 2615.84 733.76 1250.89 1102.05 3133.48 3212.43 1262.5 1974.74 1633.02 6690.56 6548.1 2744.74 2239.73 4261.06 3507.17 5552.7 2424.18 2332.07 3756.08 2675.53 2531.34 845.1 1249.11 5392.73 2977.08 963.83 1229.13 3094.66 670.14 1589.08 1076.88 2237.27 808.94 1972.81 4984.55 4346.54 1501.23 4682.27 4703.62 648.56 4835.85 1240.11 1609.35 1542.95 2100.84 2108.22 1987.8 2257.65 1685.45 2122.18 2071.28 2226.5 1518.87 1-Palmitoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine 1392.84 2305.45 957.1 2460.6 3696.3 2852.84 2552.4 4778.08 8832.96 1177.55 2527.3 7409.08 3217.8 2011.69 4599.11 2981.13 1645.56 3230.78 4371.1 6629.75 7290.02 3570.62 914.56 1193.18 3844.79 2542.23 1229.44 1886.12 2530.51 1451.25 6149.68 612.23 2630.12 677.17 994.17 7315.91 724.68 2729.7 1665.2 1293.14 808.58 638.56 688.62 914.32 8828.5 1615.16 8548.67 6530.47 1014.27 2117.6 1194.52 2471.26 1995.79 1390.09 6057.32 5161.07 3315.49 2137.42 5933.08 3604.29 2017.44 2099.65 6104.61 1280.85 1528.09 2513.8 3768.47 1065.55 3079.66 8542.24 4627.2 1627.15 2698.65 879.19 1036.17 1974.74 1917.51 2362.32 2087.76 2002.52 2048.94 1722.07 2089.41 1944.04 Stemmadenine 55342.48 17581.49 2263.36 6678.21 43099.92 94485.68 20482.55 44734.06 43816.08 20652.75 19680.53 39613.1 61392.79 29622.24 33786.62 25800.2 2823.93 48333.29 65695.85 79622.42 14245.29 13070.71 4727.56 4055.44 8129.47 21608.37 876.66 5242.47 1821.13 9279.65 48067.5 32910.78 10832.52 3278.84 4944.33 6789.8 9236.16 1701.56 7971.39 2140.09 44694.46 40533.35 9530.35 18064.11 56436.17 43193.03 32320.74 21503.34 24549.58 110462.98 26491.19 37386.79 11966.99 21687.4 23349.85 29339.01 3236.07 8519.6 23770.52 19007.42 3103.46 2780.93 20076.63 4983.5 18694.75 43395.64 83407.77 15978.85 10989.95 22063.72 41903.45 10975.83 21888.86 34945.03 23484.28 40631.86 41208.19 41228.36 41219.03 39857.23 39920.26 41212.31 39918.63 40839.52 [(1S,3S,5S,8S,10S)-10,14-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate 3973.73 2331.15 2794.77 3557.72 4512.62 49688.42 11417.83 5047.44 4078.62 2790.9 3311.5 5847.04 5430.55 3394.26 1212.6 4262.2 3218.51 4764.22 6723.94 7544.32 3684.7 49016.47 4374.51 3997.2 2009.29 12994.19 1658.48 2312.02 6014.31 3932.36 5826.35 6599.54 3631.27 8654.7 2694.53 3499.77 2434.61 2245.71 2423.84 1534.22 7534.09 6858.93 2341.39 3236.71 5653.76 6227.36 3386.66 2658.15 3042.29 10418.23 3012.71 2858.08 3923.72 15252.73 17933.78 2920.95 3130.8 3149.14 4987.46 3568.37 2264.32 3283.97 3109.86 2587.14 2257.54 6721.16 6329.73 3980.31 3589.55 4431.07 3032.39 4199.82 3454.25 20609.77 2836.81 9635.12 9861.24 9652.53 9645.9 9838.82 9852.33 9787.05 9500.07 9830.53 14-Hydroxyclarithromycin 4723.65 2992.72 951.36 3806.09 12507.02 6751.38 6573.93 7515.55 3650.74 1601.74 1624.58 10938.48 8440.9 1347.11 13245.69 7111.51 2473.01 5073.98 9526.87 7226.37 5555.9 4584.78 2703.74 1012.87 6478.91 3038.02 421.27 574.61 6573.34 2513.37 2273.67 914.76 9642.86 312.26 853.92 5613.29 3886.6 949.97 484.01 1352.29 11449.89 11891.4 3683.93 2399.58 14290.61 3345.02 12328.34 13596.23 2857.5 4708.09 3792.46 5053.29 2705.6 862.82 15134.55 6278.47 2428.55 526.27 13003.34 4022.63 2469.35 832.21 5534.36 902 1861.04 4486.16 14000.09 1909.8 479.89 14450.47 4133.22 2429.14 2748.56 4258.76 1880.69 4377.44 5444.53 4365.54 4866.93 6706.88 4907.03 5561.28 4715.64 5593.33 methyl (1S,2R,3S,4R,5R,6S,8R,11R,12R,15S,16S,22R,23R,24S)-3,4,23,24-tetraacetyloxy-22-(1-acetyloxyethyl)-11-hydroxy-2,5,15-trimethyl-9-methylidene-19-oxo-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate 10201.66 18756.05 45572.13 11628.82 14102.07 8756.41 22495.67 12479.31 4315.31 45439.74 50080.8 9186.62 8974.01 27270.31 31276.39 31881.68 132339.85 3852.8 15453.13 6768.86 30133.17 38809.95 2040.99 1584.38 3999.62 21207.64 10340.89 21518.68 7888.6 4858.19 10830.34 6198.1 77227.43 13783.65 11108.96 14797.94 8351.09 18806.96 11530.77 7433.5 23869.36 53154.18 19399.2 53197.41 14503.74 29849.36 17002.26 5341.51 13324.65 31767.65 22801.24 28270.82 27069.11 6649.35 7782.46 32029.31 45643.61 3731.73 35756.38 10298.43 20072.74 7833.19 28623.02 4377.49 22984.37 38387.32 26716.64 26851.28 41161.97 9972.28 11935.83 42240.89 14079.63 20462.18 6463.33 31409.32 30295.55 29811.36 30238.81 29399.89 28501.6 29387.05 29574.8 29481.96 2,4-Dimethylphenol 4667.96 4820.42 2209.78 2639.7 4208.16 6174.49 5190.48 7517.74 2524.43 9855.47 2921.87 4422.76 6428.28 5353.73 6520.57 4891.81 3869.61 7621.16 9388.09 1452.36 1392.07 1929.88 2877.26 1411.5 4513.45 2876.44 5114.59 5072.54 5478.9 1759.15 884.36 3701.05 3504.74 2175.21 1447.6 6563.77 2010.92 742.82 2510.28 1644.57 3428.07 7102.8 2603.38 2764.78 3426.61 4233.31 1058.6 4440.6 4194.16 4957.46 3715.92 3656.87 2683.01 2605.59 3341.78 7485.01 1316.19 1183.85 7529.99 1805.31 2347.82 2494.57 3288.38 2223.59 2976.33 3199.93 680.85 8542.34 5665.1 6022.88 3327.43 7023.25 2229.16 2556.82 4920.24 4785.97 4279.79 4832.08 4827.33 4911.58 4707.3 4826.73 4774.22 4715.85 Thiobenzamide S,S-dioxide 141262.73 161331.81 145705.17 46020.78 158527.38 148982.33 159045.16 122254.35 99590.94 191532.76 67878.71 83030.36 119513.16 41122.12 124510.36 130552.74 255502.8 152281.55 179161.51 134567.37 146299.17 195167.17 152291.22 188080.79 192811.73 143657.28 137236 117673.77 209110.04 161168.57 185620.39 154313.55 141026.1 129852.83 150458.6 131052.04 126484.4 141407.65 109088.38 165291.59 154682.03 143452.68 171474.52 180060.16 153742.73 77473.44 163075.97 149142.66 123083.57 158794.72 196758.52 154039.28 132799.77 143066.58 59442.11 123780.8 195632.6 59449.23 140877.69 125165.16 162560.17 132631.91 206367.53 129300.78 128889.75 134241.54 135724.42 144703.92 130412.33 114160.03 101470.75 187388.9 114791.29 126424.16 40001.65 87412.43 84427.25 92963.31 70306.47 97290.03 92404.58 92432.21 87307.33 84594.38 Beta-Tyrosine 43688.64 42292.61 39709.23 72688.47 51874.12 72406.54 70448.65 53084.31 51966.83 82152.08 67389.76 55142.74 68974.79 70110.4 65876.55 79470.29 65196.29 78943.41 74792.56 63864.67 33921.9 27256.52 38127.91 33670.42 29894.12 35569.62 27412.67 31757.91 28410.18 45301.52 27752.99 36170.64 43531.98 29450.67 36417.85 33272.81 40452.19 21192.51 49832.15 27750.52 47568.9 51915.89 43247.43 67545.77 79798.08 67149.47 74174.45 38862.88 35398.93 69941.73 47492.77 48808.02 38420.64 34057.26 61651.88 55741.29 41047.72 50069.34 70024.88 80286.61 70222.2 78982.35 53048.34 66424.29 48035.27 47576.85 69618.77 55046.1 56327.6 85365.22 63908.81 83241.05 56668.21 57197.76 53668.12 11226.24 17269.36 13693.11 14831.08 10866.59 13343.82 18168.82 10459.75 13655.07 8807.66 15376.87 12135.6 13676.68 10788.95 10396.31 14163.94 18397.14 16145.59 11223.15 17014.38 17877.84 11468.03 13401.9 16322.01 12693.16 64384.35 65133.88 64556.21 63502.54 65147.63 65132.76 63661.91 61876.96 65204.94 1-(9Z-octadecenoyl)-2-octadecanoyl-glycero-3-phosphate 6862.49 625.16 441.7 418.02 8756.52 3251.53 5097.64 8978.24 7267.13 825.09 251.22 1895.56 852.52 443.51 11398.67 2188.9 766.02 2764.34 2784.34 6206.28 6326.15 150.19 654.47 529.49 2515.62 2153.47 1381.82 1186.4 871.79 579.81 3219.88 5219.01 358.69 172.98 477.14 1442.78 1053.68 377.9 621.8 537.51 4461.68 9207.67 825.47 419.7 21458.57 1722.34 6807.24 2499.54 1275.44 592.95 1246.78 2531.56 357.02 598.52 10647.72 3061.16 1016.31 173.71 7042.4 2085.31 1188.06 404.29 12892.5 161.36 992.23 9615.84 1258.15 823.13 803.99 3885.39 1485.04 2855.75 1777.19 1285.51 701.58 5735.01 6149.48 5993.31 5962.13 5812.84 5738.11 5875.98 5987.72 5760.43 N-Monodesmethyl-rizatriptan 6236.52 6359.16 4167.13 4313.08 8648.63 13003.63 17677.97 7709.55 5737.56 8753.14 8999.88 9246.97 18844.99 4236.45 8996.66 10151.08 4987.55 10806.43 9447.78 9710.44 6943.41 4253.64 6393.37 8453.58 4970.59 2453.03 4077.04 3520.9 4325.44 2267.85 5703.37 7887.18 3701.32 3996.57 4861.94 5294.32 6984.64 2995.97 6780.35 2391.13 12091.65 14563.27 6226.52 6737.39 14731.24 8301.96 7910.07 5256.35 5351.04 27387.26 7392.76 8163.8 6888.83 5845.51 5538.19 10266.63 4939.98 5827.69 7659.35 10919.31 6651.25 8467.63 7690.76 6959.92 3016.81 12244.2 7205.4 8690.34 6258.85 7613.39 4479.9 8264.13 5902.61 7170.98 9488.38 8857.75 8862.25 8873.88 8859.57 8900.78 8645.81 8939.9 7974.23 8522.71 6-[2-(3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}-2-hydroxypropanoyl)-5-hydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid 8475.56 556.95 5564.69 107.98 381.36 116761.68 4070.98 4022.85 977.58 60622.05 877.79 2309.12 4658.82 222.09 492.08 448.29 378.53 1111.62 1498.82 1183.33 2621.82 39643.9 659.14 356.25 452.81 31872.41 1549.36 5633.63 160.15 787.02 1146.47 806.28 10626.16 5856.74 266.42 3272.79 2588.55 13601.89 1251.39 390.95 679.75 13039.69 353.59 6995.2 574.08 721.06 398.89 1155.98 849.02 385.39 13765.88 1183.26 456.32 3491.81 6073.03 3043.55 7619.36 5199.02 3854.35 70746.55 370.87 8223.27 368.62 4035.52 647.83 11284.1 645.05 5516.94 1096.17 200.33 3477.5 56647.91 224.67 4606.19 4340.12 13016.3 12279.81 12231.84 12393.15 12125.66 12173.58 12129.44 11609.37 12212.91 N-Acetyl-O-demethylpuromycin-5'-phosphate 10181.61 14299.04 8008.36 15664.25 16988.69 14753.9 10428.24 9794.5 16036.24 6029.51 10183.2 16788.91 16592.71 12452.58 17403.65 21611.54 15892.59 20641.79 27223.65 17974.41 8598.06 5626.4 4023.24 14008.48 8648.94 6606.61 1780.74 5440.99 12818.67 9565.93 15534.99 13759.79 4354.43 3268.58 8343.57 8004.77 5428.28 2770.53 2640.06 6022.04 21575.76 11257.23 5791.07 9643.97 23547.89 11457.83 17777.6 14605.48 4694.24 27388.51 2173.97 9046.65 7407.49 13734.57 12197.41 12007.29 5857.72 11667.06 12218.9 7733.14 11605.9 1223.87 10329.01 11670.57 14695.5 19794.47 15865.22 6678.16 15319.54 12190.55 10450.6 9967.11 4039.4 19741.58 14740.4 10920.06 12204.26 12541.39 12228.46 12540.48 12191.11 12539.94 12166.98 12547.32 [(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate 26468.81 10103.45 11898.67 18461.93 38299.91 23395.59 74144.54 61209.83 29651.06 11404.68 6008.25 15712.53 10550.12 8030.8 38639.03 24828.08 11147.15 38020.07 3769.97 26901.17 36794.9 10326.53 19095.74 6378.95 31209.39 8461.25 4064.76 869.17 63179.28 9039.91 37889.5 15125.94 19408.36 14507.33 3590.35 33395.69 35438.29 2735.08 19156.44 11780.85 17498.41 29565.35 12865.75 4311.31 15312.08 79372.66 29739.87 31427.93 4461.99 6871.24 46214.16 20076.89 15332.48 40896.57 30314.95 10259.08 10744.3 5778.66 20684.08 9014.3 9587.41 30150.11 8034.55 16345.25 926.29 34222.78 1233.43 11269.99 12790.89 43682.64 23832.7 12504.23 8893.54 21870.02 56248.24 21000.02 21003.52 20597.89 20370.36 20856.94 20951.98 21210.81 20900.44 21021.42 PE-NMe(14:0/20:0) 2442.6 3434.89 27055.38 2830.11 3352.37 6789.26 2611 6913.51 2490.61 7842.15 931.39 9134.22 1790.7 3900.06 1199.76 4004.02 15660.12 4617.24 2395.08 2801.93 9298.15 3611.82 2063.11 6425.51 3546.11 1509.09 1953.43 1479.58 2717.74 426.71 1110.67 4755.91 11053.28 6980.41 3839.31 6963.61 2860.04 1382.15 797.64 3979.73 1025.76 9915.13 2012.36 1736.09 1254.14 3501.52 2091.19 5160.11 7601.06 2927.59 8567.29 2537.79 10759.29 12432.55 3972.27 6026.67 4848.87 837.57 1780.18 1226.51 8824.71 7986.4 7043.16 9160.52 5186.44 4729.64 1389.73 6733.08 3392.36 6247.85 1299.13 7877.92 4533.42 9197.64 7096.64 6667.21 6940.38 6848.42 7080.85 7036.03 7028.01 6712.91 4448.78 7058.56 (1beta)-9alpha,10beta-Diacetoxy-5alpha-cinnamoyloxytaxa-4(20),11-diene-2alpha,13alpha-diol 10516.95 12530.66 14846.18 12354.9 13328.58 16261.72 33109.37 13141.55 16085.43 23224.13 10860 16374.18 16385.12 21674.01 11098.59 17830.58 16732.84 5601.19 22379.12 10384 9575.35 8901.19 579.86 7225.5 7068.09 4783.25 4719.44 2041.45 6038.11 2676.91 10963.18 7904.56 3023.2 8380.4 3819.78 5541.59 6300.62 5667.51 3210.97 7483.39 11718.39 11893.22 14369.68 10722.85 13869.08 16594.1 16394.67 11467.22 1734.58 14287.73 16837.59 8750.75 7472.92 14473.61 8758.55 12241.85 9884.07 9607.33 5926.02 18103.85 1316.02 10582.16 13750.45 13542.66 8228.48 16483.44 17817.74 18333.97 14571.83 11865.14 16766.37 12687.55 10426.81 14861.08 16044.81 13060.01 13583.74 15700.48 13655.6 13443.85 13712.37 13878.15 13344.88 13039.76 3-(4-Bromophenyl)-5-(1-chloro-2-methylpropan-2-YL)-1,2,4-oxadiazole 1325.25 1819.37 2221.37 4796.15 3131.77 5480.97 1829.71 1507.14 1248.59 1971.11 1851.99 1764.74 2237.28 1117.84 1816.55 1163.77 3773.53 2357.18 1808.48 1986.51 3436.75 2297.52 2945.82 3872.92 2396.52 3714.8 2447.6 2008.43 1993.9 2152.26 5813.38 3793.49 1114.91 2369.38 3311.78 4959.9 1611.8 1637.81 4023.42 1598.84 5822.32 1435.49 948.64 1121.4 1562.48 1953.61 3027.92 1173.98 1467.4 2603.95 1894.94 1711.37 3950.61 1244.65 4184.71 1076.62 1965.42 1088.84 863.07 1468.25 1237.34 3525.88 1954.48 2269 675.38 1628.27 1351.13 2226.97 3992.79 1879.51 1332.16 1423.88 993.92 1076.78 1302.57 1420.74 1505.24 1492.97 1522.18 1405.54 1403.2 1404.32 1676.63 1470.66 Prolylprolyllysine 25369.97 33637.39 6047.63 50888.13 30795.2 390798.66 39728.23 50845.32 28241.4 78507.2 13011.56 35661.82 69917.48 70812.88 59474.67 21356.79 28081.11 42085.69 71192.01 37241.39 5854.25 4781.48 4016.48 6411.04 2619.36 7478.26 743.21 2778.97 47974.19 10119.82 20970.42 27247.37 4844.8 7759.41 4132.36 3258 3088.3 2403.39 3772.94 1819.83 22678.7 29768.32 10767.47 8888.04 31233.06 44865.04 13049.83 7023.61 7858.16 98749.26 23301.63 9992.98 12306.78 19914.66 8834.84 11792.99 4272.84 12088.92 8141.8 6655.66 3842.26 2012.99 19374.86 6385.95 12947.53 26436.42 68261.31 12113.57 13384.66 7560.27 21136.41 13550.98 11169.72 27259.91 16930.46 4061.69 9139.59 4011.43 4177.4 4154.61 4160.22 4347.16 4346.85 4124.08 3943.87 4043.31 4350.49 3990.62 4355.8 4147.45 4527.03 4744.3 4619.65 4290.03 4411.99 4834.37 4352.02 4170.34 4458.63 4455.41 17342.36 17302.22 15673.92 17344.55 17269 16467.38 16468.78 16053.26 16418.1 Dichotomin J 956.57 2401.02 739.3 138.64 18532.68 10190.33 3174.39 18601.26 26258.21 1171.32 1364.66 3197.7 4094.09 2364.05 18955.48 2211.64 325.09 2664.7 5038.73 9989.39 3146.76 343.98 1282.44 429.3 941.45 1728.42 148.73 212.28 1906.28 397.24 6009.75 9882.92 2956.64 484.96 1392.87 873.66 979.95 576.41 680.44 207.55 20603.18 11896.82 318.76 400.17 27578.26 2731.45 8735.96 2057.17 1994.37 942.75 10359.72 6097.79 508.86 220.57 10835.53 3336.06 141.16 155.47 11958.72 812.29 397.7 552.35 5016.02 402.94 259.89 5913.01 4604.53 131.18 2003.55 5175.79 9451.38 622.55 434.45 201.74 1775.46 8484.84 8802.01 8660.53 8815.05 8528.06 8894.28 8847.13 8005.81 8816.93 2-(4-Acetylpiperazin-1-yl)ethanethioamide 28699.97 10577.01 10326.97 15334.51 36099.45 13756.46 33851 34109.96 33758.08 23891.41 55258.64 61051.83 46642.51 35767.57 22359.78 51034.28 30728.36 30589.08 69393.92 48498.74 19994.25 4773.6 25138.09 29391.86 20830.31 14689.49 22349.89 49158.99 26744.43 42580.64 23861.67 53590.99 8951.55 16877.53 16244.77 21075.45 18331.84 2071.25 46225.65 16691.24 46030.76 38980.27 34032.77 42567.44 34316.4 41341.12 31456.48 47775.35 43621.84 68498.38 22712.92 16260.61 37214.71 34785.39 21881.9 11799.36 7844.62 8990.77 30285.88 6701.22 28417.54 27942.65 15814.64 34418.02 42449.68 39096.81 31642.82 42957.36 46073.43 26829.38 23741.45 30951.64 57711.05 23321 43690.54 34420.14 34794.24 35512.05 35357.18 34790.82 34786.37 34785.21 35081.86 34788.23 [(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-4-yl] (E)-3-phenylprop-2-enoate 5401.23 6239 3246.54 7420.84 4105.05 6660.92 3660.6 2043.86 5419.67 4367.71 5123.57 7342.77 8686.28 7107.67 2417.06 4816.74 3606.48 6211.71 6664.22 5304.13 3609.69 1657.4 4047.38 3533.05 3127.89 3452.06 988.4 3583.67 8099.55 6263.93 5206.15 7376.39 4090.65 4467.96 3100.91 4127.15 1959.23 2014.93 5121.33 2222.14 8538.42 5938.52 3125.72 5062.32 8682.66 6994.41 5860.29 4716.26 6894.27 10443.65 5479 6352.11 6107.13 7634.39 4677.99 4234.33 2784.25 2990.9 2949.57 3090.72 3975.18 2505.89 4281.29 1333.57 3623 5608.13 6430.62 5001.22 2954.81 3698.3 4340.23 4283.64 4775.16 5724.71 6904.1 5412.64 5583.72 5504.38 5375.89 5516.78 5495.16 5385.3 5383.15 5286.4 1-O-Galloylpedunculagin 3527.01 2068.33 4465.57 7083.29 4565.32 4481.14 9435.01 1491.56 3078.91 2706.04 3307.87 7338.66 5517.66 8131.86 1629.28 4480.66 7182.54 2821.02 5756 2059.57 1629.01 8580.89 6886.95 6796.9 4186.35 1253.66 2374.34 3825.53 3915.8 6506.16 2816.8 15218.2 3076.05 8011.86 9734.85 2146.06 3068.77 1446.41 8072.46 3902.48 5158.89 4504.75 8707.46 11143.56 4542.71 10113.23 2197.82 4859.44 2763.43 4099.79 2931.87 2225.81 8234.04 5670.41 9276.6 2818.79 11730.13 15450.44 3955.76 3883.75 3827.34 8615.06 3118.57 12905.91 4863.9 4310.88 2291.61 3040.42 5279.97 1971.61 3373.17 10660.18 4427.66 7548.7 8091.9 6960.98 6960.99 7012.74 6961.88 6983.69 6961.14 7035.53 6988.72 6839.38 2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine 7130.88 7528.29 4693.62 11094.08 7252.67 11836.35 6992.98 7040.53 5690.36 6575.57 7661.49 11069.37 12698.74 10684.85 6556.14 7417.97 9358.06 7846.7 10137.61 7794.48 5175.73 4619.02 5745.57 4845.66 4251.82 4104.03 2035.57 5448.18 8251 8960.93 7909.81 12192.34 6177.65 6513.41 5472.89 4985.99 4020.37 2502.07 6352.27 3938.54 11235.95 9959.93 6322.62 9068.53 16176.11 10575.21 8328.65 7455.26 9691.71 15453.33 10709.26 9618.46 8706.99 9050.8 7571.03 6753.02 1798.52 5654.13 5388.74 4726.65 3382.75 4337.99 7042.56 6746.67 5690.58 7881.19 9919.16 7120.41 6907.75 5685.78 7011.61 8040.14 8354.16 7527.2 7368.17 8277.04 8359.57 8347.17 7689.69 8782.04 8193.39 8201.92 8188.64 8259.15 sn-3-O-(Geranylgeranyl)glycerol 1-phosphate 9841.28 14076 13453.91 20718.68 15627.37 3878.31 17068.14 18350.71 15398.86 17155.34 12852.99 17303.16 17774.07 9429.56 9521.05 19573.77 18942.44 10911.14 21463.36 13289.43 10423.83 1365 5669.27 1362.73 8903 4844.81 5804.84 8250.37 6646.11 10148.47 8174.87 9508.35 7456.37 7977.01 6906.32 7291.04 7320.92 5470.75 4902.44 8091.24 11607.72 13048.35 8343.91 14412.12 9846.61 16884.32 15813.53 11509.07 8599.7 17333.29 6188.25 12298.67 10966.7 5990.22 9903.83 8135.19 10368.71 11308.9 16116.79 11140.85 18180.21 10506.96 16165.6 13551.4 14430.12 12294.7 10056.09 14239.58 10938.9 14668.79 11785.28 16051.95 12535.99 12998.13 14568.95 10839.87 11153.08 7865.37 11617.97 11983.01 10102.5 11677.9 11650.93 11629.44 1beta-Acetoxy-6-drimen-8alpha,11alpha-diol 12415.5 7477.85 13711.19 35636.95 33464.36 21089.25 16959.67 24825.61 22430.65 25807.3 20064.08 42879.49 169810.63 18800.89 15365 47787.71 16310.88 309825.91 55799.37 59698.19 8990.55 7821.41 9754.07 10450.52 10463.41 7480.28 7228.11 9701.21 7606.46 15194.41 4459.55 9155.04 10140.14 12643.56 9968.4 8625.1 10493.7 4328.43 13716.04 9573.6 24570.04 14313.64 11690.88 21757.7 31345.16 149904.55 24061.37 12792.49 8463.96 139340.96 10832.03 12385.51 14130.08 9760.61 13803.78 10518.85 12339.94 15258.5 22236.34 10215.05 28555.58 20335.86 12177.45 20058.79 16559.15 20446.96 118329.94 18632.6 21525.15 19749.26 17173.64 16294.96 18936.11 43705.33 36642.05 27852.33 26991.29 27786.45 28078.64 27351.15 24135.35 27752.58 26959.85 27824.34 [(2S,3R,4S,6R)-2-[[(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-9-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium 5139.76 5017.22 2428.73 3122.54 4466.62 4140.18 3924.08 3662.41 2840.7 6974.05 4835.83 8046.83 4878.39 2838.32 1590.75 2990.13 2590.93 476.04 4773.87 4245.74 6464.11 4968.99 5786.46 2796.69 12277.12 5861.07 2317.5 3866.23 3574.45 1993.06 5667.3 3821.34 2347.5 1716.92 4241.88 8834.95 2998.41 1601.04 4866.14 2474.1 7775.13 1898.68 6032.86 4720.94 7109.57 1499.74 1447.26 1198.06 2617.14 3038.71 2241.57 6944.97 3574.71 3607.87 4262.41 5472.91 1974.36 2051.04 5157.87 2478.64 3846.37 4151 4984.49 4635.32 4542.86 6621.78 3655.68 3387.81 4708.96 4936.29 3670.34 5400.26 2228.82 3204.98 3246.03 4925.52 4868.5 4618.64 4870.77 4807.06 4796.36 4839.56 4869.48 4792.26 1-Bromo-3-(butane-1-sulfinyl)benzene 1825.73 1154 3767.28 6852.88 3514.36 9705.65 6205.49 520.41 1044.41 1571.94 2301.54 5316.31 2938.75 5887.52 993.76 3729.86 6112.54 1898.49 3984.44 2332.33 1346.54 4512.02 6307.03 3531.49 1392.09 1222.41 1855.65 1330.85 3161.81 3613.52 1306.87 6526.72 1856.06 3747.85 2463.56 2610.75 1672.56 1108.34 4550.98 934.72 9484.2 6125.64 5112.86 6218 2468.43 6139.6 397.82 4067.9 2242.74 5142.66 2312.84 932.67 6129.39 9097.46 13136.2 1406.98 3800.84 5593.6 3181.35 4651.15 4123.15 6353.98 910.85 6274.43 1596.76 2710.36 1095.56 1514.19 3913.46 845.22 1288.1 5816.32 2781.3 7392.04 4319.7 283979.13 258668.94 240391.59 273539.27 250537.18 205714.6 267476.27 284082.32 225895.84 250329.36 216022.94 283711.47 270999.16 286649.42 197645.0 223123.08 239932.21 247926.62 298898.45 273522.09 249390.0 279845.43 266815.98 265229.16 284331.2 5892.39 5897.32 5900.84 5897.34 5741.85 5897.13 5916.12 5721.89 5806.1 Premithramycin A3' 2043.64 7417.33 6526.98 1796.32 2822.43 1373.85 3282.65 2669.17 14849.51 3569.04 2828.42 4754.75 3346.35 3959.37 1267.61 2025.09 8075.54 2951.77 2918.74 4835.6 5192.92 1170.95 2175.1 1560.19 1331.54 6498.07 2052.03 3917.33 2502.68 3560.65 2255.68 2373.73 3154.82 1712.91 3108.91 1771.76 8432.01 755.29 3589.81 4582.39 2388.94 507.69 3022.8 8346.56 3662.79 1986.97 3679.37 2798.68 1918.87 4419.2 2830.31 5872.51 1651.73 1031.52 3040.07 5865.99 6968.1 4811.4 4343.13 13356.77 4067.29 1435.03 7617.18 4316.19 2126.23 2952.98 2277.83 3182.64 10400.75 2118.11 5366.86 5795.19 3427.34 3261.79 5566.12 3327.6 3047.99 3411.67 2960.49 3326.42 1968.2 3049.11 2844.94 3947.97 cyclo[Gly-Ile-Val-Tyr-Phe-Pro] 9630.09 1414.16 2559.58 284.95 74539.72 64149.62 9131.68 36275.08 48949.12 1512.27 813.87 19386.9 411.61 9281.01 54932.85 5890.98 2039.03 14538.16 16486.12 28040.46 16205.26 455.26 3292.15 2664.91 10822.09 11531.11 2551.54 4128.24 15641.73 1910.54 37556 41842.51 12340.01 3349.64 2934.78 9812 4701.81 3066.19 846.92 303.11 49419.19 20533.03 351.6 4722.34 73599.19 8115.83 19325.71 11356.04 3900.38 301.42 14372.79 21011.8 399.08 7998.36 23777.95 19574.84 2059.11 393.35 64714.34 16014.9 303.05 5408.54 25624.5 1210.53 344.23 14424.69 21780.7 456.95 477.46 11795.08 11628.39 1631.76 405.54 1023.8 1559.43 21979.76 21963.86 21964.13 22386.09 21955.04 22032.49 22252.04 21248.41 22240.65 (2R)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid 8752.08 5163.74 9775.83 14057.38 13447.97 19412.14 19462.92 8640.93 6825.29 11410.76 12503.33 18849.71 24911.1 18324.83 6425.91 11464.56 12864.58 11586.06 22920.35 8040.57 5607.65 14271.21 13598.39 11749.91 7181.67 2940.71 6788.17 7244.52 8936.02 11007.4 728.56 22015.07 484.75 10485.08 13333.76 8459.34 5321.48 1729.91 17643.42 8558.09 27884.26 16963.61 18732.8 21629.13 14007.12 23830.98 6164.7 14165.65 9588.99 19411.43 9450.93 7400.51 19912.57 23145.9 19413.45 8966.21 17599.52 23025.29 9558.59 22129.81 13730.77 21972.76 9044.25 16956.28 10078.46 14618.15 4531.44 12015.65 12452.04 8663.94 5458.5 22876.12 14729.75 21537.74 15997.37 17969.06 17974.4 18145.58 18473.8 18030.38 18143.8 17974.42 18149.97 17777.27 Dichotomoside D 2451.57 2849.7 2237.04 4352.45 733.04 5042.09 5834.87 5952.59 4907.65 4235.59 3977.79 4780.99 2020.79 4933.05 3293.4 5537.89 5920.14 1776.79 7451.56 6783.41 4746.1 3168.74 5144.69 4750.28 5819.19 3561.75 2532.14 2806.86 3239.39 2149.78 1132.74 2067.88 1234.88 3349.36 3678.75 1584.07 1501.14 1847.55 2378.17 2302.16 663.56 3291.91 4307.32 2331.75 2041.76 5577.9 4900.58 5439.88 3699.84 2608.26 4359.48 1807.15 4959.5 4379.05 2476.97 1232.8 2371.53 3062.27 3772.23 3575.86 4992.19 4629.12 6202.75 5548.63 4098.15 5478.31 4894.15 4777.85 6385.72 4480.84 5130.35 7398.82 6486.3 6027.24 7323.61 5205.97 5414.2 5437.82 5543.18 5248.3 5304.38 4852.4 5370.66 5379.25 4alpha-Hydroxymethyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol 7057.53 17195.27 19120.71 5558.29 1345.81 7520.51 11398.37 3744.18 18576.66 28974.16 8793.13 3061.97 7047.01 2656.05 5310.52 2302.3 15074.66 7252.25 4586.17 10527.79 3978.76 27434.58 18650.19 20464.23 3487.48 13999.68 14810.61 11281.47 2739.82 14026.89 20375.11 6178.94 18300.44 6272.06 7762.22 1575.99 14839.27 29439.97 6879.74 21831.57 12631.29 3496.34 20640.67 8065 1505.23 6431.5 1878.66 36461.16 2013.26 1378.65 14727.32 5752.52 14047.02 3284.46 3740.16 7317.09 28563.6 17944.4 6118.94 15794.58 7369.99 10757.94 3735.77 4733.88 11774.53 9612.86 6463.27 28814.24 15247.26 2332.8 20004.27 2121.07 17916.04 6742.36 7421.03 4681.13 4289.72 4067.95 3872.87 3685.19 4291.84 3281.38 2336.21 4933.54 Trp-Thr-Leu 2269.7 4470.63 3467.41 3462.66 8190.42 2072.48 4020.25 5838.35 5865.19 4850.33 3254.33 6933.1 5125.64 2460.13 8648.93 6467.21 4816.34 6725.88 9740.21 5963.75 4818.85 2759.53 1157.4 4781.45 5139.24 2080.36 1332.93 2445.26 5181.74 3782.1 4844.17 6504.94 920.91 890.92 1363.36 2733.27 1777.15 608.51 641.95 1965.03 9769.84 7221.23 2048.57 2707.38 4386.11 2375.66 7744.75 3072.32 1510.65 7473.81 1358.32 4045.01 3093.13 2466.07 9488.12 5323.59 1781.87 3963.52 3855.93 3110.34 3058.67 1191.09 5326.32 1202.88 4640.93 5623.1 5313.86 2065.99 7018.48 4777.99 3153.83 3286.75 2003.31 7764.41 1998.26 5027.22 5468.31 3407.48 4692.84 5982.1 9671.76 3727.49 5739.27 5736.55 822.12 919.61 5278.3 3267.89 7835.25 4685.27 15615.11 11599.83 21805.83 8260.4 4926.92 17223.74 9157.16 11633.11 12907.37 11155.6 4316.68 4283.36 4333 4212.63 3999.77 4232.06 4577.67 3792.69 4332.05 Glycosyl-4,4'-diaponeurosporenoate 2853.37 2967.83 1814.85 2134.04 5842.86 12034.72 5611.69 9708.61 7318.33 2338.61 4648.58 2321.38 5186.78 8088.74 4592.49 10076.84 9416.62 7264.17 6294.72 3520.79 986.97 387.41 1950.61 2044.62 1743.57 2167.79 393.3 400.7 2424 843.49 2383.42 2474.98 2157.83 1222.88 1417.81 3090.67 2930.05 3248.62 2327.59 1895.33 7383.17 2813.52 2878.21 366.95 5904.27 2869.69 8017.68 3125.76 3273.65 5652.74 5318.52 1034.99 619.51 5609.19 4223.88 5526.52 1352.2 3716.07 716.42 3758.34 2685.24 1709.41 5846.78 4490.81 4182.8 1205.96 5603.48 6865.35 6007.18 6124.83 7347.26 3319.83 2087.18 904.87 8710.06 4693.72 5010.34 4973.93 4734.92 5101.77 4245.96 4746.29 4812.64 4762.71 Modafinil Acid 13335.45 20530.59 18798.11 25239.68 831.58 1438.73 5508.53 4844.79 5955.44 7442.38 24858.94 4984.53 16570.23 22028.41 3883.78 18097.8 15590.26 18609.28 10809.27 7319.97 11440.79 5911.35 11629.41 13227.28 10090.48 3619.3 9444.45 8503.2 4261.8 9415.25 11953.6 872.13 6936.91 9143.97 13382.71 14051.83 15993.63 3826.32 21087.19 19796.81 3465.62 1962.18 17622.93 30559.22 7990.17 11382.23 5296.2 24033.04 8684.46 4511.44 9407.7 10796.71 15692.58 8649.99 24268.87 26025.69 23336.79 22258.28 13099.01 4425.62 26925.51 18701.92 26633.77 19552.57 26176.43 27217.32 8911.03 20885.96 24989.14 11636.78 12101.89 6303.96 16108.42 2356.53 16460.66 8486.35 8518.03 8510.39 7711.54 7845.14 5193.32 8698.97 7427.66 7895.43 Asparagyltryptophylarginine 10742.17 3661.97 627.43 5957.26 9435.89 7254.05 2303.58 12034.18 12216.59 4938.21 5967.81 13221.45 7774.26 7248.11 8333.76 8280.96 3769.79 10496.82 9572.31 9571.32 8777.48 2001.63 2839.06 2760.27 9066.89 4501.51 4782.36 3753.79 7657.02 5592.53 3744.77 3820.53 5148.29 4620.59 4122.9 5743.81 7425.64 763.95 2243.44 3279.03 6021 8565.74 2700.18 5759.54 14872.82 5133.01 15749.01 7412.02 5356.23 11755.85 7461.8 5277.87 2189.24 4273.91 6968.66 2176.83 3503.04 2158.62 6874.59 2296.86 3611.33 6023.94 4264.61 1388.11 1823.82 11239.23 7099.77 14252 9854.14 9043.24 6452.72 3165.02 4253.01 1898.69 11044.77 6726.32 6358.7 6436.72 6705.03 6201.49 6444.02 7323.85 3147.84 6757.43 Thermozeaxanthin-13 710.98 558.57 380.05 672.77 602.92 300.3 1307.3 1506.86 2806.11 1236.25 2603.5 3926.52 417.26 1234.97 876.16 1184.42 1602.62 1755.79 1899.43 444.38 658.24 266.96 369.09 744.75 349.8 625.84 993 465.42 1220.16 376.57 469.9 1412.45 366.59 495.23 508.18 1061.77 1080.99 531.13 836.02 516.4 921.83 1995 1515.04 679.9 2602.5 527.26 2664.61 1685.75 1639.31 323.92 2711.74 543.08 412.86 379.2 4705.23 624.84 410.77 307.27 2168.02 711.74 851.27 501.24 1304.84 1248.31 623.07 2167.75 756.62 224.53 316.92 1504.85 579.5 1541.25 736.56 1197.56 1842.2 1658.41 1036.85 1491.47 1665.05 1608.27 2001.88 2435.46 1862.36 2299.45 Neoagarotetraose 363573.24 132869.67 4876.83 21744.49 267989.11 152782.7 87871.66 367796.73 476192.53 179725.12 107511.6 194190.27 33130.43 77022.04 420709.57 190729.04 79758.13 342003.05 195543.11 701295.98 240581 22486.53 17038.93 20385.4 237354.2 35919.29 21453.08 96717.55 285919.91 135231.74 253965.87 121287.88 156063.81 13139.2 12438.71 182999.28 247066.12 7112.09 53120.24 31509.98 393701.21 466621.34 39097.48 44975.35 319853.25 56984.45 460242.41 106712.8 98815.86 286928.69 198534.59 135239.08 36573.95 49956.84 258112.59 114968.79 6076.5 11245.87 342110.27 33018.77 36553.91 28125.5 148864.08 67219.63 144828.69 333944.08 340868.79 149244.24 190439.47 340849.29 463834.24 176746.62 223790.5 59891.31 77724.33 225340.6 225022.93 225723.53 224254.41 225723.45 228128.57 224236.18 217543.85 225377.28 trans,Polycis-decaprenyl phosphate(2-) 7270.04 1900.36 8110.73 9569.88 7545.92 3795.6 1001.33 6375.75 1327.45 9754.66 13016.92 13083.79 11936.18 13399.62 12970.72 10747.66 12669.13 2623.9 11638.42 10662.1 10897.79 11700.21 4212.26 3275.13 14630.67 10470.45 9074.47 10512.96 10796.93 8696.49 7927.23 9210.71 10675.35 7211.22 14456.75 11479.6 8683.56 8605.07 8993.11 6166.46 8468.24 7224.46 10519.24 8452.15 6602.57 3961.24 4219.43 10821.39 9505.03 5836.97 11399.76 10583.1 8888.6 9917.95 11806.69 7511.37 7610.92 11633.43 8397.68 6883.28 6253.93 10296.88 18511.7 14975.75 18201.23 10822.97 10495.13 10140.73 11475.17 16557.86 18170.06 4217.6 3246.31 12958.6 13309.46 12635.72 11945.72 8403.03 11587.34 12439.98 11131.56 12961.12 12562.9 12368.38 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate 12906.59 14521.15 14534.68 15988.33 13804.23 12036.93 14023.33 13411.4 12788.97 13519 11734.24 12733.53 13511.74 10556.87 10925.77 19016.95 16146.36 11703.66 17425.28 6292.21 17804.11 14659.87 11740.28 15918.12 11594.63 12033.27 13937.2 12107.6 11646.59 12524.49 8671.07 11769.85 9310.88 12119.98 12124.06 8743.32 8680.55 11483.79 13083.51 13038.35 4029.07 7979.82 8247.91 10975.36 6968.67 9880.42 6795.59 6281.84 11145.49 4769.34 7908.8 9947.54 12774.49 9711.22 14517.41 7208.2 9586.25 10049.16 12151.27 9212.14 11264.11 9368.94 10374.52 7504.29 6821.8 4705.91 8496.41 10597.13 9690.98 6613.79 7018.1 9573.96 5541.77 9092.17 6544.4 6845.98 5507.25 6412.3 6321.74 5509.96 5662.1 5954.38 5557.55 6308.04 2-[hydroxy-[2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium 6000.1 3907.15 1335.3 1176.47 2829.25 1915.45 8852.28 16039.14 14018.61 8620.64 5239.14 9826.78 2897.85 3071.32 4178.03 2054.55 9074.31 1838.64 6901.08 6097.87 8356.66 6271.69 12414 7316 10916.44 3829.64 15552.75 8518.34 6986.38 4188.3 6061.64 2269.32 5795.43 5697.2 5438.29 15151.35 2995.25 1512.28 4478.6 5402.15 2431.01 1137.52 4789.76 4284.96 2826.71 3380.83 9518.5 9068.84 10040.75 6076.22 4663.91 697.91 7765.41 8383.45 6502.42 1147.94 5453.96 1791.91 2724.4 2672.5 6033.68 13366.87 13022.95 9659.56 8033.73 5791.31 2151.36 15482.12 10047.8 6105.49 12997.28 7675.12 8755.32 7054.85 5832.16 8005.44 7782.81 7438.47 7407.97 8667.65 6517.62 7378.48 7762.04 7433.31 Ala-Ile-His 3003.68 5109.72 23617.72 6425.73 2268.71 24340.23 6663.84 6512.2 8275.42 6197.38 6735.77 1030.88 2798.25 3820.12 13408.07 9810.42 4553.96 17260.85 3557.47 12359.17 2673.3 526.21 5681.94 7123 6364.54 8647.94 3342.18 10474.17 11936.98 8158.77 9239.42 4591.55 8698.59 33421.94 7449.11 3072.35 6909.04 3658.52 9945.72 17604.36 3280.04 7396.54 15340.92 1735.53 3790.32 47439.53 9334.02 5250.9 4739.7 3292.84 15251.02 6312.53 23560.65 62860.91 7418.58 5982.02 5416.63 14787.14 3981.18 13444.23 8385.18 3734.57 9019.56 33393.7 11808.1 8540.99 1085.83 5658.16 4323.34 3196.46 4297.96 5037.05 10896.28 26232.55 8300.42 10792.7 10658.37 10644 10566.63 10644.05 10822.68 11040.12 10832.45 10830.85 alpha,alpha'-Trehalose 6-palmitate 7647.39 6242.91 4547.49 3123.67 11314.89 5677.25 10391.95 12348.73 12402.08 6588.89 4058.69 8265.39 6349.81 3207.53 10889.57 9993.66 15842.48 8289.55 912.18 5133.32 8346.41 944.88 4125.56 1501.19 6882.83 6826.16 3438.59 3002.81 9721.75 2104.71 1765.51 4124.98 1704.71 6844.6 5196.7 6326.7 7923.75 629.56 4372.3 5068.41 10496.15 6917.44 3629.2 5671.72 8931.32 6138.27 14751.53 8641.2 666.86 4262.9 7538.87 3795.35 2570.89 5200.38 7506.65 5167.28 2792.64 4848.87 9230.92 686.68 2264.67 3547.79 9286.8 4257.68 2625.19 5051.67 6854.85 8017.22 7714.7 12354.68 9324.31 4747.09 4576.7 2523.25 7248.44 6574.14 7276.76 7403.88 7118.67 7395.13 7004.71 7956.9 7388.38 7398.62 Curtisian N 36416.34 64406.74 19192.23 42484.43 16191.31 21057.95 11312.29 13627.58 13442.61 13205.94 11541.48 22854.79 39896.3 48858.66 38809.16 31027.84 35024.78 64435.27 39814.5 41904.23 13591.97 12476.21 5750.56 11041.03 7728.04 8294.78 4628.49 8545.39 30034.15 19831.46 48505.2 61168.32 12550.89 12526.4 10012.04 18259.79 6570.37 5568.33 7854.57 5391.95 50836.85 43767.03 15930.56 25732.44 78077.85 38165.62 32331.53 20620.05 22192.09 74614.43 33095.57 72885.01 21405.36 34839.4 28986.69 46734.48 14417.64 15290.61 13417.8 13615.65 10189.66 5291.59 36638.05 13279.46 27620.32 49279.21 124983.5 23413.88 25263.89 11585.9 14924.35 10449.15 11805.82 27731.98 14074.7 31808.61 32058.11 32119.54 31363.5 31843.88 31359.61 33419.26 31878.61 30638.88 6'-Oxogentamicin X2 12761.65 6901.55 725.08 9183.95 17535.49 2767.25 3230.27 13471.77 20603.93 3469.04 6946.93 24294.79 11363.2 9536.73 12669.96 14405.7 6375.58 14750.04 14235.03 13615.87 11750.54 2580.9 2864.19 4056.04 10530.76 4685.67 4769.46 5091.51 7097.47 8144.26 10131.45 7305 2209.93 3694.71 4195.54 6606.02 8026.43 1634.27 560 2779.53 16813.78 14490.46 4143.16 6879.81 13520.18 10740.27 19103.01 5323.41 1379.9 16844.82 8314.45 3127.2 5377.3 8724.35 9227.11 7227.42 3397.62 6105.14 8258.73 3595.76 4306.54 5244.7 10465.41 3678.92 5317.86 15525.42 14962.02 15666.74 16771.19 9713.88 6764.43 3933.34 5063.66 10615.99 13786.66 10854.44 10785.68 10716.07 10998.53 11165.27 11084.87 11169.02 11070.55 9782.85 6-Oxoiguesterol 10716.87 25324.07 20538.33 20581.41 22789.53 16528.74 23600.1 25080.26 25494.09 26635.83 15479.85 20359.53 14059.11 10585.94 12659.75 18021.58 31795.6 12424.84 29531.07 16042.89 18453.38 13228.63 10439.33 22038.22 13474.82 8430.44 11129.5 5607.05 13854.74 6373.64 12681.84 8497.6 9791.96 17909.19 10248.09 11311.68 9537.17 13130.88 7239.6 17286.9 21046.62 19445.73 17175.4 25222.55 25866.72 27596.35 18169.51 23799.91 16273.7 18628.93 19446.92 16239.79 21742.69 18715.03 11299.4 14201.9 15823.81 15450.14 23265.63 15186.57 32930.9 20996.53 21731.86 17751.25 26001.84 21347.05 22238.73 26228.43 7128.03 15540.35 20264.11 29936.33 7049.1 16098.48 25907.56 18810.5 18071.21 19406.6 18790.03 18874.47 18958.68 18787.65 19526.6 20349.11 Tricin-4'-O-rutinoside-7-O-rutinoside 9241.07 2128.9 482.79 622.76 2475.19 347.53 624.06 11047.64 10035.04 2674.78 1188.13 5217.17 315.93 1168.98 1337.82 3778.92 1095.65 5720.53 2561.26 9729.92 4097.22 512.76 457.09 479.26 3647.53 3003.23 827.79 1317.21 3946.75 2305.46 8680.15 2499.65 1070.17 435.82 255.25 9448.8 3039.43 475.28 470.85 488.42 13668.06 6661.82 211.51 501.53 11809.7 949.8 7629.7 1584.14 2097.46 6311.71 3944.07 2146.89 525.82 876.1 7653.6 2130.86 535 739.83 6319.55 368.62 1195.65 537.49 1403.31 688.41 1172.11 7491.71 4962.56 3429.18 4767.08 6471.81 6056.02 1684.28 5656.14 1260.93 1500.36 5341.1 5328.92 5191.81 5879.71 5431.28 5355.59 5644.82 5647.14 5618.88 PA(22:2(13Z,16Z)/24:1(15Z)) 5802.95 9769.89 1076.14 3976.42 3085 4968.83 5909.72 2518.2 2288.88 14707.37 4871.83 5210.81 10538.77 49624.61 7383.41 2985 1198.57 1128.2 10562.57 18791.69 1857.28 6327.36 1088.33 20911.99 6311.71 2002.12 4934.16 16861.48 1161.6 9099 18710.75 4213.41 11549.68 7751.21 15235.65 6394.88 7682.48 1514.47 1005.46 27694.22 1651.85 6282.57 5230.31 33337.53 13976.37 1882.03 1458.77 5356.94 6422.91 3322.18 9127.79 3063.67 6151.68 7815.5 7914.82 2200.95 5089.11 12471.29 6284.96 43499.02 2354.86 35035.94 6876.3 967.25 5917.33 3967.22 6329.14 22375.87 44185.64 7630.64 10452.07 2164.39 8237.05 16784.74 5899.32 3401.94 3127.18 3181.06 2711.32 2955.25 3135.81 2929.64 2733.14 3135.87 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol 704.31 6831.25 1068.49 4546.86 6637.3 339.44 4504.34 7964.63 8939.36 4080.9 3316.67 1276.1 5636.14 769.68 5040.37 31390.03 8515.24 9494.11 17458 842.17 1667.42 2186.04 2888.83 3452.98 455.2 632.77 2093.19 2280.13 1797.62 652.89 1913.85 1188.47 605.28 324.22 998.74 1083.4 1033.11 1178.6 1647.37 2563.92 796.17 984.37 6383.55 1496.97 17277.81 1449.92 2636.11 2296.24 3432.61 4387 2682.12 890.66 8613.88 3091.63 10143.94 1243.28 2165.01 805.77 9160.62 4495.27 32228.31 5705 14094.3 22406.47 6702.72 1917.59 663.4 791.11 2985.92 11595.28 11353.04 3782.45 11558.71 10930.11 4260.68 11808.89 1336.44 700.0 2111.49 4443.44 5870.68 6994.09 7968.85 8177.09 11350.64 12124.4 12075.88 12320.24 13079.23 4128.95 10580.78 11152.63 10103.97 9262.61 10831.47 9966.18 9813.49 10666.1 11962.21 5623.25 6041.97 6121.26 5475.34 6044.23 3447.08 6139.89 6051.94 5781.31 2-(5-iodo-2-methyl-1H-indol-3-yl)ethanamine 85751.86 95007.06 62437.21 69978.02 72437.17 69778.5 90276.19 47992.09 50215.17 94753.13 80732.72 43750.97 75323.89 87968.33 78346.99 89321.13 105235.27 43340.85 60736.27 49897.33 92406.99 78381.76 101086.94 126219.62 75280.47 101376.72 92134.5 97238.98 108632.46 84705.51 66454.63 93428.61 100008.38 114478.47 163040.15 106396.19 98649.91 130492.51 93825.5 81304.28 54125.66 105436.26 100956.52 95256.9 111017.94 95094.33 105167.29 68193.24 78153.78 97047.6 110171.79 78810.01 72184.22 66975.26 85806.5 102684.06 69240.76 115953.76 99524.89 113551.53 71259.01 90219.3 78268.75 107583.35 62489.42 54936.35 84832.43 88577.7 70314.03 84964.62 76713.76 102202.27 109380.66 53531.01 62946.41 71593.89 72285.57 72274.84 70580.29 71396.06 74195.13 74103.54 70809.55 77298.15 Gln-Ser-Ile-Lys 16589.25 20658.14 15328.86 21437.6 28184.73 50968.75 37148.91 35152.4 32436.45 35570.36 35405.12 40356.93 43859.38 27512.84 22822.05 41891.04 20449.06 24653.78 41910.11 31063.84 22731.58 18193.58 22072.08 16978.27 17880.22 17396.78 9676.64 22020.63 15064.64 11798.94 1038.27 31793.37 15849.94 19421.89 17434.37 15168.72 16516.09 2297.09 24473.53 10744.21 39626.03 26154.73 36828.45 25784.79 38879.19 26570.12 37489.24 32680.74 15837.07 48329.15 16640.99 24314.51 42386.9 39945.58 17718.05 23816.64 12265.42 17549.36 34413.07 20998.75 20077.95 26956.01 21789.61 46055.98 46491.02 32434.53 34064.28 23725.1 30419.46 29458.69 29983.04 31252.84 42288.12 42128.66 36774.16 37495.51 38483.29 38236.28 37725.06 37496.68 37505.7 37824.14 37062.82 37821.13 [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate 20966.08 7286.59 3041.71 4275.83 33800.76 2417.76 2944.74 38995.54 14471.92 7287.69 7630.88 20856.01 8915.67 10813.78 13511.14 7675.92 11342.83 13741.24 29411.47 53848.6 27407.98 1319.33 4051.75 3478.45 37333.58 4767.41 1113.48 4931.08 26716.22 8799.42 8536.3 13524.1 7693.61 3972.03 1880.11 19467.51 18089.42 1807.96 5244.91 2210.08 13370.17 22104.18 7634.27 2968.38 17634.67 7352.58 28110.7 15135.96 8669.16 22037.83 35100.85 11486.79 11894.08 9968.32 28329.05 2318.11 2641.94 3665.32 27522.63 1762.25 6713.38 2121.63 22100.16 11068.37 15126.07 20784.35 1893.53 8689.51 8212.98 56658.98 6503.75 8376.74 17115.91 4812.22 8224.2 16760.7 16747.36 16749.75 16875.31 16614.6 16610.46 16584.3 16150.53 16614.27 2-{4-[4-{3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-2,6-dihydroxyphenyl}-6-(hydroxymethyl)oxane-3,4,5-triol 10059.84 10859.83 13427.22 12605.63 2763.7 2001.42 3774.1 1769.5 3266.01 8022.74 11436.58 4643.04 4448.58 12407.83 4656.49 2735.17 2905.2 3847.97 5148.7 5835.4 1403.19 999.8 18266.62 19120.9 11811.43 4346.73 28742.24 22296.89 1257.93 924.27 2306.88 6753.39 11453.41 12175.33 12038.62 10999.17 10580.38 11160.3 17698.54 27637.67 2796.89 1411.84 15971.2 10513.39 3083.33 6185.72 5934.61 18540.69 9211.79 4502.18 5275.48 19120.32 11740.27 12387.28 6708.8 8334.13 15694.58 22644.12 3509.04 13228.84 16422.2 16174.07 4641.85 11975.39 14295.49 5016.15 3390.02 19781.42 12978.1 4056.12 15939.27 13934.23 6121.72 9599.35 11912.66 3659.9 3650.55 3976.42 3301.73 4072.45 2605.95 3352.82 3777.55 3747.81 1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate 9889.66 14226.22 66864.22 16989.54 17600.94 6688.76 12072.91 19405.21 32729.91 13838.44 17079.6 19875.27 8303.34 11466.54 32256.83 37010 36657.47 12880.84 40658.63 16744.14 27826.02 11555.01 51679.9 23566.45 27095.84 5731.72 10547.03 4212.55 41931.42 15159.16 1752.24 14310.64 44709.59 28921.99 21862.36 40488.87 18764.76 450.07 18613.44 5965.44 4616.06 27476.22 36299.83 6328.68 7145.79 18452.04 31054.81 42928.08 44506 14600 12564.85 39101.41 31040.25 44370.3 40136.14 18408.56 32054.33 21538.91 38055.64 7543.63 26115.62 16901.64 27858.13 50213.91 33928.39 41013.91 5396.54 14017.61 4465.25 28778.99 9350.35 9470.97 21106.88 26389.07 21210.4 28680.96 36480.2 34559.34 36147.54 37624.2 34099.25 35957.48 36139.75 35884.56 (4aR,6aS,6bR,9S,10S,12aR)-10-hydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one 8769.88 9802.84 6894.24 7443.03 17675.42 3297.83 3011.92 14880.69 6299.68 10820.77 11762.41 17323.9 17942.09 9597.57 17858.54 15203.57 10463.09 12798.63 14802.2 2408.48 9420.94 2017.19 11420.33 6560.49 13735.76 7070.88 6099.26 3642.61 11705.31 6058.94 5799.52 17494.15 12477.98 7182.78 5805.23 11281.13 10494.59 2306.99 7376.78 3186.04 766.79 13678.71 11006.63 7389.96 13820.54 7282.25 13307.69 23362.98 12394.44 12142.16 15547.06 15630.02 13052.82 13968.73 17020.05 11714.06 7692.53 6633.67 23944.8 9544.68 11227.36 12892.47 14773.47 12177.57 10472.75 17727.62 7269 12449.32 7584.33 15971.7 8505.24 13529.62 8970.32 12595.08 16853.07 12941.49 13088 13091.4 10863.34 13864.68 13335.04 13355.81 13351.67 12900.18 Humic acid 2264.09 9767.48 4570.03 3458.65 867.64 8556.2 4498.82 3539.15 12768.78 6682.45 13495.11 11949.58 8862.18 9052.65 4109.06 10736.55 8001.16 9543.24 14131.82 6242.71 3182.85 6211.07 2188.64 2594.51 3631.6 3093.65 2562.57 1052.77 7699.11 2299.21 3516.46 3392.71 6013.45 4077.19 899.7 1520.54 4603.22 572.27 6269.59 1520.95 7178.36 611.73 3243.33 11095.15 6626.48 4325.37 6327.49 10747.77 2557.63 3398.75 956.77 2515.69 441.37 1600.47 4829.1 3994.46 4962.95 3683.86 6473.58 5528.75 6302.45 5613.84 4423.02 5844.37 12742.64 2413.66 7370.53 5198.82 6045.69 5046.82 6552.34 12005.92 11659.24 5664.44 3249.6 5504.35 4470.06 5226.22 4834.02 4292.15 4993.35 5397.2 4899.29 5455.98 Tris(1,3-dichloro-2-propyl)phosphate 5311.24 6444.84 6657.35 4833.17 2763.67 3866.85 3750.24 13417.32 6458.24 53992.3 5001.55 7400.29 6704.02 7779.7 3936.18 2957.47 4349.97 4703.24 3994.58 3969.16 5197.53 13151.48 8432.34 13001.03 20001.49 8888.04 8644.51 8652.92 6147.96 6529.08 7886.79 5584.42 6469.43 8842.67 16273.73 8367.34 7597.38 10532.36 12524.24 8127.18 5179.4 6448.15 15243.13 8421.01 8360.41 5232.94 4841.47 6110.57 11687.65 3809.73 12677.32 6584.82 7393.06 7666.47 5449.18 6565.62 7357.22 10022.68 5690.08 11333.37 7554.77 10398.26 11579.33 5887.1 5493.13 2773.32 4815.63 13684.21 5514.43 4541.41 5044.89 6182.12 9401.86 5208.21 6244.73 19020.55 20612.24 16026.86 15539.44 13818.09 19797.31 19802.21 19864.97 15962.19 16013.16 19666.24 15572.68 15518.47 15394.06 16554.29 21579.15 17156.8 14748.7 15176.88 17125.51 15887.59 22358.1 15787.85 21232.29 15689.08 6899.37 7371.49 7026.04 7425.66 6887.49 7106.78 6888 7866.02 7230.93 7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one 723.3 2435.37 1259.41 900.4 865.55 679.84 1178.61 854.42 1202.03 425.87 499.02 1865.08 1667.09 786.19 2079.05 991.27 724.22 973.27 912.93 2059.93 819.06 1806.53 480.64 802.17 586.13 1280.32 994.43 506.76 2249.83 817.25 4523.38 541.91 849.83 756.48 488.53 824.9 786.86 2139.82 452.23 918.52 981.41 845 461.24 1183.75 1596.56 430.5 519.94 648.48 442.34 1026.08 517.83 2979.7 702.33 1340.16 929.17 1665.41 1267.12 761.1 521.74 925.77 937.6 865.25 1812.81 1062.58 1356.82 1173.39 1849.43 979.44 390.81 614 893.56 865.6 578.6 686 485.91 1108.78 950 1335.19 1140.49 1197.97 1362.83 940.51 1038.28 1058.95 1-Carboxy-5-methylphenazine-5-ium 5405.07 4400.36 5538.66 3516.97 2884.37 2614.02 3993.77 1193.04 3693.61 1383.19 2294.96 1351.36 751.71 2358.59 2352.14 899.19 2088.86 3152.16 2506.41 2005.22 1024.5 3283.11 1805.19 2102.03 1204.37 1882.39 1854.82 2844.22 2353.92 4988.37 2902.39 2472.11 568.11 4566 5756.48 1947.49 1953.11 805.32 5009.91 3804.52 7446.96 6478.41 3437.07 1912.72 2431.25 11200.76 1423.39 961.92 1287.5 1990.64 3351.22 3093.69 775.78 5354.14 4314.08 655.92 2134.48 2538.79 1449.85 3148.93 3160.28 448.75 4861.37 11101.65 2334.29 2428.99 4869.3 1446.16 1637.63 2423.55 2244.76 3564.71 4236.14 5381.71 5680.4 3094.88 3183.37 3621.05 3498.92 3303.97 1163.31 3508.11 3524.91 3505.06 3-(Indol-3-yl)lactate 5520.06 15378.23 4173.02 10442.67 22215.15 15630.67 7875.44 33955.12 29197.17 18322.71 36090.61 3153.26 1693.34 9241.16 8418.44 31533.63 10432.11 16437.82 9722.57 34702.05 10456.09 2463.85 1678.46 5207.13 4336.22 5357.63 2617.67 4534.71 7438.93 1955.41 13618.63 13751.19 2978.78 3519.71 1094 3624.27 12257.77 3419.78 5917.69 5552.82 21286.1 1868.25 10230.24 17294.51 57720.41 10309.4 23622.46 11357.35 2005.73 19058.39 1518.35 15919.86 19014.87 13729.96 1517.94 5797.88 4927.57 12283.27 24004.12 6867.15 5150.25 5599.1 12272.77 15459.4 12488.35 16696.74 23632.68 4612.05 21182.56 21846.1 37718.01 15521.16 25093.26 18296.72 16644.52 19674.16 19979.68 19749.02 20163.97 20224.19 20255.51 20218.24 19697.39 19213.19 4'-Benzyloxy-5,7-dimethoxyflavone 1040.87 434.48 340.24 1108.78 1773.18 3269.84 2806.64 463.11 373.19 964.23 957.98 641 1357.24 693.01 635.87 1327.04 865.22 315.45 754.56 586.66 954.02 1303.91 979.04 387.32 998.41 2347.37 968.98 982.42 489.94 899.15 883.64 545.96 361.7 521.6 639.69 884.25 761.31 1631.19 690.48 1732.94 1981.08 569.04 648.59 643.98 751.23 2254.04 751.01 816.53 729.46 543.48 906.62 523.86 300.06 523.64 1719.24 410 433.76 450.42 784.7 1336.29 289.41 730.28 1014.44 802.8 599.14 743.09 519.53 472.71 1079.36 762.53 659.98 1117.72 498.2 1061.11 1114.64 1470.69 1285.8 1427.81 1456.41 1437.54 1463.23 1506.06 1319.73 1356.87 PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 1145.71 954.97 865.81 486.26 1883.99 2090.89 4856.11 911.25 1046.94 1021.63 935.79 384.61 2228.68 1973.16 3340.69 1097.95 823.97 1026.48 1477.95 1940.94 786.01 694.09 254.62 348.58 586.96 319.46 424.63 700.89 586 755.45 1248.91 416.37 717.02 690.21 845.95 378.7 342.61 330.75 500.94 781.82 1320.43 314.73 442 281.68 3466.27 8413.86 2203.81 864.25 376.26 853.62 801.57 1210.24 472.86 735.83 1554.17 233.09 641.63 389.24 1110.78 385.79 839.59 487.48 950.71 1463.78 1058.68 611.08 1456.88 576.48 188.42 1236.71 1736.73 909.97 657.09 205.07 638.81 1422.25 1974.64 2019.87 1653.3 1608.13 2628.99 2658.64 1676.78 1977.96 2-(2-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione 1960.63 1698.19 2115.25 1723.88 1103.05 5786.36 5226.78 3432.64 3647.89 5038.84 1087.88 693.49 752.22 1314.95 6003.08 2199.69 2576.51 1220.77 1108.66 3398.3 876.96 1776.76 2475.57 2470.01 2688.73 980.19 422.82 1985.52 8167.05 2586.91 1127.32 4357.77 3065.18 1119.98 445.03 2990.36 431.12 1889.75 1479.28 457.32 7111.58 5348.33 1227.1 514.55 6133.81 2147.5 4229.7 7905.98 769.46 2829.01 4942.97 3246.38 4671.88 5736.13 3508.83 4851.63 1072.6 2973.46 8315.83 4861.1 1097.85 2879.77 5080.68 1555.76 3821.04 3982.84 2223.1 2547.27 2943.06 1141.47 1727.3 2070.8 8361.22 5396.4 1158.09 4770.8 3787.69 3487.27 4378.55 3592.16 2596.52 3541.46 3664.42 3809.12 [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate 725.11 4481.01 12733.28 2663.09 1321.04 1853.98 6469.23 578.85 3157.6 1867.18 5795.43 580.96 4755.97 3989.89 3747.62 2000.06 5251.58 8171.14 1137.94 3949.65 6106.28 2136.56 3466.14 1335.97 5582.79 5988.78 707.62 4561.02 4023.93 4352.58 1205.57 1673.4 2287.57 3606.32 2215.21 6672.55 1513.59 1422.25 2034.31 5785.95 1975.13 6607.94 8259.11 2299.41 14057.63 6042.21 3929.07 4495.85 3757.42 1863.95 7424.47 4492.46 3969.76 3653.9 2560.52 5654.38 8701.55 3877.87 5050.34 1840.98 1857.6 4705.52 2822.14 3959.51 3673.94 3340.05 11041.42 5590.6 2865.87 3532.62 3866.05 4626.94 2880.46 2376.08 3008.47 4075.27 3774.25 3902.61 4133.27 4015.7 3657.62 4344.63 3522.05 3750.4 Alanyltyrosylarginine 1393.37 1498.86 1625.79 2135.71 3453.97 6115.49 6842.82 2570.34 2787.19 1376.84 2159.56 2111.84 8632.9 3875.33 1863.58 2851.92 716.98 2711.7 4205.94 5727.42 2100.51 1368.54 1318.35 545.47 1282.12 671.99 691.11 1206.28 2103.2 1227.14 2613.38 7718.42 2423.01 4209.16 1153.19 742.93 1449.93 814.35 1739.37 464.75 4873.37 4458.59 1987.4 2904.83 7417.04 9624.37 3644.94 2096.01 465.55 4972.02 2167.04 3982.55 685.93 2470.26 2311.85 2146.09 695.36 1801.58 2197.18 2128.2 1675.33 471.6 2233.64 1938.12 2067.88 1934.64 3619.29 928.12 1916.55 2180.9 2230.68 2285.54 745.37 2491.02 923.29 2415.94 2427.93 2610.51 2608.78 2609.79 2211.04 2653.35 2478.42 2631.58 cytosyl-4'-oxo-beta-D-glucuronate 5413.55 1104.85 3131.75 1824.64 10910.61 4980.34 3518.99 8512.28 10697.04 1634.91 8137.19 8661.36 10517.26 7440.39 3638.9 19239.35 2974.78 13149.11 9461.27 7937.67 10269.59 2187.6 1652.92 2367.16 3117.67 4561.35 2894.81 2099.45 3987.19 2809.47 12595.04 4691.36 10424.96 1868.24 2981.64 2738.24 9742.13 4589.02 20489.47 2162.76 4452.75 10085.02 2621.47 2664.68 4199.33 20235.62 11480.42 4940.75 771.31 8058.66 2850.6 7353.35 6387.27 530.4 3053.34 6409.62 2025.71 718.55 8260.8 3173.44 6209.6 6762.16 8942.21 2355.48 5206.02 5552.03 13231.99 5193.39 4294.76 5653.66 4328.6 5185.14 961.22 4999.8 5800.04 6074.79 5583.21 5246.08 6174.13 6137.1 5353.64 5595.67 6073.58 5528.55 (2R)-2alpha-(Hydroxymethyl)-3beta,4alpha,8,10-tetrahydroxy-2,3,4,4aalpha,6,10bbeta-hexahydropyrano[3,2-c][2]benzopyran-6-one 2134.58 633.12 1055.15 410.13 7051.81 3490.91 4895.24 403.33 7614.72 2469.79 1176.5 5940.82 9681.57 2063.76 4695.75 1206.87 577.25 2587.63 5645.74 1341.43 1045.16 888.77 361.69 808.35 789.74 1481.6 1238.03 1275.53 841.7 8250.26 804.98 2560.62 1418.76 2756.99 665.8 1056.3 1156.3 526.01 1931.28 942.87 676.03 902.08 1032.44 772.57 2747.7 933.03 2452.62 1566.59 1714.26 2472.9 4013.86 1541.19 1927.47 1928.89 503.42 569.17 675.24 447.57 931.85 1570.79 2290.11 1297.61 1413.64 885.83 3844.56 1559.24 1572.08 969.97 5935.53 2618.89 1109.24 3135.73 1909.74 1458.2 911.93 1782.38 2051.17 2566.42 1852.6 1186.33 1686.62 1830.05 1626.76 2157.6 Methanofuran b 2845.2 9833.47 4306.72 10201.84 1150 5089.93 5664.17 2807.24 2735.3 5942.45 5359.37 4212 3098.47 5004.52 9087.72 842.21 2962.94 3952.37 12280.31 3094.78 3905.38 18975.46 8222.28 1502.83 3994.34 3561.11 621.97 1875.18 4241.88 1030.47 1787 4563.49 6994.6 7362.48 6196.97 2024.3 6392.18 707.63 2279.18 6121.43 3217.76 3851.84 17891.62 1312.47 4183.96 5105.18 5423.67 23487.26 7856.99 1040.88 6645.89 12460.87 11642.99 3656.89 525.38 11426.09 4041.59 5287.4 5076.29 5268.56 2446.42 12656.47 6716.55 11439.43 4289.98 2008.66 9825.12 3123.09 3059.78 4415.74 3382.19 4417.44 4692.36 6400.5 6732.39 5741.91 5372.06 6566.15 5778.01 4085.99 5639.98 5786.79 5442.6 5387.67 Val-Pro-Arg 7742.49 8575.89 3912.35 13672.56 16306.66 12527.33 5086.02 12183.8 10066.41 4626.67 6015.07 16427.16 24755.21 18009.31 17752.71 13817.47 11937.24 26799.85 25137.53 34344.52 9682.53 3661.16 3246.84 6865.24 5480.44 4260.08 3159.89 2508.67 8281.03 11631.53 11992.49 16979.13 3061.4 1301.08 3468.69 6810.16 9933.65 1075.84 1996.98 3264.86 44742.55 15575.65 7597.11 8342.51 19281.95 14440.23 21029.56 11311.96 3141.96 25004.76 2751.22 5878.63 5954.57 10802.76 14564.88 12410.39 6297.85 9053.11 8060.45 5942.01 7283.73 4230.91 7487.6 11796.09 11103.56 17138.06 18250.99 11068.93 17483.35 8210.52 5331.32 8657.64 4524.37 11955.84 12001.35 13102.07 13841.94 13580.58 13238.98 13563.03 13323.27 13559.42 13576.51 13301.33 2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}butanoate 3836.21 4418.53 1944.43 6195.62 2652.64 3982.61 2974.87 2428.91 3515.97 1942.06 2523.1 4710.43 4592.69 3526.49 3740.99 4496.33 5000.69 4705.21 6193.15 4955.04 2258.1 856.28 1626.54 1546.33 968.46 1916.1 1187.21 963.37 3858.93 2315.55 3087.85 4415.25 591.7 486.88 952.27 3033.56 806.89 806.51 600.35 1525.02 6029.53 2452.58 2002.35 2658.64 6070.98 4311.34 5172.51 4336.34 3276.88 7187.79 3235.79 4348.02 3287.79 3647.61 3701.14 1851.98 1612.66 1034.77 736.97 2059.15 2341.47 2500.17 2439.28 1130.72 2795.23 1477.76 7272.91 3310.21 4014.34 2285.56 1824.62 2551.95 1546.4 4606.08 2453.65 3656.24 3792.75 3582.25 2882.33 3411.59 3418.17 3436.38 3411.3 3413.05 8-Fluoro-5-(trifluoromethyl)quinoline 893.15 483.91 730.44 941.15 1420.53 1251.7 779.06 371.92 562.76 602.26 868.59 1460.33 1762.38 452.6 891.43 951.17 698.42 879.66 407.38 680.16 559.14 6462.46 3186.91 2737 1487.76 435.77 373.36 1142.43 674.87 511.57 582.14 1037.19 594.82 6369.1 2177.01 654.29 1061.24 2039.12 800.71 959.49 396.83 871.28 661.72 1100.19 600.22 977.69 615.04 388.55 534.62 1069.75 566.99 835.83 1358.92 742.25 1434.1 695.85 416.92 929.84 597.8 708.35 893.6 635.31 387.19 517.29 968.45 964.99 925.15 1186.87 1201.02 1833.09 1666.13 584.26 1015.96 710.73 557.05 913.63 1142.35 1210.13 1193.44 1139.01 1415.35 1309.19 1213.51 1344.42 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid 1250.04 849.94 694.86 226.91 9609.54 660.37 5609.05 450.95 905.11 1444.95 1086.28 1299.98 1529.01 249.59 815.74 5506.22 1548.68 1021.67 313.63 1561.25 1798.25 412.17 666.39 557.79 3036.48 265.07 1387.67 983.05 739.88 678.07 811.06 1017.22 526.28 730.39 740.23 897.08 218.32 330.69 1118.95 798.77 914.89 2692.65 640.72 503.17 2882.22 5709.95 641.95 1164.64 697.08 555.45 973.48 441.18 3299.26 1412.19 1226.45 722.08 710.09 758.75 7349.71 5928.53 756.62 4006.16 676.51 197.1 930.43 1108.92 1267.53 1822.29 680.24 1186 260.81 1375.39 1155.32 449.73 1348.7 2679.1 2772.24 2615.73 2677.38 2456.67 2049.9 2506.34 2367.58 2498.55 Carnitine C21:3 18028.58 6269.63 1697.78 1537.8 8767.05 1301.58 2302.67 21029.49 31332.51 1072.8 3594.19 36632.28 6621.75 1524.92 17051.68 892.03 1321.17 8744.46 2029.35 3278.98 15323.71 2241.51 1456.53 2928.58 18249.95 8183.03 2247.4 2819.26 12926.26 13232.3 14585.38 17151.13 9178.25 10860.67 1094.36 27405.7 11654.06 1891.15 595.34 868.41 9735.76 25709.19 1844.7 1457.68 34784.58 1374.82 24806.19 12342.84 3881.06 7848.35 17817.02 7766.95 3765.74 875.06 14092.61 10966.96 1718.83 1877.15 18089.79 6823.98 1670.78 9633.19 3926.63 1745.74 911.13 21733.2 15728.1 2256.33 2517.61 12651.02 13493.75 751.02 3199.08 2581.48 898.78 7659.81 7919.55 7937.88 7937.76 7730.44 7477.91 7599.64 7849.27 7651.94 Gln-Leu-Glu 13707.57 21028.54 14219.99 24162.05 18174.58 15277.1 1461 16898.01 13133.07 16325.04 11529.13 23911.02 27357.81 23151.42 24071.03 32301.56 21911.08 34835.99 39084.02 30090.93 12174.87 7732.61 8411.14 13241.69 12294.21 9090.84 6340.34 8741.59 15902.64 16606.56 14966.42 22598.22 5254.1 7907.88 9475.7 11429.01 10902.94 5580.51 12866.51 9136.62 35953.69 19332.53 16360.2 23103.09 35553.11 12795.36 32695.38 14699.66 8211.49 33052.02 7472.9 11792.71 14516.08 16659.57 21257.08 19268.41 12127.27 19918.7 15889.71 16350.68 15620.32 7786.24 24459.85 17668.14 21460.09 23382.49 30972.72 18118.53 24026.76 20141.77 17815.18 24262.31 15038.99 27519.91 24605.66 22071.82 22550.99 22408.09 22447.24 23765.11 22271.34 22232.62 22214.74 22561.52 Strophanthin 984.91 894.89 3503.27 3079.95 728.18 1040 2494.55 941.11 885.21 695.13 1157.5 4025.66 2913.64 2126.62 1725.07 852.32 1378.51 2131.88 752.31 2579.61 920.38 1223.6 2217.18 1524.37 953.49 1190.89 792.61 654.04 1425.24 617.13 1028.77 880.09 1153.93 1342.82 2400.63 1049.73 894.06 9628.12 1479.76 1622 1308.88 904.34 2148.57 854.13 1060.98 2290.14 1380.52 1770.66 708.49 1611.93 2065.91 1159.01 2499.2 3393.27 624.73 1845.4 801.27 987.96 1412.23 1508.08 602.77 1642.28 1406.54 2254.31 814.7 1045.54 1230.48 1646.21 1758.12 676.63 1963.9 835.02 1427.2 2795.45 2528.93 1107.12 1027.47 1072.4 1106.18 1113.18 1083.76 1053.97 1120.83 1033.96 PA(18:1(9Z)/22:2(13Z,16Z)) 15402.62 9127.25 4114.62 13482.73 5745.86 6928.11 3102.95 12495 8975.87 12688.16 10925.44 11993.47 20679.63 23012.39 13308.02 12702.52 9094.75 28508.54 24626.97 24344.12 5468.06 2139.57 1735.11 5055.19 1264.3 3742.83 808.22 1407.29 5048.63 9942.1 11484.59 19605.26 1824.94 5933.34 718.09 7823.16 756.09 2041.2 5405.28 472.86 25569.08 15559.77 7877.34 11284.41 44869.68 31989.23 11013.43 8876.08 8861.96 29290.78 11087.31 15127.85 10489.31 11584.68 24685.56 12842.74 997.12 5827.37 4514.63 3249.55 8981.04 4629.09 11560.1 9264.37 11902.67 30064.79 33769.88 9160.75 10468.86 10465.16 11706.71 13422.37 23873.28 14830.34 12874.9 20726.43 19083.45 19937.09 18905.89 21701.3 20243.88 21327.17 20977.19 19831.16 [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 14-methylpentadecanoate 3466.01 1305.04 1745.63 3012.7 1372.49 4035.54 4934.71 5240.63 2442.3 4335.73 10699.96 9906.18 6734.08 6568.64 5255.83 8022.84 5513.27 2918.96 10327.32 3148.04 2711.59 1235.03 3768.3 2802.5 3008.26 1896.25 1534.34 3846.3 3347.53 954.01 1040.61 6455.42 492.03 2966.9 2229.16 1281.34 3122.44 955.88 6252.19 1578.03 3680.82 6962.45 4756.56 6286.17 4246.41 7860.42 3868.25 3682.48 4087.3 7804.35 3657.86 4789.71 5612.24 6744.06 4889.43 1867.27 1892.37 1651.94 6052.68 1259.83 3110.07 7481.77 4773.82 4453.85 4106.42 8508.92 1557.9 4916.46 5715.26 4524.51 1972.79 3518.76 8386.15 6989.1 10265.81 5292.45 6141.13 5612.86 5554.61 5290.2 5539.02 5330 4585.07 5595.39 3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one 3962.5 3276.34 2449.07 2315.09 4992.68 3359.81 1700.8 2281.7 3778.6 2562.69 2778.65 3458.35 3533.12 2991.28 1820.32 2302.85 1702.75 2464.18 4330.42 2700.66 2042.58 292.48 1163.07 1388.08 2516.94 1073.96 846.76 1573.37 5884.33 1870.13 2270.52 1807.47 5059.77 1261.6 1363.81 3854.03 1495.49 767.64 2606.37 1106.62 7452.93 3978.33 431.08 2166.11 7930.03 2854.05 8197.07 3429.49 1738.48 3233.47 5943.99 3493.1 692.28 2142.25 3275.03 942.46 1015.18 2027.35 4721.17 2342.16 1248.47 334.14 4630.01 2194.1 1644.91 4387.23 5447.96 1267.28 1600.51 6770.14 4062.55 4259.83 485.69 1480.42 4824.13 3587.42 4734.26 4344.25 3895.1 4204.94 2428.29 3805.51 4283.74 3561.46 Tryptophyltryptophylarginine 1450.99 1831.7 2265.11 3481.12 2953.22 2143.83 2726.44 4241.93 4217.2 3158.03 4035.98 2748.45 2169.49 1105.26 2589.01 4345.54 5318.23 1546.16 5785.27 2021.82 3649.75 2996.79 1845.57 3242.27 2764.95 884.57 1567.26 1344.53 520.52 1198.54 1680.02 465.21 761.61 1680.3 1309.66 1912.32 1655.44 2513.47 630.92 1771.36 1173.92 1074.77 4256.84 1345.55 480.97 2824.61 1712.88 3346.76 2211.48 1683.9 2838.44 2088.79 4238.09 1127.62 1643.13 1562.75 3295.21 3633.23 4352.68 4642.24 6497.19 4640.13 2831.2 3341.15 3958.97 1599.97 2053.77 2805.5 4256.13 2117.6 4010.18 4062.16 4037.74 4562.11 4611.4 2584.87 2991.55 2969.41 3046.76 2490.55 2744.52 3156.53 2657.1 3050.39 Met-Pro-Phe 830.99 2558 566.56 4242.88 4423.81 3034.77 8307.24 1140.47 1074.77 1715.59 1403.06 2212.27 3498.72 440.86 1240.61 2483.87 580.54 1156.77 887.43 2904.89 2076.44 707.14 1111.96 828.89 2262.5 649.19 1030.63 435.22 1812.65 414.45 2230.62 559.42 479.02 1661.52 596.72 1946.75 380.63 904.89 384.93 1757.89 1550.23 3239.06 969.5 577.66 1486.07 4602.93 1451.33 936.74 1758.01 1429.46 928.53 2453.56 1808.6 4116.68 811.33 1198.78 594.7 1387.56 485.55 4114.33 1365.73 634.16 1992.68 3268.42 1035.62 857.69 3015.82 2517.74 1068.65 433.99 974.6 1535.32 568.35 2739.85 1851.01 1990.19 2070.25 1940.67 1976.34 1633.7 1567.62 2024.63 1810.98 2103.33 2-Aminophenylglyoxylate 2482.18 2228.35 4222.38 3013.3 1369.39 1610.39 1287.39 1442.76 2440.59 2520.12 3396.8 1799.74 1604.08 2496.19 1148.54 903.35 2940.49 718.96 1841.49 860.69 4043.46 2623.64 1335.18 2035.84 2610.75 1715.32 1366.03 1538.04 2392.75 858.42 1331.82 1836.01 1748.37 2251.02 2991.61 1686.3 4063.74 945.04 4067.78 2409.66 1476.27 1900.38 2020.26 3839.81 1288.21 3905.26 1239.08 1160.65 1017.83 1446.04 3983.88 2766.57 1471.16 3056.83 2779.21 1806.11 5027.55 3395.25 1149.87 2601.61 2137.88 1974.42 3158.47 3353.88 1394.07 4848.96 4643.97 1372.76 3481.33 2059.19 2961.97 1179.86 3448.84 1894.06 1277.59 1733.75 1556.76 1665.93 1706.58 1913.78 1573.39 1742.52 1699.45 1573.66 1-pentadecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphocholine 3132.78 2325.87 5294.56 6178.37 12984.71 13546.45 10758.91 2717.62 2052.98 399.14 727.22 1781.02 7000.18 3822.74 1113.01 10324.47 4238.34 3325.56 19863.57 1942.34 2332.87 486.36 3883.5 2654.21 3306.6 2290.74 1395.96 924.4 2811.99 1470.66 765.39 3042.68 1942.62 3898.81 2824.48 799.86 2161.88 940.99 645.8 1732.16 9867.97 1950.77 3313.33 3298.28 471.55 256.14 1015.15 926.82 1153.91 5769.64 4390.79 2133.71 2685.22 5117.94 3021.82 2704.71 451.52 693.56 736.98 2835.69 3979.01 3098.47 1268.2 1154.2 1717.52 2442.97 3673.93 1869.92 952.83 1555.66 1762.96 15453.22 3355.6 1413.59 10398.62 6283.41 6351.53 6345.25 6108.94 6274.31 6384.3 6128.82 6349.58 5676.55 2,2'-Dihydroxy-3,3',4,4',7,7'-hexamethoxy-9,9',10,10'-tetrahydro-1,1'-biphenanthrene 346.41 735.48 566.29 378.85 2284.04 1731.34 1008.94 1304.93 571.93 659.32 616.04 468.76 1267.15 1823.46 1425.65 2045.23 510.94 1493.89 2469.5 721.3 712.79 603.2 493.13 927.88 266.35 570.38 324.29 537.98 618.29 474.4 424.94 427.29 308.97 375.66 492.47 267 409.26 256.36 652.42 245.83 1447.9 2841.2 824.5 626.92 1467.43 2294.96 1307.55 893.4 403.42 888.16 351.19 951.02 422.07 2095.14 837.36 957.59 410.64 349.52 1518.74 274.87 817.13 396.76 1416.64 990.84 495.5 1207.04 316.5 834.32 614.66 665.58 935.27 890.96 294.76 1311.01 804.26 1255.79 1408.27 1603.86 1344.05 1874.63 1563.74 1536.05 1401.49 1458.8 (2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate 989.89 1310.67 1069.87 933.51 6039.82 781.89 3641.12 3149.3 2595.94 862.77 2229.28 2247.2 4796.1 656.42 3138.9 3045.38 2038.24 3226.41 5379.41 1571.58 695.89 408.66 2077.44 1315.3 1930.06 836.77 1088.18 1295.65 2133.16 1374.41 682.25 1767.12 233.37 1056.78 556.65 1685.76 1092.78 250.94 470.07 288.83 2557.44 2183.09 604.39 586.25 1338.75 3601.99 3402.68 1795.83 1400.13 3841.35 1354.2 1405.79 1363.39 1865.94 1160.08 1238.36 660.66 1670.51 2474.86 1120.09 1567.66 3584.34 2119.11 1866.37 1611.21 2931.23 2207.74 2147.64 1250.39 3294.75 2709.31 1687.97 1876.85 1068.03 1755.5 4045.69 3908.92 4328.34 4051.22 3882.64 3760.41 3971.42 3884.19 3897.75 Asparenydiol 2326.95 2754.69 487.42 1942.28 6746.99 5375.67 3199.16 4249.28 5187.81 2496.82 3769.12 3369.04 3767.84 702.87 3076.36 2668.64 1180.98 2941.63 1019.51 1961.66 2437.58 1983.47 379.58 488.62 2486.63 919.92 1519.75 1886.2 2487.17 498.68 1245.18 1482.06 2179.3 736.45 910.26 1765.19 1957.8 825.13 1811.15 1093.05 4811.06 4368.37 2723.41 683.4 2049.92 5911.25 2849.22 2331.54 1220.17 1549.5 1741.9 805.06 441.39 3179.4 3234.43 1549.8 452.63 1698.74 3170.05 1652.94 1655.61 1160.84 2729.36 2834.01 3327.59 3245.32 2268.43 1297.94 1127.33 3793.57 3013.91 2330.41 2953.39 1478.05 934.89 3389.61 2895.53 3360.45 3377.11 3185.08 3112.56 3215.97 3401.09 3373.24 Carboxin 3228.32 1098.77 1584.36 2334.03 5734.54 5324.03 5421.46 5103.76 2698.98 2545.89 3389.77 6257.12 4689.22 2169.76 2123.87 4189.79 2556.68 3225.1 5921.13 1126.78 1964.23 2146.58 1534.31 966.55 1944.86 880.52 863 1091.77 2485.72 1614.14 661.28 2803.67 978.5 2019.66 1163.06 2211.34 2359.26 375.5 2588.28 889.52 1524.4 4774.49 2475.33 2600.77 3977.18 5950.06 3413.05 1153.65 2404.38 5084.54 2266.8 2313.47 3718.09 3218.96 3464.24 4209.87 894.49 1807.88 3823.64 1620.7 1950.91 2957.64 2921.61 4201.4 4494.71 2759.41 2247.79 2429.06 2363.36 3569 1216.32 3290.31 2403.39 1998.89 4312.02 2927.19 3323.49 3391.2 3007.73 3309.19 3031.75 3745.61 3382.03 3035.01 Resveratrol 4'-O-beta-D-(2''-O-galloyl)-glucopyranoside 452.55 3598.34 315.94 444.96 1819.09 482.38 229.33 1097.11 248.98 561.12 546.71 2350.89 5239.91 4382.08 3409.63 567.04 3639.65 7289.54 5084.91 8098.77 1044.54 317.34 380.29 437.6 494.6 391.91 309.94 375.03 2010.71 227.36 3234.53 4059.72 538.72 545.8 578.28 759.18 248.96 3603.56 452.41 517.78 8011.81 2272.91 439.63 782.64 6473.56 684.63 4506.69 2445.45 241.66 305.14 969.76 3459.34 671.11 998.81 2306.28 3463.02 1110.22 775.98 839.5 879.18 347.86 494.76 3270.22 907.06 1146.06 3060.28 9118.43 2219.86 2753.25 327.73 427.02 860.43 533.01 1766.32 695.15 2166.57 2283.36 1913.77 2183.84 2300.1 2211.58 2189.61 2325.14 2284.2 1-[3-carboxylato-3-[(3-carboxylato-3-hydroxypropyl)azaniumyl]-2-hydroxypropyl]azetidine-2-carboxylate 8036.33 3336.21 2968.87 2490.32 2632.51 2804.54 1026.74 3214.38 3238.75 4303.09 2831.58 2710.63 3627.13 1381.36 2891.52 3562.89 1558.72 5111 2705.9 2859.1 4044.71 2276.31 660.21 1306.51 6577.68 720.36 837.66 1441.87 348.36 1903.89 3026.95 2911.26 5754.33 934.03 649.5 3204.53 386.05 2717.8 1145.21 480.56 10221.36 2604.05 2996.25 7688.75 3787.65 4710.13 5122.6 657.91 3942.01 620.46 3886.35 2783.5 5421.1 4532.15 7219.57 313.74 6605.92 3718.64 5850.23 628.69 2724.93 1155.65 1703.22 2317.76 3572.25 4038.87 3796.59 3455.71 2962.26 7200.52 5873.47 4472.04 5577.97 773.88 3319.48 4967.84 6058.72 5287.63 4676.85 4659.71 4782.61 4756.52 4577.71 5133.67 PC(P-16:0/18:3(9Z,12Z,15Z)) 1071.4 1022.38 564.62 1186.25 1924.17 1240.39 1092.44 9821.41 3627.64 4941.42 317.45 1044.07 2240.53 4341.77 478.64 660.13 694.5 1188.3 2621.74 508.04 499.68 1019.12 898.12 670.58 320.59 769.79 602.83 601.81 742.39 791.53 1221.59 877.56 335.29 884.4 383.58 658.16 487.25 382.66 817.14 549.88 964.19 857.19 1389.28 1594.8 808.12 1397.15 975.72 634.77 1958.46 488.34 2942.14 829.46 1277.76 1302.21 711.18 887.27 2360.46 1394.48 714.47 941.83 1858.11 1309.04 820.15 1692.31 1498.42 1057.8 811.4 1852.74 2713.9 339.33 1817.2 2160.23 761.78 650.76 383.9 1479.37 1469.1 1442.3 1597.69 1614.62 989.44 1492.1 1767.79 1566.12 13'-Hydroxy-gamma-tocopherol 7957.6 11961.45 4361.64 1151.56 3528.57 6126.41 2619.81 4370.04 5567.32 23707.72 8616.15 2619.83 6342.89 15402.5 1361.6 2227.12 13194.24 6275.46 4385.94 4719.49 4689.09 9975.37 12942.34 9540.59 1878.62 9508.15 6883.66 5289.46 13799.09 8411.67 12829.48 1304.44 6448.1 4792.28 9107.74 5265.47 10956.52 22565.73 1344.3 9886.63 4745.87 6600.02 10903.02 2741.68 2210.78 6158.05 3361.48 11812.64 9563.59 2742.81 3800.35 5371.84 5184.25 6089.84 3182.98 10963.56 11128.46 2056.35 5537.51 11103.28 1709.28 5183.24 2906.21 4368.64 9421.86 5290.81 11316.52 15092.55 7052.86 4738.16 7224.69 13430.23 8703.34 1432.56 1449.82 4735.54 5242.41 3191.29 5279.71 5348.71 6394.56 4821.9 4687.55 4441.52 3,4,5-trihydroxy-6-[(2,4,5-trihydroxy-6-{[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid 2958.64 592.23 1969.35 3226.91 2734.11 4150.67 1060.28 1579.45 3550.95 1778.31 2042.23 4005.93 5282.47 3408.02 1755.48 623.72 894.89 6360.51 5979.31 3683.43 1763.48 1496.55 1587.21 1387.26 1829.2 1081.86 1020.55 1448.15 3144.59 1427.53 1078.16 3219.26 1437.27 1633.94 1148.94 2369.88 1528.37 1217.94 1542.58 1216 1172.44 1078.34 1567.87 1760.54 5394.6 3046.48 1105.66 937.72 1149.28 2215.94 1506.48 2202.45 1462.08 1307.85 549.78 1653.9 1033.08 1196.58 2238.17 1375.7 1311.91 1648.89 920.38 2163.85 2592.33 2433.79 4969.77 2181.76 2114.01 2708.17 1184.48 2542.98 2551.53 2162.23 1229.7 1497.97 1488.24 1720.46 1477.76 1511.04 1422.16 1541.49 1435.94 1439.69 Gly-His-Val 1608.19 1303.26 1245.45 527.01 848.82 633.29 971.83 554.84 706.78 498.19 5201.82 2183.46 4064.66 2929.89 878.92 1568.29 3497.95 492.64 889.6 520.02 1730.27 715.26 2254.97 1434.83 846.99 372.3 946.1 2522.62 1184.44 1535.11 454.85 352.64 1052.13 3539.14 1426.99 625.12 1760.74 585.4 4216.31 558.93 364.46 2314.44 3027.94 4556.95 868.35 1066.38 1479.36 2185.34 1285.28 1348.01 790.09 3086.96 2763.75 4959.14 496.65 1007.13 852.3 1279.97 392.2 344 3298.37 1735.82 700.77 1021.91 2328.14 446.36 594.41 3736.62 2399.41 739.46 840.98 1098.07 4260.93 2209.69 6071.66 1628.23 1563.64 2136.07 1794.95 1722.45 1799.62 1106.05 1521.7 1724.45 7-Mercaptoheptanoate 6423.55 1651.47 1620.45 3761.45 9273.44 1898.68 6804.26 7111.44 7127.21 4630.22 7304.33 11396.59 5479.8 7497.82 6848.4 4561.49 5008.66 8731.39 5337.18 10632.89 3385.36 2812.94 810.65 1626.83 2743.95 2922.35 772.07 3081.83 2799.59 2679.02 6361.51 6596.81 2015.19 2148.24 1730.86 4650.82 2087.92 2684.71 4172.47 1303.58 6334.86 11332.45 1071.65 8393.3 11023.84 10837.35 4245.87 9342.2 4361.55 11601.83 7741.09 5425.75 6037.29 9868.93 6070.92 3831.65 2309.91 3909.61 2180.95 2301.41 3608.23 798.41 4237.09 2864.09 2063.53 8767.41 5861.7 6864.41 3909.25 6802.41 2112.43 2627.29 3591.1 3002.12 3709.01 3761.98 5000.41 5210.12 5043.51 4997.89 5009.8 5262 5057.46 5589.19 2-Oxo-4-phosphonobutyrate 387.44 3069.04 1776.86 7297.95 6721.82 8370.98 7064.82 6446.75 1106.73 8316.32 3811.12 12581.01 18969.09 6302.37 2186.88 8437.33 10370.22 7854.17 9453.74 3496.99 3598.82 3687.75 3455.72 3340.55 1091.23 2834.45 2449.3 1020.37 1718.56 3400.65 2392.97 3910.88 12015.98 660.12 4719.99 2644.64 3480.27 1774.72 2956.72 375.24 6577.22 4553.91 4919.82 7613.23 8179.38 5589.14 2626.85 4617.79 3812.36 8315.83 475.64 1798.19 5399.24 4684.64 10614.71 5485.02 3450.55 12875.03 9410.46 13519.29 7173.17 501.8 4525.89 8349.66 7687.67 8470.54 6456.5 11285.67 7426.85 1559.29 6205.99 11670.74 15043.3 11561.68 6969.21 195237.79 180329.17 156891.75 168699.33 164643.57 151534.66 173822.71 174686.44 178420.03 175311.33 168733.31 167876.47 200067.44 169802.25 149353.18 171244.17 165936.06 169707.02 183975.17 190827.72 170543.12 181511.94 169936.53 180870.08 181481.22 9323.76 9330.76 9331.36 8324.27 9138.96 9116.89 9261.81 9183.89 9115.11 3-Hydroxy-4-octyl-5-oxooxolane-2,3-dicarboxylic acid 1811.7 1380.8 2067.25 2624.44 1524.58 513.76 1920.22 1548.6 2141.05 2721.52 1683.75 3581.23 1593.02 1871.11 985.47 2548.3 1284.38 4018.36 1727.53 2734.36 848.39 864.16 460.8 1227.92 2270.99 1348.39 1116.11 2337.64 1229.83 3090.87 899.7 2193.5 2439.98 994.51 2132.69 2370.74 2319.42 413.73 2908.41 2437.28 3076.44 915.6 1614.69 2021.39 875.53 1095.19 1473.26 2855.28 1980.55 1827.63 1744.91 2731.16 2313.52 1353.56 2698.28 2447.43 1728.63 1480.55 3256.96 2832.75 835.11 1178.4 1273.84 2175.34 1910.52 1464.05 1816.74 1766.16 3712.03 3710.86 1954.23 3062.72 1796.6 4199.87 2616.85 2408.19 2197.22 2408.17 1991.5 2361.82 2378.55 2302.98 2139.51 2773.21 4-methylphenyl 5-phospho-alpha-D-ribofuranoside 5237.41 3077.01 928.56 2406.63 9082.89 13238.29 2498.15 8506.87 13022.55 2967.83 5060.1 4427.14 2639.64 7256.66 8319.85 7789.5 531.55 12578.55 2555.82 8093.05 2375.34 5934.31 1022.23 1768.05 2250.19 2626.16 878.42 1406.91 3473.81 836.6 2121.35 3724.5 2394.25 817.8 503.46 4481.37 2165.01 848.92 862.04 452.76 2495.97 3121.13 743.97 2033.54 6053.19 1767 6048.6 3330.58 4312.94 3053.11 733.98 4522.01 2243.99 1830.66 2215.3 2329.43 1159.47 978.11 5302.48 4816.76 1725.63 1715.58 7506.73 761.26 5258.01 6592.81 5377.25 718.62 6109.99 3222.91 650.55 2557.24 1055.93 2416.49 756.82 3136.58 3031.08 3332.06 3256.18 2831.96 2861.33 2832.37 3557.42 2478.86 N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide 4863.06 3481.43 708.36 1530.15 4201.71 3082.7 375.29 6279.79 5758.82 4727.63 1979.27 2454.52 2191.67 498.61 5100.33 3638.2 506.38 3711.38 1854.59 3557.45 5578.49 3676.74 477.79 1934.93 6075.23 5685.48 1166.48 378.44 6655.13 2740.27 5183.86 4986.97 4584.96 1702.62 1446.09 5286.12 4540.94 1337.43 1124.66 1280.01 6648.07 2450.08 653.15 1784.3 5812.24 771.66 2408.99 3774.9 3219.02 3528.71 4139.42 5524.27 2204.81 1899.91 2626.59 1790.17 799.01 617.19 3511.01 1022.21 641.91 613.74 5294.87 612.64 472.95 3282.79 7516.24 2187.77 2282.23 3091.1 3941.5 1563.29 1199.88 2156.27 1069.06 4204.2 3905.31 4279.17 4090.37 3822.01 3550.08 3883.42 4101.35 4118.24 4-(3,4-Difluorophenoxy)piperidine 1105.48 1833.95 361.07 945.75 715.66 818.32 358.41 1350.98 1544.67 1476.54 1823.9 981.96 1720.84 1104.2 1824.81 857.95 1027.67 3260.81 2398.57 956.7 1527.13 342.78 649.59 608.89 594.71 407 643.1 591.02 1007.23 1090.38 1144.17 826.46 820.2 781.63 574.72 985.2 717.55 932.64 327.98 559.16 424.66 1342.07 1222.19 919.07 1535.87 1195.86 1398.26 1368.1 428.32 814.03 848.61 1419.27 465.33 565.65 723.27 1264.75 650.14 911.57 1740.04 385.55 827.18 861.47 1066.24 1322.79 1416.29 918.12 1072.66 1295.86 918.6 727.09 1581.8 5154.55 1583.63 1476.39 385.65 1547.83 1173.79 1448.38 1560.56 1509.66 1876.88 1462.19 1554.11 1508.28 (2-Methyl-3,5-dinitrophenyl)azanium 4455.62 3717.63 2788.56 5732.76 4956 978.88 11893.37 6021.31 4915.31 608.71 4483.95 6715.11 9318.17 1286.98 2252.3 8794.37 6948.86 6127.61 1292.25 9203.56 3719.12 414.28 568.6 429.95 1809.18 1441.75 1203.64 2095.16 1932.97 1814.58 2353.36 2112.32 1476.85 2801.08 2173.19 1583.91 1541.18 1430.91 569.95 1988.29 1063.71 403.69 758.1 2970.11 3553.75 4057.85 7535.59 1152.22 503.48 5920.73 2417.7 2657.84 3192.59 2024.23 1297.14 753.63 429.92 3347.05 5965.38 1639.97 6523.91 11841.9 3915.75 1446.88 5502.17 3951.78 4667.8 6649.59 3432.36 3795.68 5592.14 3341.37 702.43 2678.9 20782.33 3698.45 4240.9 3753.38 3824.05 4462.32 4219.34 4768.63 4262.85 4235.2 Mahaleboside 1894.72 468.06 907.71 4750.61 3424.2 5570.69 3572.82 7654.24 5959.81 7271.98 7883.61 8905.68 5158.06 2922.76 5030.69 5161.19 3158.27 7387 4392.54 3078.46 696.12 951.86 1060.37 814.39 1124.92 804.2 615.88 392.69 1403.56 716.88 635.85 969.15 1222.46 424.96 1085.67 572.31 720.17 719.01 904.19 743.67 1911.06 601.06 373.92 2197.86 14080 2883.07 2299.07 3156.92 812.99 4058.17 853.21 3163.35 1673.45 1470.06 633.94 632.58 1653.68 516.33 1066.16 472.49 3323.76 958.14 300.11 2306.03 6288.43 3700.08 2956.45 6458.56 7057.19 5921.44 493.82 960.2 2229.74 1035.02 11985.16 1520.06 2497.56 2859.86 2790.81 2586.29 2238.19 3348.35 1850.02 2316.66 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-3-methoxyphenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid 928.29 2346.96 4313.26 995.36 442.66 3181.61 1847.42 4797.45 795.01 2012.34 4158.68 3070.77 1246.78 4987.04 2327.68 2534.73 1659.86 2720.95 2487.61 492.59 5966.64 1363.84 1984.68 488.11 14366.83 2415.89 1241.82 4228.42 632.97 1152.5 2343.32 3644.29 1667.43 4377.18 2097.22 6815.36 4017.69 1318.49 3504.88 1696.98 2040.94 4816.56 4718.69 3623.77 1528.81 6842.85 3678.63 3047.6 2799.59 836.24 1692.98 5558.13 3334.53 7319.2 2565.52 3341.76 4396.01 962.54 2032.3 10353.39 5063.91 1962.14 3271.17 2970.1 2461.28 2642.39 1430.55 1337.7 1924.8 3760.9 1802.27 4805.31 2939.45 2474.53 1188.96 2696.56 1083.87 2962.13 3070.05 2949.02 2780.11 3216.96 3214.47 3171.58 His-Met-Met 14914.27 5478.69 1894.2 1942.48 5034.88 5466.85 3068.24 10591.09 10188.02 4228.45 592.1 4454.73 2003.5 2606.75 6505.75 1548.4 947.82 10140.19 5326.14 882.71 14970.18 3042.59 2993.58 2786.16 7062.08 2044.52 1922.04 559.8 2559.21 9356.16 1036.12 4341.02 12754.16 2781.57 2576.69 5151.26 7061.45 1606.19 2480.59 1045.8 4459.2 7571.71 2212.78 2036.18 8290.5 3627.98 29450.92 11634.65 11876.23 6729.41 4786.36 3865.97 2203.82 2765.8 4295.61 3731.74 531.22 1386.82 2995.5 4067.08 3337.48 3721.7 4608.88 2520.27 14635.46 7490.37 5691.94 1816.72 9115.15 3647.85 16383.96 3370.98 4787.66 2519.42 2535.4 3307.06 3757.96 3979.06 3725.64 4562.71 3554.1 3969.94 3919.75 4057.5 Zeaxanthin glucoside 12665.5 16941.08 2765.91 3239.74 12167.99 10868.74 10705.48 9904.13 14557.39 11679.79 5219.07 7837.77 14529.7 14545.13 2271.04 8961 482.01 21966.46 26999.46 27397.15 2576.99 995.59 4238.97 2882.63 3414.18 2941.67 2715.94 3128.69 9433.85 1535.38 5667.5 24406.5 1365.1 3293.04 3504.61 8843.71 731.33 648.24 7602.73 922.46 7895 13112.26 5676.14 5638.06 25742.65 16214.3 21459.65 10799.35 10446.41 32155.83 10736.44 12838.54 5768.02 11273.21 7716.02 14325.74 6222.95 7355.56 4266.92 1276.53 1187.79 4628.9 12782.78 9084.44 8707.38 18860.52 20981.91 2418 3189.59 4226.14 3681.44 2435.58 1678.8 12353.43 15198.14 15608.44 16542.56 16342.33 15695.98 16336.45 12585.52 16377.38 15588.27 15953.89 Bis(3-azidopyridinium)-1,10-decane perchlorate 681.14 634.61 1644.46 1727.42 1794.78 2429.48 1710.32 1958.91 2504.36 2134.79 3337.44 1081.3 4076.58 1492.49 2511.99 1464.11 1562.51 1856.29 936.12 1507.26 923.31 782.08 808.33 844.4 1285.1 950.99 4348.52 4515.58 1821.25 1649.6 1475.85 1348.17 1569.69 1654.99 2299.09 769.43 1454.83 637.45 2454.64 1352.03 2146.71 3806.91 818.57 2886.86 4067.25 4037.6 1767.14 1045.1 4233.82 1689 3452.71 807.53 791.48 2145.11 883.77 943.37 1895.95 1440.57 833.2 1681.19 1981.7 2218.62 1813.39 1889.9 2793.55 3397.3 1198.7 903.64 1355.66 1990 1095.22 1272.51 2208.76 1520.32 2740.58 1367.61 1458.03 1352.75 1577.93 1574.19 1926.87 1422.83 1445.57 1586.11 Dibenzepin 617.3 1169.49 1649 2407.73 1541.3 1184.09 1508.2 1940.91 3642.11 1726.93 1557.57 2512.29 2161.6 1333.88 3353.44 2554.94 799.4 1715.91 3467.2 737.95 3860.12 949.75 1007.44 994.7 1686.6 857.1 750.61 1859.89 1149.66 1285.55 807.01 824.12 729.79 942.17 524.58 1514.91 990.81 707.1 1064.71 997.47 940.64 2272.01 2106.66 992.88 2596.31 1850.81 1216.18 1574.17 493.9 1061.78 1674.72 1350.14 1253.55 1588.35 2447.24 1807.83 645.94 744.6 2113.24 1290.84 1018.22 878.16 2666.16 2784.61 1165.85 2358.01 2766.55 1142.22 1888.8 1548.71 675.71 840.06 1231.47 3334.63 625.64 1296.6 1276.65 1350.22 1267.5 1499.77 1271.2 1337.28 1272.36 1099.64 Tyr-Glu-Asn 2906.42 5943.4 1733.36 3956.45 711.84 4863.42 1619.27 2071.01 8328.37 2761.62 2612.78 6606.43 2953.97 2672.02 5658.95 4009.33 847.22 5715.31 3865.42 533.06 2167.16 1435.66 1233.28 1630.43 1571.49 1486.04 923.65 1619.85 1145.7 1489.76 2208.08 2021.74 1323.47 679.02 1428.19 2229.35 1861.55 678.96 2392.08 1052.71 1616.08 2951.67 4791.6 5228.89 7134.59 5494.49 6219.23 4776.84 1592.5 3282.62 617.36 1465.57 4454.09 5615.72 4278.06 1719.49 366.89 1634.56 1801.96 2201.5 1146.55 631.7 614.21 4639.61 1804.03 2252.21 5146.65 699.12 2732.77 279.81 424.21 930.33 2468.79 5162.06 2845.03 4241.37 4665.29 4666.42 4194.43 4265.13 4684.03 4712.75 4643.29 4681.76 Thiamin acetic acid 2931.73 13570.33 3275.29 17139.46 4375.33 632.41 10639 1800.06 11642.63 669.4 11994.96 14047.47 9080.48 2524.95 9758.72 15596.83 2042.54 16719.59 1637.14 3982.29 40099.46 1613.05 3766.62 9649.32 2240.08 1403.69 669.46 5922.09 2290.65 9095 1045.31 883.5 1534.41 5363.21 6227.84 977.28 13537.75 741.13 10533.64 7100.68 6821.8 2977.91 8628.27 3477.31 637.8 13841.39 12929.76 2787.72 597.29 2729.05 3600.01 14156.89 13167.06 14040.84 6875.84 680.59 2073.12 2323.32 6927.69 18922.32 4667.31 7662.41 17363.63 13450.89 13429.88 12302.7 9613.43 10631.32 14399.42 9147.93 5210.06 8543.45 18784.97 7993.49 11082.51 6959.34 4463.96 7290.36 6815.29 6958.21 7256.71 7327 6626.4 6539.45 8,9-Dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol 2316.13 2320.21 1065.61 8075.14 1710.77 1861.18 1618.66 5337.76 3702.16 2648.95 2101.91 1661.72 1993.73 1253.25 6464.09 2883.65 1033.02 2528.31 2536.87 4616.06 3960.87 1008.53 2505.93 800.49 2259.81 1010.01 819.84 1517.76 3280.42 1490.24 2743.51 2628.53 6590.48 1172.41 633.06 3035.58 1182.91 451.58 1261.17 923.83 3213.97 2066.45 1109.79 1116.75 4708.2 1364.52 4557.4 3056.19 1767.66 4309.63 1646.6 16903.25 731.58 986.73 1367.38 1243.53 843.25 781.16 847.8 857.39 1232.53 1413.8 3570.64 2143.45 6141.72 1860.01 2457.41 1604.46 2354.21 2436.89 2910.19 2192.28 2403.48 897.33 1759.54 4634.73 3388.29 4275.28 4724.74 4605.93 4594.67 3842.46 3821.67 5097.98 Albendazole oxide 2950.34 668.01 1654.1 8737.74 4992.66 4724.51 4820.76 11280.58 11551.49 6102.74 10672.31 12976.36 9329.07 6225.87 10049.93 10623.38 9324.79 11700.84 11945.89 5383.87 3672.03 651.57 1333.05 1601.45 3206.47 1046.64 2459.97 3760.6 4386.42 525.25 2396.69 3326.15 600.47 2408.67 3564.42 689.36 4063.18 1177.23 3833.57 2573.52 4161.35 2809.75 8821.79 9117.48 8479 6912.13 8367.47 7069.09 999.14 5406.44 939.88 4039.23 1818.5 5458.56 4277.09 534.82 1984.55 1857.19 12438.44 3500.61 8242.63 6405.33 6911.57 11708.74 11695.67 10307.82 9980.29 11097.24 9162.07 7688.67 4659.47 9451.55 9104.23 7739.84 9855.99 8111.4 8020.63 6278.39 8321.19 7845.41 8042.17 8331.94 7814.51 7872.77 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one 3287.46 4176.8 5171.28 3788.56 3676.37 2818.22 2015.07 4622.19 3880.98 1506.35 3380.73 2203.31 6643.05 6164.79 4004.66 1440.75 3239.63 7123.36 7718.52 3411.52 3677.21 2605.18 4587.42 3947.33 5249.32 3323.82 3628.69 3190.72 2223.78 3559.81 1814.24 4232.35 3107.07 3824.53 3553.56 3251.15 4137.43 2105.27 4466.14 4095.29 814.43 3413.31 6136.22 5908.55 3172.59 2646.66 3932.06 7916.34 3429.03 2126.51 1202.76 1204.76 1568.33 3093.08 7210.69 3506.6 4551.71 5745.35 3423.09 1133.04 6032.23 5642.47 1372.97 1223.32 3050.74 9634.88 3404.96 4752.96 2611.01 4018.75 1983.7 1325.26 721.53 3661.19 1091.18 2575.37 2533.33 2460.94 1488.58 2801.64 2679.65 2531.41 2625.93 3094.64 [(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl phosphate 8275.48 6687.62 2004.8 695.52 9741.06 5156.21 3907.08 8481.81 11044.83 8299.98 12058.29 9322.69 802.01 6782.84 15685.25 14931.86 2964.98 7215.04 15528.48 41362.82 7825.03 930.19 1815.81 1721.31 10054.69 9043.88 1107.21 3843.16 5307.04 8138.44 5682.89 1942.39 4670.62 645.7 813.06 5609.78 6090.78 999.88 1988.48 2468.55 18913.58 8676.24 8918.93 2682.9 18976.58 4982.14 47674.13 3732.45 6969.66 5591.74 7754.58 8376.01 4032.87 4686.68 11762.25 2994.06 529.08 2015.03 6253.14 2642.87 3552.56 2070.46 6203.74 4910.42 2799.83 8704.13 12577.86 1997.19 2047.97 14041.19 36890.64 4627.6 6029.82 4193.62 9740.8 11660.53 10707.61 12578.55 11887.55 12821.38 14267.84 11893.9 11651.05 11574.07 1,6,8-Trimethylallantoate 1432.95 1981.75 1283.4 2337.11 1863.4 975.11 677.26 2979.22 3756.9 3360.69 1859.96 5049.95 976.23 780.68 2786.29 2237.01 736.57 1575.96 4870.15 317.18 744.32 1097.75 347.17 300.26 578 338.26 954.27 1761.08 1891.5 372.21 438.64 1540.88 399.51 550.82 992.21 273.9 1019.91 338.08 2129.27 718.84 793.05 3221.27 1005.35 3308.6 2681.64 3728.48 838.16 553.11 1198.68 2491.47 1413.5 1197.61 1306.28 979.85 2092.52 493.44 387.38 552.77 2432.68 1183.15 487.52 2665.19 2095.72 2383.13 841.91 2919.74 3138.03 1156.05 1715.1 1398.7 395.65 313.92 395.35 2291.54 4455.7 3289.94 2863.19 2866.98 3003.48 3009.55 2382.02 2882.33 3232.93 3009.57 Asterrate 1018.56 2898.46 2657.18 2030.19 4132.01 754.41 856.21 8139.4 8077.17 2692.62 9764.7 9187.87 3284.17 1434.27 9189.31 11038.68 6453.84 9211.41 3066.22 7891.04 2701 1011.06 1207.23 3827.55 3123.24 815.52 1397.94 366.74 1067.14 3353.44 5038.63 4981.22 1311.34 5139.28 3287.39 2146.21 2531.45 1922.71 2825.59 3961.88 7864.25 3189.12 4960.32 6404.79 2104.77 9969.45 10809.54 3998.26 1325.8 7534.07 5067.41 3863.1 5993.84 6533.26 1924.51 1494.79 2903.92 1823.45 5581.7 552.74 513.7 6039.61 11404.74 4425.71 3242.09 8768.2 8132.02 3650.43 11114.32 4042.34 3195.22 6486.62 6308.11 5081.15 1301.28 3943.67 6013.09 6044.39 5929.86 6782.24 6159.41 6429.81 6029.79 6501.69 Hydroxy Ritonavir 1037.17 948.31 559.74 2221.54 2211.95 868.63 1083.13 1458.68 980.83 721.44 989.71 1320.47 1206.38 1500.67 943 3228.59 461.84 1247.57 1244.95 814.69 503.79 1042.35 474.4 1007.35 849.7 1361.82 1395.08 643.61 1621.93 1404.17 1050.71 2153.68 977.77 1041.56 781.54 375.02 881.68 893.47 1774.14 1504.44 397.91 465.16 492.36 1951.36 1403.12 956.5 1034.57 913.75 1024.1 1137.96 1421.62 1038.51 1698.97 562.34 574.22 1420.72 509.71 1342.34 1877.92 758.63 1546.22 1140.34 589.08 696.83 1133.51 2005.91 937.51 950.93 1420.97 2051.99 3645.78 579.51 877.89 1222.45 650.93 1760.49 729.06 1491.66 1686.07 1743.81 1407.05 1773.44 1702.16 1681.36 N-[(2,6-dimethylphenyl)carbamothioyl]thiophene-2-carboxamide 3846.02 790.21 2437.83 3512.54 7758.83 13780.55 5818.59 13146.48 12167.46 8482.32 10808.93 16812.2 4067.93 4381.48 4058.39 5777.91 5033.97 10056.04 12375.75 6744.21 2230.12 3721 1047.32 1746.27 3956.24 2205.8 845.24 1875.26 417.64 1361.23 3528.41 1714.13 490.84 1913.06 1068.97 1472.23 1183.09 1054.42 2904.08 1555.12 7363.63 2077.33 5161 1877.31 20065.34 6369.88 6522.37 5080.78 2252.84 4731.64 784.62 2198.54 6041.49 2224.05 967.14 2677.71 546.82 1291.97 11013.57 2740.25 4087.27 1903.26 1385.05 3015.53 6805.61 8933.99 2187.33 6487.86 2014.01 3931.58 4676.45 7194.9 2266.96 3364.21 4062.15 5426.73 5071.1 5223.68 5850.76 2845.32 5153.57 5022.98 5049.22 5466.91 Dioleoyl phosphatidate 1667.33 3657.29 1140.2 1029.96 987.23 1361.19 890.22 818.56 431.84 652.87 358.47 482.99 1553.89 2620.85 5469.19 279.94 288.6 8281.26 2402.11 5223.42 898.4 874.73 631.34 243.7 1031.51 465.7 657.08 544.05 1097.25 1274.11 1588.03 2588.13 693.24 570.51 336.11 688.19 774.42 417.53 758.34 310.63 4696.16 2992.9 529.84 1707.95 6153.99 653.95 4922.7 1021.51 665.43 3285.41 1481.47 437.47 449.82 673.84 988.62 5062.38 434.95 651.65 729.22 1107.11 646.27 421.36 3031.91 660.34 1753.62 1548.03 8187.31 1401.73 545.15 452.54 864.58 1468.94 421.83 632.51 1390.12 1910.04 2085.82 1817.61 1488.37 2027.11 1936.42 2193.33 2113.12 2172.31 NCGC00385102-01_C18H16O5_2(5H)-Furanone, 4-(2-hydroxy-4-methoxyphenyl)-5-[(4-hydroxyphenyl)methyl]- 3772.94 2371.24 3402.91 2482.23 2043.05 2124.25 3079.98 1065.86 961.02 1329.75 3266.95 1163.74 942.86 1788.43 2794.88 1067.13 3130.25 1339.37 1091.22 1832.77 3260.82 1308.89 1317.61 1205.16 1226.2 671.13 1176.42 1618.47 546.29 899.67 634.7 510.59 1241.08 3158.77 2002.52 1546.2 3547.17 1210.36 3130.89 1698.26 2183.11 2301.15 1757.12 2941.53 1058.11 2902.39 1267.88 2937.41 470.27 4172.62 2558.71 2251.48 2275.69 4284.64 4190.57 377.55 1017.44 1282.8 3014.65 819.2 2115.89 1118.41 4080.16 557.05 1596.75 2362.03 4679.1 1280.11 1869.55 963.42 1367.51 1187.8 4927.21 4527.92 5122.29 2880.76 2880.02 3010.58 2998.55 3020.91 2685.99 2865.96 2827.5 2891.45 Selumetinib 3744.27 4904.55 3611.18 4004.39 4333.6 5005.37 4565.3 4348.56 8527.25 3073.15 4688.26 4625.73 4936.84 5573.55 5184.45 4843.39 5391.11 6240.02 5680.48 1051.46 5580.08 9217.95 6228.29 5091.35 6359.65 12556.01 2080.52 5720.32 5779.26 6157 5339.2 4614.01 9355.46 5652.47 4238.47 2478.1 5903.37 5287.32 6394.12 4823.97 6071.86 1429.99 6039.11 4874.85 3043.12 5848.68 3728.65 6283.04 4128.93 3806.92 6055.91 6443.24 1579.49 6282.71 6620.57 10105.19 1643.5 6260.39 5762.48 3648.27 2477.5 4691.64 6918.09 5232.17 3968.46 3855.74 5382.09 5741.35 5659.57 5663 4606.67 5529.28 5067.95 5313.46 13273.48 36928.06 36123.08 32456.81 39259.53 35568.89 34429.69 40675.9 40216.72 35451.15 40391.14 35068.33 47580.78 43340.17 36961.59 33199.65 43881.86 34012.91 46073.87 50491.73 32133.6 35029.4 35384.42 50233.76 35615.24 40365.61 4742.21 4664.44 3895.49 4679.62 4503.86 2697.35 4454.42 4438.28 4662.1 2-Acetamidophenyl phenyl sulfide 9354.79 11000.76 2538.33 9044.02 16739.66 2636.48 11227.6 19778.89 17586.81 12199.61 10634.61 16721.88 11799.49 8996.56 13237.22 14297.14 8479.62 20508.23 12560.98 11998.94 3879.68 3968.82 2207.4 855.59 4110.82 2476.73 1724.35 1661.62 3710.59 2613.22 3209.06 2730.85 5229.81 1188.64 1855.05 3637.1 3198.89 530.26 7241.38 690.95 6436.67 10124.7 3186 9195.08 13184.17 14092.68 2271.06 8876.36 3773.69 10056.5 3363.84 7103.54 6128.16 8275.33 11113.55 10140.86 1502.36 2608.8 13909.57 6661.17 7355.25 9149.02 9900.62 9723.79 9643.76 18036.22 19065.29 11494.98 6277.93 12027.51 11352.61 9403.39 5578.52 9467.34 2503.32 9763.3 9868.84 10226.28 9860.96 9756.93 9219.25 9148.31 8727.84 3038.02 3-Bromopropyltrimethylaminium 1433.65 1590.44 1331.56 1541.18 554.32 11577.15 9811.65 1518.83 392.55 6725.11 7567.61 467.65 1289.28 510.85 675.19 762.44 2132.42 910.79 833.79 1075.18 1298.24 3156.26 3754.49 1600.55 309.69 1353.23 2295.51 1636.58 637.84 2055.22 563.73 442.65 992.53 3665.69 7459.05 972.17 793.04 850.03 9316.42 1346.59 604.67 527.43 2056.14 1889.91 689.35 593.12 510.5 781.95 895.84 1469.6 949.16 910.24 2355.82 2796.58 327.21 1226.15 3709.22 375.93 383.48 11747.02 4571.79 4811.69 308.26 334.51 1873.4 367.27 537.64 357.34 1650.11 392.61 675.63 5920.91 420.06 391.14 2307.44 2153.24 2035.29 2059.08 1953.55 1870.19 2057.33 2046.93 1785.14 2061.03 N-(6-Aminohexyl)-1-Naphthalenesulfonamide 4050.6 9509.57 7065.14 2356.79 4829.87 10205.79 4198.66 2800.1 6822.83 3672.95 4055.79 4055.08 1280.88 1632.88 4489.72 1612.55 2867.67 4361.67 4836.06 3318.5 2522.37 9286.75 5108.96 851.65 3240.29 3838.62 1374.52 1420.89 5970.58 1677.07 2709.62 3069.32 6667.08 5867.55 4376.65 5372.99 2895.68 4181.11 2470.77 4121.7 4689.37 4925.29 4626.85 1408.49 2351.06 2828.57 6222.95 2768.11 1981.2 3806.15 3430.75 4219.12 1947.55 2333.32 1814.1 8926.27 4153.7 4170.18 4550.76 11282.92 1068.24 5698.04 4567.13 10766.11 10233.86 2644.13 13332.94 1521.28 2490.92 4689.4 7151.12 7891.85 1121.98 6216.51 1865.79 4765.9 4949.54 4932.6 4973.83 4954.2 4753.54 4265.31 4731.19 4955.2 His-Pro-Asp 584.28 800.92 1249 364.84 2705.64 1338.35 2532.61 796.47 832.69 2654.68 3250.79 2091.52 4017.43 2099.18 528.28 3425.92 1187.94 492.36 1542.78 1106.81 791.59 858.29 795.77 1653.48 475.43 464.87 1781.78 1243.16 1029.19 2583.82 535.14 1418.58 866.67 1533.85 1532.13 639.36 442.66 1050.87 2783.01 825.86 1049.79 2050.82 1077.29 907.62 2009.87 1500.42 807.51 3148.05 2516.56 2416 292.62 1942.34 2652.07 1939.7 362.56 873.7 1386.44 2284.07 554.12 898.64 2007.95 553.96 315.22 680.42 1224.51 754.19 823.42 3756.55 1230.8 547.66 746.86 1914.27 859.35 1805.53 3452.56 1701.94 2346.41 2000.28 2307.62 2305.6 2575.73 2281.1 2016.25 1976.74 (5E)-5-[(2-methoxy-1-naphthyl)methylene]-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione 2557.62 1579.42 2017.89 1730.22 1922.41 1477.35 1569.15 4498.96 997.06 1720.66 2489.76 1531.77 3056.14 2557.02 844.71 1868.55 1128.1 3352.25 1077.37 2384.25 2590.13 2529.08 960.08 1136.19 1276.4 1122.38 1559.44 1061.7 594.28 2252.97 725.12 2644.83 1240.3 603.94 2097.25 1512.94 1384.38 2389.93 1298.13 3507.09 2460.94 1086.2 1244.42 1777.41 972.05 1040.22 2719.04 1440.82 2324.77 2054.55 667.54 3319.91 3121.67 2941.87 625.71 1929.63 10432.3 2671.92 1320.06 2763.39 1544.34 2770.15 4870.72 2438.52 1068.67 1245.18 1440.92 1459.32 2636.7 2720.95 1890.81 752.79 3149.7 2217.67 1775.22 1428.98 1399.3 1489.38 1416.76 1499.19 1436.35 1489.93 1561.95 1490.76 3-Methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate 20297.81 14751.45 6886.62 13883.59 6936 16818.56 2255.6 8965.22 17307.76 8566.19 9146.67 16299.36 15328.76 22356.04 19566.32 12165.34 7417.8 25114.1 49857.06 14959.83 8131.09 8827.31 11519.1 4316.13 2389.74 9327.45 2980.95 3991.68 11549.05 12801.05 18101.01 32087.45 4497.07 10871.01 6452 12291.41 5125.92 4250.18 11832.07 4636 11102.34 22885.31 7186.57 8204.55 45541.37 29765.98 9466.66 9097.46 12441.35 30118.06 20375.28 24249.46 9498.94 10534.17 15141.28 14936.48 2264.8 3627.17 3584.29 4929.24 5724.18 6641.33 16728.98 6303.11 6412.98 23335.8 34856.09 11697.73 4734.69 9968.88 10045.77 10503.29 4362.53 5300.76 9255.22 13733.51 13596.43 13294.94 13276.57 13774.64 13772.42 14938.93 13804.89 13090.28 S-nitrosoglutathione(1-) 8537.52 4509.67 747.03 3592.34 5064.77 15279.86 4924.41 9489 3433.38 6027.19 8512.12 7605.37 2744.31 4899.29 2502.02 8250.4 1284.07 10173.2 6993.66 10085.57 4621.45 1522.71 1721.35 7962.57 4198.95 6381.54 1350.58 3781.71 5880.15 3086.48 3116.37 3321 2452.4 1221.81 1456.57 7118.32 5766.99 685.99 6850.07 2139.07 3692.14 10336.98 2835.36 4356.57 2793.83 7535.04 12251.86 8254.02 5786.18 8071.18 2255.07 10289.35 4341.47 5031.57 10811.91 6787.44 4262.31 1929.2 5087.64 1180.2 4890.21 1629.07 7401.06 4136.11 8455.23 9864.65 11034.07 4823.93 1646.68 9389.05 10690.17 6996.95 7580.85 6273.09 3394.71 7234.93 7561.88 7565.66 7580.92 6388.24 7149.24 7214.46 7236.17 7213.81 2-(Imidazo[1,2-A]pyridin-2-Yl)-N-Phenylacetamide 1919.4 2305.7 1432.82 3229.52 1182.69 1651.54 750.89 1079.65 1551.34 1964.09 2025.41 653.47 2556.45 3487.28 2658.88 2594.7 640.76 1533.35 2085.11 1595.15 2137.16 2848.98 3542.44 3507.16 1604.33 1735.79 3172.4 2617.86 1136.73 2218.56 1858.21 1476.26 2233.25 2837.69 3228.09 2479.42 862.45 1240.34 3886.38 2628.81 2161.02 1623.52 3466 3043.37 1717.97 1488.07 1500.65 3917.86 3156.35 1141.35 793.46 3081.72 3736.98 1962.18 2083.29 2146.2 970.6 3061 873.09 2305.35 4806.44 3963.25 1615.33 1841.16 2613.96 3153.24 1943.92 2842.26 3679.49 1891.9 1608.95 3292.19 1103.24 3930.22 2751.42 1866.15 1754.65 1873.72 1893.03 1708.73 1681.2 1714.63 2196.58 1703.09 Met-Val-Phe 635.43 790.77 371.63 602.4 3567.56 2600.06 2193.87 2816.09 3375.91 1304.48 535.2 1271 2752.14 616.5 1633.19 1120.74 1103.2 3100.49 2116.58 554.07 1553.07 1273.22 769.64 633.47 1903.55 832.76 508.16 497.1 1383.63 720.42 1004.9 1048.24 822.62 828.7 1025.25 1299.32 379.15 384.29 866.07 868.45 1169.25 791.77 853.47 536.41 2449.52 1911.48 1822.53 1779.35 777.21 887.92 1376.22 524.66 1301.85 1147.96 1074.23 357.99 680.13 778.64 1081.89 934.04 996.65 1286.69 2182.02 1073.44 846.07 3274.66 2101.92 1154.22 599.17 1364.98 620.78 1517.19 963.65 3125.54 808.21 1525.95 1910.71 1163.4 1262.19 1396.9 1743.59 1581.72 1578 1556.44 [2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone 1178.03 1162.55 517.74 1496.97 1640.87 2312.66 1842.87 2033.57 475.84 1441.76 1044.78 2416.47 1122.61 1136.29 3770.8 1142.53 1464.11 1251.5 928.52 1497.61 2363.16 1917.06 489.4 1616.98 792.99 679.46 834.95 597.65 1242.83 449.19 3935.62 3887.34 724.88 616.28 558.21 995.23 821.58 791.67 734.34 675.67 1129.26 915.28 1149.2 1268.8 614.95 1372.76 1045.35 429.77 1801.87 1127.16 1549.48 1271.94 900.63 810.83 1925.22 833.5 1343.44 1355.14 2573.97 1600 816.11 2059.79 2030.93 1161.98 424.7 1038.08 1402.5 1610.01 1143.91 1620.06 1429.69 5144.67 1183.7 1430.31 547.66 1286.24 1492.05 1278.66 1673.43 1568.44 1272.53 1134.95 1053.69 1401.48 PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) 1606.38 526.42 579.71 8363.03 14540.63 4877.29 8217.58 2131.21 1185.91 302.03 595.3 1777.26 5012.96 352.58 791.35 3586.93 964.26 165.89 1370.78 740.52 89.99 141.66 681.11 182.04 343.52 264.59 553.05 244.14 185.2 148.61 160.5 2067.1 918.74 148.71 102.18 726.04 383.28 801.21 292.51 373.72 15845.94 1592.06 292.25 149.58 224.8 3743.01 760.21 472.95 818 1353.51 1610.21 695.3 567.55 876.44 546.69 383.02 807.42 188.27 1169.4 2916.14 863.62 268.88 663.05 873.82 106.44 1540.32 145.09 568.8 195.78 157.49 813 1740.79 401.76 803.17 338.34 4083.37 4309.05 4043.57 3864.55 4258.95 4202.98 4357.95 4475.82 1916.15 Dimethylenetriurea 5161.19 8302.39 2311.91 5663.36 1460.37 4390.49 2188.46 1638.98 2039.41 1891.97 1728.9 3370.98 6421.14 9642.83 6782.04 3093.55 4794.92 13175.14 6158.06 6772.28 1006.86 1702.75 872.86 1230.97 704.28 1131.99 371.8 797.89 2950.7 2146.99 7697.95 13132.51 2771.17 1627.59 972.52 2029.34 995.64 693.81 828.53 486.25 8245.82 6948.01 2422.96 3860.25 12539.83 5813.77 4311.08 2042.13 3127.31 15827.14 4757.31 9568.84 2658.9 4948.31 5015.24 8687.43 1890.3 1946.75 1069.29 1904.59 967.33 822.56 4948.43 2315.11 3399.93 6115.08 16234.55 2544.2 3703.5 1828.51 1965 1988.17 1279.07 3970.61 1810.39 4935.65 5021.43 4837.72 4915.31 4956.52 4903.05 4955.2 4947.33 4900.77 (1R,6E)-1beta,2alpha,3abeta,11beta,13alpha-Pentaacetoxy-2,5alpha,8,8-tetramethyl-10alpha-(2-methylbutyryloxy)-12-methylene-2,3,3a,4,5,8,9,10,11,12,13,13aalpha-dodecahydro-1H-cyclopentacyclododecene-4,9-dione 2084.34 286.12 1083.38 1712.24 2807.7 2775.9 2874.85 3287.49 1361.91 1966.68 1028.7 3559.44 3787.47 3338.11 2985.84 2806.06 2977.34 2706 5565.68 2942.77 4803.1 1254.27 3141.27 1558.48 2868.99 1236.6 506.14 768.47 2643.92 1492.54 770.88 3236.91 1980.42 769.66 438.17 3849.72 1753.31 1439.38 875.81 655.69 8532.95 2548.34 4554.12 473.65 5274.25 2782.9 1672.99 1387.85 4067.35 2601.4 2084.69 1921.6 1249.05 647.69 1925.76 2332.65 460.25 839.54 7451.66 1712.03 858.13 1485.21 1771.18 6962.31 1138.9 2155.79 2765.72 962.69 1807.08 4676.3 1664.41 2147.7 1025.94 1159.42 4424.63 4734.01 4368.82 2721.14 6382.74 4593.48 4268.62 6013.16 5088.15 5159.61 2-(3-Fluorophenyl)benzonitrile 3418.41 3206.12 4186.33 7414.64 10835.34 10032.14 5393.47 11257.76 9085.81 8590.93 9518.52 14178.3 8664.49 9209.7 8718.3 10159.83 6537.08 9284.47 6734.91 8708.31 3046.02 1698.41 6338.91 4713.34 3488.31 1906.69 1721.87 8188.76 3792.25 3349.98 1979.47 8288.09 3207.25 5143.59 4134.37 2388.95 2495.85 1456.73 5993.18 2263.14 9005.38 7935.74 7226.71 7512.57 11937.59 8358.16 9457.74 7379.42 6268.51 12253.21 3350.64 5910.21 8634.77 7229.72 6046.43 6000.75 2034.04 4464.57 7219.1 4583.22 6462.5 6189.51 4922.91 6659.57 7480.27 9159.16 8689.81 8949.78 8254.13 8170.05 4564.49 7593.14 6717.74 8398.49 5719.83 7381.26 7461.01 7638.26 7667.55 7375.13 7642.92 7542.15 6937.98 7839.6 4-methoxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzaldehyde 1425.57 829.34 345 353.11 1428.53 1534.4 1663.91 3217.48 5692.71 3416.98 1222.78 1850.89 982.31 870.47 1836.98 1767.78 263.46 1794 1831.73 4898.18 1612.22 533.47 488.51 696.95 773 1992.73 280.25 1050.93 1442.46 923.45 2117.24 1079.48 1256.18 584.59 687.69 1521.39 1399.21 328.25 706.32 1128.57 4884.33 2555.6 378.44 1369.87 4020.52 737.01 5849.34 465.44 952.89 1272.15 961.94 789.7 504.7 487.16 1482.07 1036.27 489.11 468.82 2134.95 860.94 698.64 773.87 1589.15 1199.59 1261.06 2659.94 5042.74 740.2 1140.79 2024.06 4988.5 1726 1474.85 1004.92 1106.71 2877.25 3286.12 3290.34 2960.95 2700.92 3060.93 3291.06 2981.85 3395.7 Diquafosol 844.57 883.53 903.43 1842.95 1561.23 1523.77 2074.03 1170.21 958.47 1033.91 657.79 2796.55 4776.3 1727.15 997.29 1300.56 636.14 939.01 1498.58 628.36 803.28 1630.84 308.59 339.13 778.91 1006.01 445.02 1094.08 902.4 774.4 813.52 4673.5 670.56 421.8 303.15 675.6 676.64 411.03 936.18 856.06 648.69 1162.97 863.71 2066.14 1086.49 2450.02 926.12 845.3 724.24 314.82 340.14 349.1 390.77 859.95 1047.62 925.46 3609.34 4072.8 863.96 578.12 990.82 2364.09 476.07 1288.34 2238.53 1391.72 697.55 4182.19 1244.36 1471.67 609.94 1533.76 320.29 716.89 2436.83 1518.33 1611.99 1616.65 1519.29 1015.19 1618.49 1561.03 1610.24 1584.85 alpha-D-ribose 1-(acetamidomethylphosphonate) 5-triphosphate 815.22 2373.52 982.48 1097.49 2335.19 1579.55 944.6 1325.53 3748.25 2158.19 3818.46 2413.4 2207.11 575.2 6601.7 3533.73 6215.93 1740.65 647.27 6912.38 2059.02 390.97 792.56 1024.98 1520.07 1295.32 549.07 497.04 1312.68 877.05 915.06 478.71 2397.3 840.71 825.23 1280.4 1830.13 510.9 308.14 1019.64 1839.09 1925.27 2467.2 965.53 2667.51 1922.89 6353.56 5744.6 1206.03 1765.23 1327.04 719.39 762.82 2388.88 866.88 6571.22 911.34 1724.32 8528.16 5902.86 1725.2 1459.28 4974.78 2510.51 7152.48 745.37 5727.23 1510.2 4880.91 6914.78 6713.7 2898.13 6912.93 3760.28 2107.83 3391.98 3136.59 3414.83 3389.57 2971.78 3178.38 3590.96 3135.45 2991.4 Diethyl sulfate 1587.37 1334.82 4378.43 2001.44 2462.9 1482.64 2773.84 800.68 1851.34 1624.74 3025.94 1886.57 3083.87 3012.3 1415.97 2259.84 3921.85 1806.06 3153.39 1667.49 3535.11 1874.01 967.3 7925.25 1416.95 2437.14 3924.81 2505.58 2662.94 2947.62 2387.22 1902.84 3466.82 3145.44 3717.76 967.13 936.59 2819.11 2803.27 891.68 1485.07 4091.81 3283.97 3445.83 3379.49 2066.73 2131.24 3589.98 3049.35 1933.18 2793.31 1963.89 3015.79 7407.81 2132.38 1421.86 5898.91 1267.69 1910.34 3200.85 3694.84 3098.92 2983 6564.32 3359.49 1377.26 1746.02 2191.65 1325.91 1452.18 1056.77 13185.62 12086.45 2251.97 5336.99 1655.89 1456.84 1672.61 1603.25 1639.82 1414.01 1471.65 1921.36 1928.79 [(1S,2S,3R,5S,8R,9R,10R)-2-acetyloxy-1,9,10-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (Z)-3-phenylprop-2-enoate 1802.55 2889.79 2959.98 3628.42 4269.92 2177.95 5219.99 4531.7 4623.42 4848.62 3255.89 3166.53 3455.05 5248.08 2777.47 4502.18 4811.86 3897.95 6790.34 2788.66 4409.97 3737.97 3043.79 3947.22 2576.16 2668.64 3284.38 2606.26 2155.21 2451.93 3033.98 2672.5 2229.47 2399.91 3970.68 2329 3090.27 1796.29 3040.11 1309.61 2496.14 4134.2 4552.04 3981.23 992.43 4543.51 3684.82 5185.85 4514.24 2458.12 3663.86 4990.13 4961.73 5766.16 2545.89 2501.61 3874.68 4674.24 4638.45 3069.62 1942.39 4930.09 5968.64 2381.06 4612.84 4816.61 6211.3 6506.62 4867.7 2258.57 2357.84 4895.95 4140.26 5373.61 4697.3 4266.98 4452.64 4520.45 4539.79 4267.12 4531.69 4279.83 4597.3 4258.93 2-Keto-3,6-dideoxy-6-sulfogluconate 3332.73 1990.97 1435.34 3559.71 6050.1 5436.1 2980.34 5405.35 2020.25 7476.66 2022.92 9445.87 5899.41 4492.34 3862.07 4061.06 2583.89 5806.96 4605.56 942.12 1735.52 1889.64 774 381.2 1096.64 480.97 657.76 280.92 2215.3 1435.88 1247.68 1589.63 1575.15 1381.88 284.55 2174.44 280.16 588.09 2143 788.56 3338.82 5244.98 2885.29 3150.07 7483.83 2489.66 3668.41 2921.54 2210.47 6886.36 1666.92 4115.94 3261.29 3190.63 5177.61 4779.08 446 1148.8 4301.66 698.07 4569.34 4526 2206.22 2542.36 1931.2 8332.89 718.23 5527.75 3784.84 1750.06 2183.44 2273.29 1903.51 2829.26 3713.72 5267.75 5437.29 5338.25 5292.48 5271.3 5324.95 5269.71 5117.61 5270.5 Phenothiazin-10-yl-piperidin-1-yl-methanone 1157.73 1882.56 793.65 1255.83 688.12 660.07 602.3 1320.93 702.37 388.79 1907.76 899.13 868.95 1106.16 1255.4 2276.71 2490.24 1102.05 2543.03 427.23 1835.64 1090.23 365.82 1761.08 1279.53 2001.53 1175.83 1354.25 1094.42 2122.59 1717.69 881.86 1484 2148.08 2063.83 1539.24 5909.24 2095.25 821.56 329.43 1107.18 303.06 902.67 1297.98 358.91 509.61 2126.59 1402.44 1293.19 294.42 781.3 1066.58 864.71 798.04 1143.95 1025.06 346.13 604.33 809.49 2779.33 3596.96 591.44 1164.45 830.39 886.41 287.23 819.3 481.4 1428.81 661.6 1492.72 1175.45 4052.89 923.23 1153.46 2181.79 2034.85 2436.96 2090.15 2127.38 1178.59 1800.88 2248.35 2178.88 Tyr-Ala-Asn 7833.93 4981 4576.48 5008.91 4980.08 7618.06 4136.13 5153.91 3378.93 4871.51 4436.73 4880.79 9297.22 4613.78 4479.01 7128.61 10141.42 4848.89 3984.29 3266.67 6242.93 2922.03 4729.82 3995.89 7675.06 4742.36 6474.19 6932.9 5625.93 6301.78 5777.04 4727.75 5154.32 4475.49 7837.06 6241.05 3005.17 3438.44 4669.83 6170.92 9611.44 5193.5 4094.38 4965.95 4799.58 5509.88 5792.14 3895.47 3692.31 5849.78 5776.56 4723.26 3328.35 4749.17 3343.41 5242.73 3503.2 3056.11 4405.5 4571.87 6180.57 2949.01 6479.89 3689.52 3543.98 8848.3 2629.46 4037.26 2894.47 3805.56 4971.68 6448.01 3482.58 4625.95 3924.43 4306.81 4265.35 4560.06 4660.49 5580.7 4056.27 4299.51 4313.26 4571.77 (2R,4S)-4-Fluoropyrrolidine-2-carboxamide 19383.52 13012.1 6658.77 11871 22951.4 18637.19 34273.27 24347.03 11221.05 20373.73 23136.05 22363.92 34237.89 23645.72 18106.74 20129.91 19653.25 20484.38 23797.43 9790.72 9210.91 10125.99 20844.82 12262.44 16245.18 9858.72 12144.54 14911.83 15627.59 4095.74 6284.28 22890.99 9607.76 13339.71 13630.19 15805.71 16162.31 5013.8 23413.51 10106.8 9244.62 29593.18 18704.38 21028.5 21012.92 20309.71 29231.67 20106.58 20039.4 31686.91 19912.91 11930.29 21075.37 18004.31 25746.22 17845.82 7815.92 8513.27 18867.79 11146.37 29476.33 25675.15 12964.27 15619.82 14253.83 30712.42 1803.66 24225.26 23072.65 16707.37 8020.1 22219.71 18368.88 11527.18 18731.14 20843.53 20715.22 20662.65 20840.91 20840.02 20662.55 20861.46 19721.52 20654.72 Cocaine(1+) 1039.61 377.16 448.26 1863.33 456.38 1006.77 1827.48 1336.23 1718.36 774.77 2044.44 2016.59 660.95 1444.63 1748.57 2090.07 2086.15 1880.82 2013.12 959.49 1123.61 668.24 782.17 1443.96 690.79 523.47 998.33 599.27 1962.21 1184.28 1549.04 574.08 911.17 778.93 1007.7 1884.76 618.65 536.22 1547.27 651.31 1481.89 1297.81 962.73 1513.58 1775.37 1840.98 890.55 2051.14 1701.31 1260.9 1333.44 1882.34 1792.29 578.93 1294.72 2181.92 945.12 1389.51 2077.76 1042.43 2453.19 1017.25 934.79 1757.55 1631.23 893.44 757.03 3064.1 3003.66 995.25 912.03 1165.54 1340.88 1346.69 1599.62 2047.15 2159.39 2189.77 2064.07 2141.46 1914.74 2116.55 2051.87 2109.8 (2R,3S)-3-[3-(5-ethyl-2-hydroxyphenyl)-4-hydroxyphenyl]-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzofuran-7-ol 917.55 698.47 633.4 812.84 900.09 738.56 461.05 1293.07 458.53 530.81 695.87 612.67 557.03 865.1 600.57 995.09 1508.23 1011.2 1349.56 1020.11 702.43 499.03 685.37 654.7 1443.09 628.27 695.31 737.52 726.09 747.37 672.5 512.02 640.32 1363.53 587.96 843.29 461.62 770.71 962.04 665.76 1025.56 618.73 1284.86 427.7 963.3 545.93 1778.52 816.73 826.66 883.46 761.28 600.07 804.12 1141.49 1068.55 924.32 1530.44 1039.93 880.51 1009.78 989.27 1028.36 1031.72 850.73 834.02 3083.68 570.07 941.63 940.34 699.25 1639.19 965.15 905.22 853.21 968.04 1315.49 1217.59 1047.1 982.38 1167.87 1060.83 1133.85 1022.47 1092.63 9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione 493.6 1802.2 594.08 1473.81 677.75 3211.99 930.81 1661.23 815.53 434.04 480.62 1539.97 1781.12 699.38 823.64 1215.48 535.29 1441.35 1749.97 1638.81 675.23 3161.81 2449.15 655.95 582.72 521.59 1284.89 1077.07 1154.1 338.27 624.15 849.56 765.38 644.24 562.97 1290.59 789.8 620.01 1138.46 556.76 727.21 444.85 788.2 596.89 1323.94 562.71 1523.61 1513.78 1337.36 746.24 328.95 1107.23 1050.29 366.18 847.45 1194.07 1002.44 1317.41 1005.78 2193.91 597.55 2727.09 747.08 709.65 1417.12 546.25 399.98 774.03 513.41 739.47 460.42 3236.73 634.3 2446.3 965.89 1451.24 1525.05 1451.53 1410.86 1451.72 1416.01 1396.65 1347.14 1454.51 PA(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 1687.19 3507.24 1347.9 2076.54 2174 288.71 2199.9 720.38 846.35 688.11 251.63 1474.31 3810.06 2768.76 3516.53 2097.33 1930.56 7168.75 4115.92 5458.12 461.38 579.68 191.93 313.3 491.36 557.81 297.63 424.06 1420.01 412.06 2202.34 2841.91 276.4 511.27 599.76 680.24 476.83 218.86 433.37 240.15 4640.77 3261.97 424.81 581.89 6875.92 452.52 2652.82 571.47 275.54 6933.25 329.82 2550.4 816.69 1683.46 2991.36 3591.88 228.56 386.47 596.93 336.98 483.55 454.3 4324.02 539.71 1039.33 4684.78 7908.45 954.38 868.82 367.29 331.54 341.8 273.6 2054 509.71 2424.95 2483.81 2546.95 2404.07 2486.99 2421.21 2421.66 2518.05 2484.89 PA(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) 836.21 801.22 574.28 678.02 2492.31 500.71 3146.6 2994.23 1453.2 1257.46 896.57 1638.03 2007.52 1149.85 440.07 335.24 844.73 475.15 3305.72 865.16 679.67 707.2 620.5 1080.17 1101.59 504.88 368.08 384.85 2068.09 650.74 947.36 1248.2 286.98 630.18 459.88 327.44 714.46 703.23 330.17 430.81 615.2 835.19 495.04 740.8 1166.79 2448.01 2511.25 919.47 411.66 642.35 1367.42 413.09 1130.53 894.85 933.84 606.83 371.34 354.26 1612.58 522.03 1287.2 1145.36 3870.43 879.97 1268.32 1332.61 394.79 933.67 1779.57 292.79 939.98 3733.85 806.67 2023.83 780.84 1371.51 1278.05 1505.62 1220.46 1506.87 1305.37 1448.2 1227.51 1381.87 Labadoside 2296.28 1010.32 2112.31 2504.89 3497.91 470.98 898.2 4600.34 5473.99 2424.84 5799.56 370.23 4832.96 1904.53 7872.24 3418.34 5337.94 3348.15 4379.21 1722.58 19996.75 2576.56 1097.75 1153.11 770.46 5480.47 1177.94 815.7 15231.73 790.25 1168.48 704.5 8029.88 636.05 959.99 7946.8 2442.02 443.59 443.82 924.92 2524.83 4352.02 1495.48 2368.59 5812.77 795.09 5382.87 10910.1 1451.61 5280.9 1527.6 6331.8 3144.86 2142.64 2077.27 4519.21 1218.74 1465.33 4017.67 1322.5 3041.45 1794.31 993.93 2878.2 6639.19 1406.83 1302.35 3625.41 1798.18 3591.74 5942.38 1949.44 1599.76 3539.06 870.57 3881.31 2725.66 872.42 3283.38 3410.87 3546.55 3542.68 3695.08 3946 4-[5-(4-Hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol 7282.89 11566.35 6218.86 9249.75 7565.46 8266.36 5393.28 2664.66 5158.99 4979.75 3200.55 7196.99 8052.9 10742.75 8614.26 5745.58 8841.87 13021.68 8940.2 6939.57 3476.04 3511.71 3475.57 2440 2818.57 2190.48 705.86 1353.12 6172.88 4704.25 8042.66 10540.14 2988.19 3231.38 3052.07 3684.84 2803.05 2437.56 2059.09 746.44 11082.53 10308.18 3217.17 7379.47 14818.37 7694.46 6572.85 3315.5 5158.24 15096 5553.77 15156.71 6768.04 7396.28 7005.04 8548.55 4311.9 4481.7 5621.41 3985.7 2565.4 2872.75 8996.76 3169.76 5497.37 9156.11 20481.08 5982.33 6162.11 3857.38 4839.19 4529 3211.85 6291.82 5188.58 7610.79 7954.88 8506.56 7486.65 7958.67 7164.1 7960.12 7972.07 7917.17 Trp(O)-Asp 1673.08 1987.76 1132.07 1101.43 2492.97 2682.14 6159.45 6568.89 1393.94 6818.87 2501.61 967.54 26139.42 4271.69 4142.25 2611.02 1280.02 9300.94 2466.74 978.76 832.7 22907.52 1474.02 393.14 1223.65 867.46 1099.51 643.05 500.89 911.2 927.62 1582.6 803.98 1152.34 861.37 1849.45 1745.37 474.9 1067.88 736.89 2579.03 1500.75 1242.5 467.15 16821.77 1019.79 1665.7 1714.13 1671.05 2163.49 1885.24 673.89 435.7 390.71 1704.04 2094.18 1152.11 1234.68 7067.5 2724.11 2178.02 3407.53 539.03 3003.24 706.23 4587.01 1172.17 5816.34 555.32 2845.41 2988.72 1168.07 2720.14 1037.25 589.81 2262.68 2023.06 2252.38 2435.3 1804.01 2593.24 2323.12 2325.66 2353.08 3-[(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-1-ol 1302.68 4429.95 3135.51 2549.98 2812.72 2493.06 2969.39 2528.57 5276.69 1925.28 2303.34 2434.11 1359.44 533.77 2488.06 1250.79 2179.79 4162.21 937.85 2783.86 746.91 1930.58 1243.11 401.8 1696.53 1580.27 841.35 1063.22 2312.43 942.96 566.48 1921.66 540.88 984.95 855.91 2567.93 1086.39 481.14 1085.75 1161.2 4513.18 2443.76 1225.97 1583.61 3380.34 1580.51 1522.55 2327.98 2134.03 1130.09 1287.64 2244.8 951.99 4893.06 1425.44 3005.09 1900.53 1725.82 554.3 2225.88 650.5 1856.27 1767.01 462 2513.3 2934.11 464.33 3008.45 423.07 1868.59 2715.18 2598.3 1208.61 3569.27 2533.73 1729.01 2524.27 2343.7 2555.81 2526.86 2425.32 2612.57 2490.09 2372.96 5'-O-beta-D-Glucosylpyridoxine 4246.31 2920.57 8254.7 4308.19 1527.72 6284.53 2763.65 2485.06 2469.58 2464.96 628.75 5035.13 2324.37 2935.26 5099.09 6767.5 2953.73 2219.93 3429.07 3665.9 854.62 5349.19 2485.5 2030.45 1109.76 648.77 877.52 958.87 1917.55 2568.11 746.27 634.67 2520.65 1651.18 1812.79 2909.9 2052.73 5890 2459.34 4823.41 2200.62 2502.04 3267.56 975.87 1030.71 4715.34 2911.46 594.29 1777.92 4086.3 1601.02 1351.54 2628.9 3523.02 796.53 4680.27 4912.22 7538.15 4145.14 6668.52 2877.12 4279.41 1598.84 4873.59 5915.89 5869.22 1385.65 947.31 820.52 5604.84 1631.76 7319.21 2794.39 533.31 3088.04 3471.55 2422.1 3432.67 3246.13 3452.45 3516.87 3009.76 3109.13 3480.29 7-Hydroxychlorpromazine 6089.58 3787.69 1036.8 1466.47 2214.87 1765.27 846.67 1934.44 4070.44 2310.86 8394.29 3626.94 3384.22 628.12 4927.3 2978.85 1213.43 4623.56 678.61 8173.82 16976.34 1000 1168.39 2218.24 3636.2 3044.44 1236.47 3325.18 1017.33 1802.58 8780.21 7330.01 2597.9 887.26 4502.17 4491.99 9794.45 1146.42 699.57 2178.5 10762.47 3497.54 4209.63 2570.18 6184.67 1856.73 6819.23 3944.32 1151.38 4397.88 1684.23 7024.23 1298.29 2706.78 4140.51 3963.92 8235.66 2112.59 6950.86 9719.89 1863.71 848.47 3675.83 1923.26 6468.33 3903.84 20407.97 1739.56 3867.33 5590.66 10974.63 3032.36 7637.41 7841.35 2821.87 3238.21 2709.67 3140.11 3011.61 3221.84 2807.05 3789.3 3295.55 3164.96 N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide 6674.48 6064.65 3067.37 6384.42 5713.31 5071.38 7214.17 3559.73 11727.03 6203.48 7676.79 4156.96 4028.33 7883.17 9070.4 11153.07 4370.84 12536.07 10802.95 6694.26 3961.33 3281.82 3255.91 3192.67 4196.24 3466.17 4422.87 4266.45 4999.65 2091.52 4352.07 5644.66 3079.57 2543.07 3244.32 3668.16 5626.36 1102.77 1910.9 1052.1 3998.96 4473.85 5047.37 10204.86 13573.63 5702.25 9324.15 8364.56 3323.58 7859.37 2696.66 6605.88 8349.21 3940.42 1861.26 2159.23 2163.49 1448.62 7749.22 2103.13 3168.63 7089.87 3709.7 2690.82 4208 11421.08 6793.9 3024.87 5896.23 3181.94 9900.73 8125.21 5257.14 5681.97 4154.18 4388.81 4407.9 4486.37 3449.24 4422.64 4523.96 4620.64 4955.65 4615.16 LPE(0:0/16:0) 10572.83 12928.01 15703.28 12352.98 6446.19 24165.53 17818.07 12763.51 10362.11 6324.75 9447.31 8922.78 11848.93 12964.35 12657.18 6134.52 11290.41 9375.91 6018.21 8443.87 5047.85 2763.41 4126.7 4868.2 4705.8 3839.14 4090.53 3763.05 4803.9 4412.83 4055.5 2468.66 4271.75 6821.98 8454.93 4184.64 6304.77 2522.4 4671.66 5363.76 10036.08 11593.82 9008.01 13939.07 7950.9 6340.9 12115.74 9688.48 4165.88 4437.69 10158.49 8545.04 6583.14 6048.07 11929.75 10839.55 9960.16 12968.84 7372.62 7539.88 13324.26 6016.03 17710.68 7144.75 9873.54 8924.43 11739.26 6954.61 7731.26 8103.84 6496.67 2868.03 7475.75 11401.7 8533.43 10123.51 10125.83 10131.94 10501.1 10380.82 9532.34 10650.52 10171.59 10284.95 3-(p-Coumaroyl)ursolic acid 1433.57 2843.37 1786.28 1351.81 10125.07 2126.09 1917.4 7596.89 1698.64 947.5 3768.33 4680.68 4527.89 1766.79 10036.39 3467.64 3903.2 3909.16 4649.74 2269.85 4465.92 423.93 1070.02 1821.2 5267.05 4009.14 1279.23 994.12 6431.74 395.32 3193.64 1225.54 7605.57 2303.89 742.21 5372.2 3330.36 1182.06 1984.96 1560.83 3496.27 4099.64 797.37 1817.92 6576.81 1480.23 4604.95 13904.29 2365.93 3782.68 5222.61 9590.62 7727.86 5145.03 8228.01 6796.6 1984.97 722.73 11017.05 3651.33 3076.71 1112.79 3906.94 3245.85 3509.86 1933.56 2688.38 2683.06 975.81 7182.23 2374.77 872.17 2134.5 3416.04 2272.76 5225.39 5235.97 5248.32 4915.44 5039.48 5588.32 5198.24 5053.7 5009.97 Abemaciclib mesylate 372.09 1136.05 453.58 789.73 1020.05 598.68 868.1 700.14 413.12 2611.46 556.97 1216.71 1183.69 1964.05 689.76 407.59 954.64 960.78 837.82 833.11 335.94 527.73 330.23 1042.27 573.93 363.65 469.56 518.23 378.63 1030.63 306.64 352 523.37 459.46 818.31 959.59 590.67 351.85 499.65 581.17 324.03 1951.68 398.53 919.15 876.6 781.27 1579.52 704.12 620.83 733.73 1188.7 663.4 503.78 801.17 645.19 669.01 606.08 514.03 743.6 658.38 1616.62 606.94 686.55 582.12 587.32 798.3 300.23 530.88 518.92 616.76 1622.58 783.99 700.28 661.73 479.26 1312.12 1306.73 1367.32 1147.28 1506.83 1118.05 1295.55 1155.99 1288.02 [2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate 8396.92 4972.12 1315.04 1571.76 1161.52 9779.81 2027.97 6437.99 6905.46 2516.76 8616.81 14252.97 1555.74 3329.17 20217.74 5697.25 3796.42 9208.59 4580.54 8062.24 2813.85 953.13 1458.06 2138.88 4093.05 3963.47 835.18 3158.55 3856.54 1142.08 4415.11 2373.8 3635.04 1222.8 2039.92 5044.3 4761.7 2698.08 722.73 3008.66 2755.36 11586.85 6002.65 462.71 7881.31 1773.15 6317.22 5524.88 2559.52 4784.1 16833.02 10437.9 2675.06 1359.31 1093.4 7286.85 2412.92 1342.91 26105.14 4490.34 2110.98 2740.92 7584.39 2754.47 4422.07 3751.67 3420.36 3341.57 2768.24 4613.1 14577.27 2360.57 8283.75 2850.8 1630.68 4026.35 2481.95 4377.83 4376.89 2638.54 3587.49 4252.01 3178.59 2501.63 (2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene 7557.88 7898.78 4515.63 5911.7 7808.88 7655.76 6753.06 7965.3 7613.02 8886.48 5343.42 7097.04 5173.07 2272.51 3222.84 5459.8 4237.46 13576.2 3348.88 6297.57 3238.19 7282.87 4894.01 4143.8 6793.11 2123.3 1644.29 2113.07 5773 5417.86 8737.47 13328.64 8306.34 2943.23 2013.2 5949.4 8379.34 1059.09 3582.11 1602.68 8843.14 10987.36 6279.65 4252.31 4913.28 5437.66 7189.77 11362.5 4292.26 10045.79 7023.28 9709.33 5801.44 3261.72 2662.54 3756.52 3566.73 4557.73 9898.57 8690.21 4145.6 5346.86 5705.59 5628.16 8757.81 8791.83 5517.37 4358.37 6762.17 5006.35 5037.92 5054.16 5591.06 5004.59 3029.44 5420.91 5541.71 5587.24 5580.04 2612.16 5135.39 5057.52 6034.01 5573.94 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone 3545.58 2830.7 1177.04 3002.79 2679.32 9939.12 8790.54 6866.05 7993.5 5469.24 742.12 8426.66 8451.47 1995.58 7266.81 6215.39 3646.09 8464.44 10007.92 1487.41 2337.13 2066.44 2057.16 1409.59 2582.12 2108.28 1116.69 1613.02 3007.69 1747.21 2168.75 3131.82 1976.51 1128.55 1199.42 2459.15 2394.2 1173.78 1802.36 1226.93 4108.03 3928.67 2286.4 901.86 6768.57 1169.51 4697.52 2813.01 2601.68 4954.89 2943.47 4024.52 2024.99 2672.1 2598.1 3358.84 1091.7 7979.06 3510.19 2562.51 1482.62 1056.48 3232.94 837.65 395.84 4297.65 5041.4 1292.42 422.61 8242.8 7370.52 980.56 3351.06 508.72 2396.13 3133.82 3843.88 4333.74 4214.89 3525.45 4232.42 4206.1 2792.13 2726.37 1-cyclohexyl-3-[3-(1H-imidazol-1-yl)propyl]thiourea 2186.74 631.4 22591.47 16428.86 12348.16 35662.55 12051.59 6908.47 5158.94 2583.99 5862.31 8804.24 10513.83 1394.59 5049.18 10297.14 20891.35 5924.2 5272.46 5507.06 4736.72 3768.65 3896.69 2220.99 2713.13 3507.03 616.18 1358.69 5779.04 1204.52 2887.46 848.31 3625.18 16412.14 2826.37 3064.34 2448.98 2316.61 2318.39 1159.2 4101.8 5560.52 4921.55 6138.42 804.93 4074.85 6046.73 5677.05 4596.19 7457.84 5826.25 3994.44 5923.55 7259.26 14993.42 4976.89 19681.68 15008.32 6833.6 30938.84 7564.55 5285.49 3512.29 5920.23 3360.75 3183.62 8738.6 4271.34 5782.99 6175.09 8808.07 3315.45 6858.87 17686.57 6463.29 9533.82 9561.25 9550.71 9570.74 9689.39 8858.79 9956.96 9744.36 9757.68 4-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one 1549.3 9054.63 2541.88 6713.95 4660.35 510.7 5701.87 3847.34 5376.24 5099.81 4075.04 5172.76 5172.06 1500.36 8818.38 6725.51 5233.68 6138.84 4141.25 6490.1 1968.92 4300.96 2618.09 1571.73 3205.8 2856.06 2887.79 809.78 2849.36 3798.39 2487.41 2443.7 2517.82 3968.77 3977.72 3257.96 3403.67 2601.12 3871.86 3072.38 2383.55 807.82 1201.02 5531.97 2482.95 4290.66 3910.55 5305.24 3360.15 6434.71 496.84 3985.36 6763.6 462.23 3070.07 5815.97 3437.32 4836.79 4309.54 5140.26 5190.83 4646.91 6091.05 4595.68 4928.49 4188.15 9253.08 5048.05 6851.96 5140.35 4778.86 4956.24 1407.54 6506.71 4842.45 4920 5021.84 5137.18 2849.22 5045.86 4714.27 5111.78 4915.34 5471.24 6-[3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 298.59 677.1 1702.63 3522.11 1481.9 2997.66 5618.14 1431.44 790.16 437.94 505.26 2414.53 9765.41 2072.9 453.06 1096.32 658.88 749.69 825.45 625.55 748.05 849.87 752.2 348.05 625.37 463.1 571.91 685.66 613.99 639.74 963.84 1834.12 369.1 610.75 650.06 657.37 706.82 623.39 1914.8 635.05 846.95 352.67 1411.16 2910.67 446.57 4172.82 342.71 840.17 830.08 742.88 746.91 595.68 506.96 1378.18 1918.29 420.11 1337.45 2674.07 608.52 870.5 798.99 2133.66 491.01 828.68 663.84 1705.19 393.29 1276.48 709.84 1492.23 994.57 2536.15 1637.47 1761.8 2667.46 1461.46 1424.58 1547.58 1479.81 1421.94 1464.05 1449.55 1518.28 1517.38 Acylsucrose S4:24[6] (2,5,5,12) 3085.36 1006.64 1136.67 2244.6 616.57 3998.9 2316.7 3249.68 1619.91 285.64 381.11 599.98 1589.51 943.09 403.83 472.03 1384.4 1457.56 1733.41 2980.71 535.32 1129.97 963.51 992.47 872.42 482.98 568.71 1123.64 333.54 941.72 647.27 1045.37 956.9 692.89 1183.65 996.53 892.13 300.12 397.79 1046.34 2210.68 1783.29 1047.72 365.57 3342.03 1461.26 662.88 1517.43 551 3200.7 2915.45 1235.38 959.7 1214.77 1402.46 1107.43 978.03 988.63 346.45 1096.96 1254.67 398.28 2906.82 1208.08 473.88 708.55 1028.85 2601.38 318.04 701.04 1760.33 985.05 686.89 991.83 588.55 1521.31 1267.69 1571.74 1445.53 1241.6 1216.6 1478.14 1401.59 1633.77 Sulfluramid 526.97 3164.09 3838.79 3941.78 8716.46 3674.88 2458.33 3461.72 5550.49 3693.39 4355.2 8236.63 1761.35 3017.05 8075.56 5400.09 3926.46 11316.4 4252.42 4472.86 3078.98 1653.42 1406.37 1702.97 2243.28 1246.25 949.8 1208.48 5886.89 1659.05 2249.08 2863.47 972.58 1271.34 1816.63 2062.93 1520.58 598.72 3998.4 1591.28 4367.38 1715.58 2163.4 2871.87 4335.75 2271.14 6679.39 1207.09 1710.44 4679.26 2596.03 4539.56 1780.1 1650.57 683.15 3829.1 2366.73 1267.1 3974.07 1785.42 1160.64 1942.29 4500.25 1435.5 2250.54 6925.62 3708.1 4256.72 3707.48 8249.31 2296.33 1336.18 1202.66 461.15 2806.12 3466.97 3761.03 3778.72 3765.34 3546.02 3606.45 3809.09 3850.51 3549.96 gamma-Glutamyl-beta-aminopropiononitrile 335.19 540.39 791.29 799.73 1634.69 1346.15 836.54 1153.9 821.61 1641.9 800 3442.81 766.25 1098.65 308.52 1387.14 1464.3 2995.32 716.25 3280.78 494.63 1088.21 655.52 839.77 920.99 534.45 1351.79 1951.72 749 1122.7 1162.49 617.69 836.1 690.32 368.36 746.12 422.22 840.15 1125.32 693.5 549.17 301.9 853.08 912.64 1956.57 366.61 1077.14 2533.86 1620.54 929.24 967.24 409.78 1070.68 1266.71 761.88 714.8 1104.77 1024.73 488.31 503.67 846.77 274.58 287.72 762.79 808.85 2560.27 547.6 1947.38 1746.72 661.13 799.3 375.56 312.77 880.28 935.78 1787.2 1653.5 1824.14 1658.33 1281.05 1202.23 1198.58 2193.51 1424.41 2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide 684.81 1573.06 4816.28 1556.14 11624.1 4425.97 9947.15 14101.02 5305.74 2949.95 12391.57 18557.13 15915.87 9001.49 1516.07 12765.25 9744.69 9939.84 14974.48 1648.73 371.5 986.97 640.58 1706.74 1267.24 902.02 987.1 1591.81 1503.62 2356.8 789.2 7156.22 461.29 1379.73 1185.37 2526.22 468.19 2371.82 3256.9 1164.14 1220.75 4979.96 6770.91 5988.71 1112.86 11794.52 2304.87 5934.59 1717.07 10331.14 2358.25 4679.72 12270.42 10060.09 9849.09 3162.83 2421.34 1762.42 7395.98 3361.42 5571.89 3810.06 3058.73 14212.16 5191.57 13033.39 6018.37 7294.69 7820.6 2524.79 1498.45 2158.57 8290.59 3893.12 11428.67 6948.66 6983.89 7076.29 6831.89 6558.86 7058.44 6409.15 7017.36 6426.25 2-Aminopyridine 4569.34 7068.12 5042.11 6635.86 13321.32 7761.7 9860.31 8619.36 13242.91 3868.34 5524.81 4456.45 3911.66 2908.13 6495.77 6375.92 4564.31 6948.68 3609.43 3756.38 7170.18 2650.05 2995.72 3730.09 2911.32 3479.97 3015.51 2868.75 12431.02 1238.4 2266.9 3892.01 3777.83 3771.97 3739.07 2565.24 8034.69 517.78 5634.64 3747.22 8081.88 4541.23 4006.51 8295.83 5603.71 10844.99 6247.7 3944.06 6145.14 7011.64 5810.05 6034.93 5486.11 6730.16 5446.1 5953.07 16461.29 7598.03 6171.72 11301.34 7825.71 5544.61 11325.54 7776.7 3581.27 7411.4 21745.07 5658.12 6221.65 5566.28 9661.59 5452.68 9376.43 6705.19 9272.89 7512.3 7433.09 7186.85 7441.68 7434.98 7704.41 7432.83 7498.53 7514.65 Dihydroclavaminate 4069.37 2821.96 6175.01 7011.08 9634.55 1783.3 10827.81 5509.91 3466.2 4724.77 5672.48 5054.54 7721.72 4526.52 5067.48 6024.6 3834.12 6150.88 3056.95 3666.76 3935.81 2633.73 4571.94 4682.88 2364 2242.45 1137.9 2988.35 4198.2 3490.84 1635.99 4342.06 2378.93 3349.85 5319.57 2297.98 3595.26 2355.47 8195.88 1953.34 4662.25 3489.12 4687.17 7360.68 4077.51 10339.85 3745.44 5037.71 3302.59 9007.53 3833.59 4236.92 4187.62 6105 1405.62 4992.66 6555.97 5143.08 4446.49 2458.98 6814.47 6483.78 5746.92 6806.71 6048.07 2479.96 4565.53 6117.73 5349.67 5930.42 1286.39 4756.17 5349.19 7761.62 11661.55 4283.12 4646.95 3770.06 4307.16 4261.47 4072.44 4108.19 4310.44 4297.75 Fipronil 35630.99 25774.35 9664.34 2574.63 29866.89 49971.09 10880.42 11486.37 8891.42 26548.12 44816.11 23021.89 8345.86 24483.03 22822.65 26060.61 18040.72 27187.29 26573.5 23483.79 33699.91 23538.18 9699.23 23400.91 48583.65 53748.74 37220.9 61455.95 37277.48 2301.11 101941.16 7932.7 26793.61 17708.77 35977.49 30622.36 52478.85 150128.87 18640.17 60487.05 14315.12 38909.75 23476.28 15041.69 28818.33 4926.29 16020.43 35620.92 38378.17 61193.49 46445.6 29820.36 22869.2 14531.99 6845.18 25746.62 2922.91 3396.64 24803.97 23808.29 19901.88 21448.16 26212.69 4218.94 17720.9 31662.81 13241.61 13891.82 17641.35 14713.27 14412.15 18416.23 33852.91 20356.89 7496.61 18749.5 18959.54 19001.88 19016.55 18748.65 18792.38 18760.62 19003.5 18193.12 bis(beta-glucuronosyl)bilirubin-IX alpha 2061.46 4257.19 3187.93 477.98 578.55 818.54 833.47 718.36 1726.31 1483.74 2303.71 519.22 1749.66 1797.37 2647.55 1387.83 683.43 464.82 1067.57 2131.7 2442.97 2405.9 2571.38 3491.62 1665.06 3379.81 1844.19 1687.87 1311.49 948.03 1734.75 2706.22 1446.92 535.03 1261.11 1659.91 1375.94 2150.36 2646.92 3059.61 2583.95 756.13 1233.49 5173.63 6138.56 1694.37 1175.05 822.56 1083.99 1417.99 3533.62 1485.99 838.64 2305.81 1030.15 2017.08 3949.05 2338.56 1138.45 4314.8 2100.21 2554.96 1702.44 3194.04 3988.65 1016.01 842.69 657.45 3336.15 774.05 4900.11 867.99 3987.14 1215.25 919.7 2184.86 1820.87 2796.67 2277.87 2043.72 1635.74 1925.22 2258.76 2046.57 (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] 1965.45 1444.07 2259.18 5167.4 2064.62 1510.92 3875.09 3265.29 2217.61 2653.31 5474.89 487.29 3453.49 5359.5 2375.64 3934.31 3659.9 1043.96 2474.22 880.3 1007.69 2260.04 908.52 2172.94 2037.95 2940.46 1669.66 2296.47 2226.63 2522.72 3297.83 2710.97 1474.5 1750.11 1322.31 1550.98 1167.49 1041.1 1157.91 629.33 1970.83 3664.31 2544.66 3206.23 1206.36 6192.38 838.15 2042.24 2962.68 3391.21 3183.45 4862.7 2526.53 1246.42 4816 674.86 508.38 1370.89 2058.22 1727.98 881 1326.37 2056.78 501.68 1879.47 1585.35 1836.68 686.61 517.94 955.94 3945.08 1120.83 4717.41 5449.06 1240.53 2452.63 2246.36 2384.74 1399.63 2381.8 2331.2 2198.88 2437.22 2120.79 4beta,4'beta-Oxybis(3,4,8,9-tetrahydro-8alpha-isopropenyl-5-methoxy-2alpha-phenyl-2H-furo[2,3-h]-1-benzopyran) 3208.11 4520.71 6061.62 3594.53 6201.17 1325.29 7410.51 3585.46 2671.24 4167.47 4727.08 5572.95 4250.79 5073.29 6014.35 2193.82 4000.54 1085.97 2863.54 1966.51 6236.09 2974.73 2977.15 5440.78 4649.96 2778.7 524.67 2588.4 5659.86 1693.19 4594.47 735.97 2628.04 1194.76 2870.41 4209.26 1010.38 5785.28 2048.43 6909.81 1801.87 1667.87 3231.07 6834.16 1671.8 2714.86 1888.41 2731.2 1989.96 1485.78 4901.04 3879.9 2261.07 5774.04 4225.07 4552.05 8481.68 8055.3 6440.75 2092.64 1770.9 3818.14 3543.89 3934.67 5246.11 1624.45 967.76 1806.98 3700.19 2723.36 3941.32 2323.12 641.02 4478.82 6016.01 3249.69 3443.67 3265.35 2573.69 3414.79 3229.66 3333.03 3448.39 3438.53 3-Hydroxymethylenetanshinquinone 535.11 2322.94 819.05 427.69 2382.15 922.18 2521.76 1588.42 6323.32 878.29 1333.68 484.51 1815.56 3185.56 1202.12 1206.6 1218.82 1266.39 2809.14 2058.22 3727.06 1300.79 1012.76 1445.09 3991.97 1175.44 1909.06 1026.92 5674.97 525.86 5264.35 3605.6 954.07 980.88 1639.51 3424.75 1138.11 421.4 880.07 427.98 5301.49 2148.43 1607.98 819.92 2302.6 3072.01 9613.92 4255.61 1458.74 4691.53 4006.75 2219.68 2760.77 1605.9 2199.47 1676.52 853.59 796.54 2832.39 1099.52 1897.11 1284.88 461.54 1126.46 5882.92 2642.65 2929.63 825.29 1471.4 2688.78 3889.24 1721.57 1926.03 593.68 1240.65 1281.99 2921.94 2998.48 2702.01 2575.22 2742.8 2584.77 2559.72 2753.3 Pelargonidin 3-O-rutinoside 511.96 2950.6 1568.51 722.92 1132.68 2743.92 1000.48 2566.86 1363.29 977.16 1299.05 2197.02 294.34 1263.48 1046.36 1125.01 2985.47 1159.71 1041.5 1273.21 979.54 697.37 433.8 1997.94 1464.79 3901.05 276.16 485.8 407.21 720.85 3625.2 580.34 351.4 418.1 626.42 988.48 2148.04 1071.8 1860.63 793.32 3858.89 1915.46 2862.33 875.99 4735.52 1722.97 577.93 1345.12 636.51 1448.65 1167.02 3799.18 495.12 924.69 2091.17 1172.94 1942.28 898.46 2539.53 1383.17 865.5 1048.88 1263.29 549.15 1000.58 2990.65 1549.4 3161.62 1319.72 4061.78 1067.21 1194.7 3084.63 1559.07 1722.03 1901.94 2161.63 578.7 2367.11 2116.85 2032.29 2320.95 2307.36 2445.64 (1S,2S,3R,4S)-2-[(Benzoyloxy)methyl]-5-cyclohexene-1,2,3,4-tetraol 3,4-diacetate 681.6 865.41 1453.82 1694.02 421.21 2082.89 959.36 1077.04 435.55 1664.78 7617.51 4249.34 1249.37 647.06 2363.49 8606.64 2463.76 5504.4 1543.73 1729.97 3138.08 2009.23 1438.57 2293.55 494.15 2236.01 508.01 538.42 2342.91 2863.06 3094.05 2152.54 4922.56 1722.86 5201.61 1885 8140.85 694.89 1869.68 2460.46 2491.51 2710.44 1318.48 1981.46 2015.09 560.39 3612.28 8425.98 1343.12 1360.44 2056.29 631.99 2261.17 2286.24 2682.32 5171.11 408.09 1024 2684.65 891.47 1270.79 1342.2 2125.38 1674.07 1820.58 3152.46 1583.15 628.81 2921.42 6166.72 1930.26 2499.59 15123.08 2412.13 3585.68 2748.53 2107.03 2890.44 2755.77 2067.8 2858.15 2534.63 2699.15 2647.56 Avenanthramide A2 10290.36 10285.15 5435.08 11121.58 16102.31 19366.62 14788.02 9979.42 8839.66 8611.36 7426.56 11181.52 14825.49 7745.84 36749.57 12185.55 30683.46 10048.36 41094.3 33976.69 7221.46 3694.95 4956.61 6451.12 6660.09 5258.29 4712.56 4974.84 28040.96 2516.43 4646.97 7188.33 6758.16 5023.67 4698.91 5517.63 12834.53 2448.27 6265.42 4520.32 9867.59 8442.95 8056.85 8038.92 14684.01 11638.34 15356.03 8492.17 6438.28 13787.43 5526.08 10202.44 7161.77 8687.4 7878.1 13098.93 4852.7 5596.8 11211.81 8244.51 7708.86 6940.81 9335.68 10967.8 8210.3 9839.06 13357.17 8612.42 8440.68 9882.18 10251.41 26598.06 8768.75 10929.14 10044.66 12327.01 12110.27 12339.82 12532.3 12624.32 12303.49 12567.15 11700.98 12653.29 {[(2Z)-2-[(3-hydroxyphenyl)methylidene]heptyl]oxy}sulfonic acid 2861.84 8135.43 11049.18 3257.91 1331.29 489.31 1889.3 1163.69 1035.17 1234.62 4562.25 2214.07 2393.17 2829.58 1573.67 9130.41 3666.38 1445.41 6392.5 2263.48 2279.43 3535.28 3300.15 8739.91 1863.27 5700.07 5581.89 2214.18 1020.1 3802.5 2123.7 1705.63 1826.38 2646.59 2600.02 2686.65 5681.12 3281.55 8168.27 4735.38 2028.18 3839.94 4274.44 5045.59 1700.3 1784.8 1416.22 3108.53 2601.08 1821.64 3917.56 4730.7 5338.76 1509.03 2805.28 8298.47 18277.78 7313.35 10517.25 3424.41 4330.42 3028.13 1544.75 3097.35 3317.4 2106.06 2331.14 4438.44 3591.28 2013.68 429.58 3701.25 10130.9 2032.95 6318.74 4307.11 3438.23 2949.26 3480.25 2796.11 2632.79 2763.98 3053.58 3423.27 (4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate 818.57 734.35 2053.71 3849.55 2976.19 2087.08 4401.73 2120.63 2500.59 3933.41 1624.77 4979.92 2623.46 1745.4 5718.87 3260.5 5573.11 6211.41 3411.52 4799.81 2856.21 1647.93 1030.54 2546.09 4182.75 4702.19 3485.97 5451 3004.12 876.66 2531.51 3093.93 3018.48 5396.07 6642.57 3023.9 3337.19 640.06 757.61 6662.62 2768.66 2807.26 3396.36 3051.49 976.02 5940.08 4406.94 4556.29 1302.57 3685.58 4437.72 1024.31 5759.71 8508.42 8328.02 4555.25 1098.13 8077.67 1362.05 5414.16 3493.72 3320.73 4305.47 8738.71 4437.48 4317.93 5021.92 2163.03 1015.8 3667.14 4006.37 2509.44 6155.77 7675.13 1838.54 1863.61 1810.67 1325.06 1532.94 902.94 2172.77 3070.04 1536.12 3547.59 4890.38 3874.16 3920.88 2070.55 2794.53 1214.44 2068.31 1708.14 2299.61 2937.65 501.45 3753.21 3762.16 1489.44 1158.65 3899.01 4123.05 3977.54 3989.9 4044.25 4223 3985.7 4132.11 3968.57 3175.47 D-Alanyl-alanyl-poly(glycerolphosphate) 651.98 505.78 717.84 614.52 727.56 719.64 432.55 387.64 579.91 769.49 434.9 768.49 750.11 729.44 543.57 824.99 520.13 667.14 511.46 467.75 702.33 915.3 1035 1045.46 967.29 792.79 611.29 753.85 758.55 354.3 857.41 752.07 610.23 685.65 1335.7 1022.02 1050.49 823.75 912.3 896.41 591.64 762.66 827.16 837.96 696.52 860.09 856.97 686.46 750.66 654.35 845.82 585.74 829.03 846.46 726.52 698.22 609.59 1203.55 764.75 510.24 547.55 801.29 507 761.07 778.82 466.62 733.74 909.55 807.78 753.69 722.39 619.06 596.21 357.77 739.17 1500.17 1518.46 1469.83 1499.59 1480.66 1430.47 1500.48 1470.88 1498.85 3-Methyl-2-thioxoimidazolidin-4-one 979.4 1769.89 1220.48 1661.88 3875.2 7346.55 3283.26 2811.66 2468.02 2564.83 2025.68 3104.67 1917.44 1834.69 2348.17 2761.08 1010.71 3154.29 2530.76 3158.97 1642.24 3840.96 2886.73 1112.51 1489.22 1724.76 832.71 1368.31 2336.85 810.33 1665.68 2209.74 1606.61 2066.38 1746.06 1611.55 1371.38 1102.01 2836.25 2259.11 3490.76 2227.2 932.07 1612.83 2737.03 2433.12 2600.68 2362.11 1455.83 2745.83 1118.47 2407.94 1661.9 1409.23 1215.88 1588.97 802.12 1125.34 2270.63 5129.87 3530.74 2909.67 1662.74 1338.53 1604 2688.12 4583.32 1646.24 1735.39 2252.25 2249.65 4224.52 2091.48 1528.48 1049.17 2776.59 2760.14 2740.86 2760.65 2760.28 2776.92 2760.29 2776.63 2760.57 anthracene-9-carboxylic acid 4372.26 7721.98 3040.79 2366.21 6533.5 9545.88 1827.95 6177.09 5971.74 4652.67 3713.95 1220.95 834.36 977.13 2740.38 1698.56 1037.94 3967.57 4242.89 2755.53 5510.87 6762.02 2163.41 2624.19 3400.17 4145.15 1425.75 1329.8 5071.82 2272.31 4372.78 3884.67 4706.91 1692.76 2143.22 2667.74 8104.46 2285.46 1336.19 1388.97 7896.73 5805.03 1187.15 3679.06 5828.01 2799.85 6815.9 5047.43 2034.4 3956.31 2955.72 5306.48 634.14 2318.63 2787.1 7265.97 1392.6 2811.1 1512.01 7180.51 6381.54 1783.48 5358.39 2809.92 1809.35 5190.24 10017.6 1006.56 3962.06 2552.32 6659.37 3242.66 2384.96 1329.37 736.44 3545.61 3878.97 3100.53 3641.12 3874.33 3881.07 3942.53 3657.1 3537.23 Benzidine Yellow GR 1235.63 1157.76 1021.48 2658.28 1961.9 657.45 2208.05 1728.46 3342.5 494.63 1133.38 805.64 639.67 838.18 2198.39 1405.43 1677.02 5390.59 1158.77 2200.08 1193.28 475.46 457.78 883.56 1044.65 777.76 667.01 1150.35 978.11 1099.19 844.97 1346.83 762.8 902.55 639.29 521.29 919.95 635.56 982.41 770.22 1016.85 1533.24 446.14 752.75 2247.23 2306.86 2967.75 2578.74 548.96 373.77 1293.23 1675.93 836.93 917.07 491.82 1556.49 1426.69 1434.29 1034.69 1494.6 995.84 1055.31 2159.71 701.41 1349.97 723.68 2559.13 1345.55 2932.66 2052.03 1663.13 795.39 586.56 1300.47 2192.24 1479.06 1524.09 1418.69 1485.52 1493.76 1270.19 1693.6 1285.13 1161.06 Zizybeoside II 4606.66 2337.76 2276.32 1431.06 8610.06 5538.72 2981.03 5176.6 3307.6 4566.24 2542.81 3266.75 2349.02 4310.55 478.26 3024.29 882.38 356.1 2464.67 2431.59 1447.61 538.33 2811.88 427.68 4336.26 443.08 1337.83 2563.06 665.93 2772.24 1625.06 1787.58 527.43 498.53 1228.13 1610.56 2809.06 759.76 649.67 1385.75 599.61 729.68 1541.56 4518.23 3447.03 1548.28 4184.73 6985.93 1984.8 2416.96 2120.97 2077.99 2306.31 1147.92 397.07 5209.65 1330.5 3283.13 1129.09 397.92 2767.28 1834.29 2157.28 827.69 4798.24 5220.51 598.47 2361.23 4278.31 1753.4 1345.89 1442.53 2672.84 2591.31 3839.96 3220.06 2895.75 2187.45 3375.66 3162.28 3258.88 3354.15 3013.03 3215.54 Ser-Cys-Cys 5293.81 1197.52 1449.93 1673.33 1719.77 2397.53 1081.39 3022.07 1632.2 1112.54 3960.7 2301.34 3071.36 2256.96 1181.07 1239.5 659.07 4501.06 2955.6 4154.51 1254.16 918.18 1493.37 1606.7 798.53 1069.93 1128.1 1315.63 1635.69 668.27 3788.94 2409.52 857.66 1683.84 914.31 581.58 1178.63 760.91 1365.32 1161.28 1810.03 1641.45 1339.54 757.63 1673.08 4350.76 5295.25 2933.45 2092.78 2299.31 2263.95 2963.48 1578.83 2028.28 1600.33 659.32 1034.2 564.13 2521.4 1144.67 627.07 1741.3 2635.43 3034.2 1000.99 1426.92 1140.98 1945.78 920.66 3194.28 3122.59 1840.42 1291.63 718.7 637.99 1288.82 1398.21 1317.6 1406.16 1229.17 1267.74 1451.37 1408.49 1406.36 8-Carboxymethyldihydrochelerythrine 836.37 400.03 660.18 425.48 1969.25 1272.44 2746.88 2008.81 1365.05 243.54 1157.53 3384.73 1585.97 489.22 1087.77 831.29 1925.99 1902.86 664.98 529.76 778.41 1710.67 303.26 668.49 1179.44 599.02 391.62 275.78 1093.13 1247.9 1619.91 638.13 464.34 334.45 553.82 740.49 1268.74 441.58 967.26 440.48 1301.37 1106.85 1491.46 1299.19 1199.16 1617.65 2990.91 1034.86 571.73 1365.03 1139.43 3569.33 1498.1 507.27 1137.76 1036.19 595.38 847.99 1396.32 1332.39 554.17 689.85 2808.54 447.77 523.23 1240.06 5054.52 2538.41 995.86 2117.31 1105.92 612.79 2879.37 1560.03 1331.93 2462.95 1469.14 2958 2442.53 2507.81 2462.94 2236.13 2021.77 2595.05 PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) 4165.53 3572.13 3539.94 3525.34 7998.67 3928.09 2255.98 2551.49 5705.28 5681.1 4207.56 2870.43 5174.57 6369.35 3307.59 5802.85 1875.01 1964.44 5383.93 2643.66 3458.65 4104.03 2259.7 8260.27 6188.97 4066.85 1578.76 4746.23 3808.68 2853.75 3194.45 5425.29 3755.62 3199.44 5970.63 2419.28 2190.1 1965.64 2311.7 1686.88 5123.99 1688.75 4524.08 6420.12 4618.77 4653.12 5188.03 1590.87 2125.59 2740.68 4172.06 2683.24 2955.6 1304.78 787.18 2346.3 1437.84 3634.81 4685.59 4172.06 3822.76 2147.71 4637.7 4241.41 2045.7 756.84 4574.97 1811.57 4125.66 4438.64 2645.47 3395.72 4072.24 6487.98 2713.58 2774.09 2741.83 2560.92 2514.44 2479.71 1794.49 2827.38 2778.46 2411.99 Siphonol A 611.9 1928 424.04 489.26 980.44 455.1 437.53 497.04 874.08 803.59 626.01 1058.91 312.12 572.8 522.86 553.95 885.29 566.14 448.56 400.71 560.74 530.01 900.88 490.21 602.31 586.48 589.99 589.54 504.66 555.86 561.42 412.57 645.81 523.47 511.34 469.85 441.53 516.12 1002.18 678.84 572.51 691.9 676.29 401.86 648.64 1487.16 730.55 448.06 356.12 432.73 736.96 752.75 563.47 591.23 684.83 954.66 712.09 891.98 541.9 504.89 309.39 640.11 1041.58 383.18 1195.9 1020.22 900.67 322.9 701.52 684.98 823.57 582.72 817.97 580.99 495.63 965.25 969.16 891.12 967.28 894.28 951.06 1095.38 970.58 667.45 Tyr-Arg-Lys-Asp 5116.35 8432.99 4748.19 4667.52 8388.25 8202.4 10666.34 5124.1 7203.71 8638.32 2312.76 9814.96 3449.95 4922.64 3321.03 12626.47 9041.79 5488.26 6721.68 1297.57 2833.49 5484.05 3653.37 1098.45 6488.14 4816.03 2818.88 2431.96 2286.81 5558.54 1869.65 2095.96 1720.91 826.18 2300.59 844.24 2545.36 5242.84 2805.02 4071.96 5803.8 4586.68 6454.18 8606.21 9539.55 9019.06 2877.3 7277.93 4606.5 4429.82 11920.89 4996.13 2331.55 7820.17 4785.26 5317.07 5371.55 3912.86 717.63 5668.8 4441.97 4110.55 5241.41 3622 2616.26 7631.08 9694.76 1428.78 10181.65 5517.09 8923.7 6806.66 3604.15 9189.85 8854.2 6441.86 3553.5 6877.29 5821.69 7328.81 6348.17 6367.16 6707.72 6809.65 Xyl(b1-6)Glc(a1-6)b-Glc 5993.81 1073.21 19234.89 5108.09 5343.85 1171.34 2266.79 4222.35 6504.16 4771.12 6160.36 4393.68 909.54 2517.63 4047.29 4367.14 15658.77 1456.23 1828.51 2826.95 1655.67 965.09 11477.58 8687.82 6213.21 13194.53 7535.63 9322.2 3991.6 6892.28 8359.51 4832.98 1590.91 11112.02 7224.55 8608.07 2061.16 6520.63 7895.52 5276.39 4180.19 4385.01 4581.68 5927.75 4446.27 5184.86 8953.03 6141.2 7702.67 3483.89 8206.25 3884.49 5949.97 12148.34 10026.02 659.53 14736.34 11817.25 1898.98 3363.94 2537.81 1963.73 4669.9 6395.43 12398.73 5197.29 4742.79 1150.81 985.48 3916.79 4952.59 6812.55 5733.35 6027.69 1224.79 4077.38 3360.26 2292.84 4151.5 4074.92 4297.29 3628.47 4065.22 3818.81 beta-Amyrin p-hydroxy-cis-cinnamate 1166.03 1083.09 588.9 1376.72 1143.39 1720.32 2561.05 2090.59 2489.75 2204.94 2441.37 3080.3 2337.31 2442.68 2017.18 1191.93 2288.37 1920.45 1665.57 2860.64 3244.79 4068.35 2518.65 2839 1622.67 1850.67 2002.41 1802.04 1315.99 1034.91 1223.18 815.28 795.88 6942.05 1578.25 1861.69 2001.49 2915.21 3149.08 1665.12 2567.55 1483.88 1314.64 1205.73 3196.01 1011.78 2696.91 2160.89 2027.19 1858.73 2641.39 1466.8 2121.97 1001.17 1422.04 1590.93 1635.72 1820.83 2737.12 1914.05 2076.28 2719.46 2645.66 1481.82 1665.52 2679.62 3871.78 2661.54 2679.5 2641 2214.9 3460.69 2213.49 718.2 2156.57 4627.1 5630.55 4506.46 4000.38 4356.09 3449.6 4094.95 3911.71 4319.4 [4-[(3S)-3,4-dimethylpentanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate 2063.36 1562.26 2416.01 5245.91 6933.89 2260.14 2591.35 4225.28 1475.95 4321.89 2245.03 1725.92 1598.9 1477.45 2176.51 6198.46 3800.1 2950.96 1591.14 2395.21 1058.23 1636.31 2364.49 686.18 1211.8 1202.89 1062.31 1105.45 1663.18 2286.05 876.29 2204.1 1859.37 1072.43 1059.09 1328.7 1425.86 614 2316.14 1910.01 3608.67 1112.05 1245.3 1480.31 3431.81 3674.08 2090.91 2206.81 2294.56 2535.91 869.99 823.88 1807.27 2578.16 1797.79 1695.06 814.57 3314.48 4362.94 2072.7 4791.42 791.5 1297.06 2690.5 3495.08 2287.37 3652.52 1557.66 3379.33 1372.65 1983.26 2352.08 1402.34 5442.99 4739.98 3503.51 3107.86 3099.89 2886.31 2324.37 2900.73 3138.42 2852.34 2755.06 6-{[12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6-hydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid 271.82 1070.34 431.49 686.8 1812.91 1052.58 697.39 1588.73 2089.25 1242.23 1947.55 686.45 809.32 1671.14 1111.89 1375.05 1882.93 2443.62 1419.79 1699.4 824.4 641.4 1172.73 652.5 1382.93 601.52 631.75 1267.54 2548.2 853.48 773.84 1398.67 1335.39 1072.86 516.32 504 1327.55 281.99 322.33 1180.68 535.21 1235.59 3307.05 820.1 1311.32 1631.49 2325.49 1332.24 1077.17 251.75 1284.46 2778.85 448.69 1139.25 2350.11 1951.94 660.23 1107.46 1729.04 279.12 633.76 1932.71 421.99 1431.19 2736.09 2785.35 379.52 398.63 794.29 3746.86 2031.24 624.42 555.67 493.17 1528.78 2149.19 2393.57 2216.23 2459.89 2161.68 2066.75 2130.15 2335.12 2104.26 [3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate 602.07 606.64 903.3 1282.97 1902.09 944.59 1303.83 366.93 590.2 844.52 1104.96 268.7 1387.69 1358.92 751.26 578.53 622.33 658.35 2256.87 7851.66 767.86 594.69 1038.96 909.92 346.69 614.96 798.57 889.54 530.33 1139.04 1144.06 901.98 608.52 851.59 923.43 1259.15 785.97 1749.62 1289.2 911.59 2034.77 862 1134.07 765.12 1060.19 912.08 939.07 732.22 604.56 830.99 666.73 634.04 2823.83 991.75 549.21 292.69 703.18 313.87 1156.93 468.35 715.44 2157.13 1202.03 1654.08 495.55 852.09 1370.22 399.79 516.36 750.03 629.39 435.68 1043.25 728.92 1255.46 775.25 1388.54 1538.73 1437.47 1536.08 1536.22 1603.93 1341.65 1573.78 methyl 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate 700.37 2129.65 1527.42 1724.1 11967.42 1584.62 1342.76 2206.11 1404.47 789.86 1451.11 3273.48 1248.6 1513.59 2551.89 1277.18 1961.91 772.29 1632.47 469.02 1825.01 801.85 852.25 950.44 3762.07 666 805.07 555.11 1089.65 654.33 694.6 8025.84 851.51 542.37 530.81 1075.55 2126.05 698.39 397.12 1135.88 1716.99 5552.65 3556.26 2594.39 2795.8 4797.85 2458.37 1870.37 909.87 2388.21 442.85 2562.88 2184.85 3322.09 3178.55 5331.36 1753.92 796.8 1939.74 1328.05 3697.5 1006.89 3543.45 1673.18 2463.23 2376.3 1426.19 2054.07 1014.15 2679.31 2059.17 1003.26 933.78 7446.21 1271.48 2410.38 2290.31 2198.83 2263.48 993.24 2405.49 2417.32 2138.74 2394.76 N(1)-(5-phospho-D-ribosyl)glycinamide(1-) 1629.02 2103.96 373.12 1251.07 510.6 2728.12 720.01 1318.38 3160.66 1079.99 2931.91 1516.45 1246.54 822.26 3423.87 478.24 3149.54 4942.8 509.38 7424.2 995.72 2240.88 731.12 840.41 689.82 432.92 606.38 745.01 1790.58 940.97 1100.56 1519.5 1724.61 829.99 643.16 642.96 1420.13 835.99 739.66 641.12 3947.39 1535.36 684.94 691.1 4051.26 1436.61 3453.93 2120.49 453.78 3215.47 507.94 1894.24 548.68 676.26 1063.64 2280.51 457.99 912.95 1192.88 2362.33 803.65 691.64 2436.45 2263.51 4048.59 786.7 3751.69 943.81 1973.73 4659.76 2240.18 1413.64 1965.18 1192.35 1255.94 1783.31 1443.12 1773.99 1695.08 1797.45 1796.56 1618.79 1401.77 1792.02 (x)-1,2-Propanediol 1-O-b-D-glucopyranoside 7379.17 1915.36 4498.22 2728.45 15033.32 6376.07 9296.03 6928.85 6388.95 4181.33 4023.86 756.7 597.18 4300.49 3749.79 6113.55 4414.83 7745.01 5058.71 3810.58 3396.45 5112.79 2625.6 4009.41 6319.57 2616.58 1793.16 1956.83 1967.65 332.62 2667.49 3095.15 4192.48 1865.6 1498.02 3794.52 5176.92 1937.16 2313.54 2040.65 5747.13 7923.87 1279.09 3207.32 10040.77 5673.12 4270.21 3619.65 2788.95 3462.16 3395.58 1435.17 4871.4 3423.5 3047.38 7742.32 1238.84 2080.8 9692.28 2430.89 2423.42 2094.18 5371.92 1653.12 3652.43 5417.21 3421.59 3225.2 3840.13 3698.07 4050.34 2783.2 4120.21 1916.18 6004.49 7069.27 6310.73 6365.18 6274.73 6567.83 6203.72 6198.61 6483.3 6622.88 Lonicerine 9764.89 11649.42 19858.11 15857.8 17199.69 11970.27 8162.7 6657.8 1978 3631.92 6326.55 4959.54 7113.95 11742.16 676.03 3975.97 18356.84 3929.67 3183.19 2077 693.82 8244.84 6058.55 10336.42 5945.79 5221.87 1139.06 2798.2 1791.7 9583.92 12791.84 15148.28 6251.84 9879.59 1621.52 3647.8 4889.31 8859.38 6553.48 5754.33 6156.98 4493.33 5105.47 3403.18 4535.76 10491.67 1172.64 9228.89 6681.11 12542.34 21297.91 23510.71 23223.55 15313.8 1175.86 3022.36 2281.34 25204.92 6114.04 7855.62 6726.44 2565.45 8626.37 5574.47 7802.86 3615.28 16005.5 4298.69 2334.45 2054.15 6264.67 673.78 2184.01 4289.05 4633.22 4212.15 4918.34 4723.61 3533 3045.78 4381.98 3330.27 4536.46 3978.66 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate 2087.46 4592.84 2034.68 2891.06 757.02 2687.42 878.63 551.47 1676.61 599.18 2010.08 2410.03 1396.12 982.63 5159.05 4463.13 2681.53 7110.1 7907.05 5966.78 2136.17 933.91 455.91 1316.75 1421.43 388.08 560.29 763.37 1631.85 400.74 2685.9 2328.29 640.14 908.84 710.3 828.7 1532.58 889.8 841.85 570.62 6342.83 3173.88 803.59 468.73 4615.35 2259.19 5042.79 1296.64 1028.5 3479.77 694.69 2265.9 471.65 848.84 3004.55 4422.3 1230.16 1136.46 680.54 576.53 1179.97 955.61 3282.62 2173.32 2449.12 3326.45 5571.71 3755.53 1754.17 1473.5 762.06 1087.86 1111.71 1332.12 1888.13 2880.29 5576.39 820.97 4651.1 4619.89 3172.16 2472.34 6429.27 6118.29 2039.4 1242.79 8760.41 2342.81 7374.45 1412.44 2296.75 2360.06 2391.76 2466.44 1333.0 3070.33 6073.73 921.47 3029.08 2681.89 2824.34 2830.22 2679.55 2685.24 2847.84 2844.69 2894.71 Aspartylcysteine 1213.79 1541.25 2005.82 1259.63 868.97 1031.28 1529.79 484.33 526.19 502.68 1837.04 1636.27 522.1 676.01 736.21 2370.28 1434.23 1930.2 1233.16 1454.76 619.18 5269.51 799.3 2082.36 517.26 1187.68 663.68 463.11 1074.52 524.6 1441.77 1599.68 1453.94 693.48 930.23 1165.26 528.75 1280.18 1622.24 997.74 1393.3 1315.13 4077.78 2566 808.15 810.49 783.77 488.03 1241.27 437.07 1333.67 465.51 2094.28 1188.85 445.67 574.41 10070.37 6898.95 834.58 622.67 3552.96 623.97 1586.49 3495.01 2148.39 1416.9 3739.06 911.38 955.31 1306.04 1082.9 664.58 4245.83 2525.39 1515.11 1614.88 1517.14 1488.75 1517.69 1592.83 1593.05 1363.13 1604.2 1652.56 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine(1-) 3787.76 3910.11 1321.39 2315.59 1651.19 1434.35 3136.4 3471.68 1051.05 1304.06 1950.26 675.83 768.4 1917.22 2069.88 3674.29 1889.93 1008.94 4026.89 2641.97 900.51 1808.95 3908.62 4352.22 1827.79 2083.76 2871.06 2733.75 1885.3 3609.82 2437.74 1394.25 1378.19 2419.42 1833.81 3211.43 2378.36 1462.15 1594.27 3168.04 857.26 1376.12 1838.5 1572.7 1550.91 1587.53 3539.88 2850.3 3161.6 1452.83 2786.71 1703.42 1578.42 1687.18 1576.47 1701.1 1180.83 2060.8 1900.05 793.12 1959.84 826.5 1916.99 1204.38 1410.26 552.44 1769.3 1276.56 643.36 1808.3 1258.85 1082.07 1105.42 1028.89 1809.61 1846.38 2017.94 1846.72 1839.69 1691.88 1878.03 1008.99 1684.21 1792.73 (6aR,9R,10aR)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline 8662.32 12759.77 9849.8 21896.27 11204.18 9801.58 16148.82 12735.97 11767.83 16338.76 11451.23 12505.19 17309.96 14297.31 11211.08 15407.29 15105.07 18852.09 17587.84 13915.5 5787.05 5734.64 5207.06 6789.51 6735.64 4743.94 4398.46 4471.16 8059.92 8942.73 5691.74 8004.71 5470.04 5642.43 6412.98 4857.33 5723.15 1500.5 7223.37 5682.25 15592.31 10520.64 7290.8 14187.84 14727.34 16272.04 15636.9 7386.53 6357.72 18825.31 8073.96 10309.19 8464.7 6838.15 10341.68 9927.62 7132.09 8602.88 10958.25 13916.27 13922.23 10601.29 14384.3 9872.62 11253.61 12132.88 17895.61 11644.4 10781.66 10043.88 9980.02 15497.89 8468.34 11382.24 11032.07 11467.82 11687.15 11827.68 11641.25 11485.29 11465.96 11483.57 11678.02 11667.3 Lonijaposide C 1826.87 963.01 1158.29 1830.45 951.88 2538.5 1496.5 1277.37 705.55 1062.45 3797.45 3192.01 7950.8 2474.39 1128.61 2267.96 1433.1 2248.03 780.26 2023.27 952.16 716.34 1220.98 1103.03 610.71 1179.16 471.8 1210.56 3014.24 2484.21 1760.18 3013.04 2292.26 830.58 1237.52 2480.49 1079.84 1006.94 2277.38 648.32 2436.12 3409.87 1134.36 2238.76 3737.71 497.82 3391.61 1809.67 3204.79 5904.19 3871.52 1360.8 3316.94 2723.84 1637.49 1223.39 1022.27 1335.8 1183.64 1198.13 1279.65 571.24 1521.27 1537.58 808.41 1381.69 3746.19 1443.32 666.99 1341.92 897.22 946.33 1578.12 3515.2 1498.18 1582.02 1455.05 1385.81 1824.88 1619.64 1575.22 1730.02 1394.67 1127.62 Aureothin 280.04 748.73 950.68 1121.11 13181.18 1731.88 534.33 345.64 1224.57 1226.52 438.05 2596.34 345.42 632.83 1769.95 2130.16 1087.24 665.25 486.09 1362.62 1602.88 393.22 1316.94 718.03 497.52 631.29 590.69 682.47 1341.84 1197.37 800.96 1667.74 357.42 726.86 318.19 871.64 490.32 610.13 249.08 315.33 1889.79 3423.47 491.6 1334.32 730.27 972.7 931.2 1186.91 414.43 1375.18 1356.97 1858.64 620.94 615.13 447.13 588.18 476.12 851.26 761.65 1875.25 374.2 444.47 736.7 700.77 1051.56 3050.53 623.71 308.1 866.39 655.37 1819.34 583.66 1031.83 884.7 1358.49 1835.67 1693.65 1642.13 1900.35 857.14 1647.28 1702.04 1709.34 2015.73 2-Hydroxy-imipramine glucuronide 9119.91 4854.31 8478.55 10263.76 6062.45 2980.7 6191.83 12861.81 7742.88 4254.45 8575.57 6074.66 3314.4 7324.44 11498.1 3595.67 5652.82 1386.02 21601.74 10817.07 8738.3 2304.04 1863.27 11205.56 11748.12 1646.39 5319.16 6575.07 4907.69 11935.66 8473.37 1987.78 759.79 7692.32 8953.65 7339.61 6387.94 3460.23 2863.14 8602.23 10338.52 4948.08 11360.18 13299.45 3675.57 4441.59 10981.14 12654.38 7396.13 5001.35 4621.99 7319.34 5035.53 5945.89 4342.08 1856.07 9420.47 13861.6 12719.48 10929.2 4534.63 5536.01 11064.29 7163.92 13164.11 10457.38 8066.06 7508.83 13471.5 10600.88 8696.29 4684.02 1690.45 8826.5 11239.9 6386.55 6731.39 6945.58 6682.34 6336.82 3818.02 6364.47 6618.25 6766.22 {4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-yl]phenyl}oxidanesulfonic acid 5588.68 5980.68 1940.28 20005.91 1042.93 19962.46 20617.01 19457.37 20153.36 17668 24052.97 35804.39 28396.47 23996.01 17916.03 36515.53 19416.82 22980.97 29970.96 7706.9 2417.88 5409.21 1500.87 1155.68 2654.97 4299.6 6283.82 549.77 1506.09 953.93 4318.08 5463.67 1810.54 1569.13 7972.92 6840.33 2218.95 2583.19 7448.59 1012.72 11717.54 2357.03 5544.24 17919.26 18520.05 22030.03 11489.28 6204.34 808.42 26120.88 1787.59 8445.63 13245.36 8571.7 11859.08 2825.43 598.74 5236.99 12446.23 3853.11 18815.56 16391.81 891.04 18404.2 23297.44 20116.07 22008.71 26663.05 19921.63 17541.94 10805.07 18144.83 19582.38 14427.7 24863.77 13636.48 13898.76 14977.43 16076.12 13496.43 14984.65 15296.54 14271 15885.55 NCGC00380900-01_C20H29NO12_2-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2-phenylacetamide 702.28 1470.5 765.21 848.78 1919.42 2906.13 379.97 3687.46 1580.98 1062.39 1126.17 2973.09 2729.53 1294.89 544.08 847.22 485.95 1611.37 1380.73 903.64 540.3 505.12 706.48 645.24 1166.87 520.62 343.96 570.45 647.58 508.81 455.41 983.55 474.07 664.85 353.26 362.27 509.25 326.74 253.93 388.2 248.86 1550.46 271.69 950.63 1406.12 470.82 1384.62 1237.79 578.6 603.93 757.83 1581.65 2085.36 502.8 1218.54 1120.13 599.58 822.22 664.83 708.92 706 881.95 894.93 1578.29 1591.68 1775.53 614.99 766.13 1215.35 1656.23 399.27 426.83 798.9 1017.15 2208.64 1847.36 1615.08 1698.35 1724.85 1264.37 1816.66 2044.17 1803.94 1571.33 [3-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate 2259.35 3492.64 23883.39 2358.11 46219.15 4091.95 4513.97 11263.08 8304.86 9240.18 15993.88 4762.8 7652.05 5855.01 3275.22 7359.16 4834.48 10831.2 6219.89 1617.11 3925.18 1662.76 1015.65 5802.61 3236.19 2443.49 5771.24 5822.78 3416.33 5173.95 1468.99 5073.25 1948.57 6047.28 3021.26 896.16 4711.81 865.63 2645.09 878.48 5535.27 13594.53 9891.99 4923.77 6858.53 2619.82 9383.62 4141.89 3767.22 11191.51 5689.9 5537.85 7131.53 3056.86 12857.04 5026.69 2651.84 3016.66 3201.88 14228.58 11178.84 26426.7 4698.58 6003.2 9835.22 6014.04 2566.54 5337.09 7138.99 2147.43 6603.7 5886.61 11924.91 3308.6 8970.98 11328.32 11167.99 11787.52 11581.11 11869.32 11249.81 12295.16 11173.99 11166.58 Carnitine C12:1 8915.28 654.45 1275.78 943.31 1198.07 678.29 593.03 2977.82 3134.76 737.36 3174.23 2657.04 13904.99 1605.55 744.92 541.46 1157.25 1725.26 5261.61 1744.98 1302.03 972.91 1340.75 1279.89 1208.22 1049.1 2953.11 975.38 640.31 754.47 1178.5 508.17 1525.6 1158.19 1632.45 1681.83 2764.06 1288.51 3448.08 1249.82 940.35 1032.12 632.02 1773.73 1187.66 1122.45 876.08 1083.59 3896.02 1193.27 5086.49 603.33 3802.29 517.44 853.37 1098.33 917.42 1481.89 1240.47 1546.93 1124.87 4933.38 1344.71 1813.84 1799.22 2018.86 1881.23 4742.13 1367.14 1417.42 1902.99 1203.78 1029.67 1291.67 944.8 1364.01 1002.35 1423.1 1243.41 1349.69 1376.59 1377.03 1312.64 1331.53 [2-[4-Hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate 2918.03 2557.66 1052.04 4547.94 7766.87 10434.5 3117.74 3182.25 2159.16 701.42 2685.22 2526.15 2266.33 2986.28 4200.37 2961.72 4172.41 5811.51 11227.72 11897.36 2338.54 587.16 1055.42 873.51 926.68 2400.24 741.22 247.19 909.02 2164.19 1076 839 1653.14 1197.99 611.84 1655.26 2686.53 1180.15 866.04 463.7 4313.53 4172.07 1271.84 2041.3 4143.76 2278.45 5339.28 2226.2 1567.75 449.23 3711.27 2216.55 1448.3 3818.17 2561.89 6384.79 592.36 1778.02 6556.54 1225.78 2607.17 3558.88 5324.37 5926.58 2505.09 6310.42 2119.46 1167.05 1884.5 4273.98 3498.8 1405.24 2188.52 6394.37 4964.47 6628.16 6233.24 6611.86 6299.92 6350.84 6997.06 6566.56 6152.55 5185.14 S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine 1307.44 509.83 1076.87 1224.36 2383.18 2620.13 723.01 1805.86 1535.78 2983.34 1507.05 2536.77 6250.63 1778.24 2006.54 2886.3 1316 4181.89 4474.32 4094.42 10861.15 1648.19 1300.16 1323.99 2024.38 1783.67 710.55 665.06 1413.48 463.85 2839.95 894.28 1816.51 1085.07 3829.32 1829.73 4017 863.97 1458.45 3722.31 585.79 4021 743.04 3265.34 3806.6 2187.16 1278.37 1167.96 2149.56 3345.03 2975.82 1645.27 3389.55 2481.83 3205.25 806.34 1245.99 1462.05 4932.56 14236.43 1577.66 1713.22 4701.29 4765.72 1377.97 3676.32 3810.21 3031.73 719.11 3502.94 2981.02 537.71 2700.53 4126.86 2172.51 7266.38 12309.11 7365.15 10914.35 6479.68 11979.05 6887.93 6758.7 8309.83 11603.38 9338.55 10267.95 11392.82 10796.89 9147.07 9701.26 6732.93 7544.01 7725.89 10573.31 11204.71 8259.72 10239.67 8900.18 11073.04 2762.23 1726.95 2456.4 2469.3 2505.09 2572.11 2298.77 2385.47 2319.63 (2S)-2alpha-[(E)-2,4,5-Trimethoxystyryl]-3abeta-(4-methoxyphenyl)-6-methoxy-8,9abeta-dihydroxy-2,3,3a,9a-tetrahydro-9H-furo[3,2-b][1]benzopyran-9-one 4642.31 4742.36 2453.72 6552.6 6197.57 4637.72 4820.2 4289.06 6800.79 1992.49 2174.74 5854.08 7865.66 4498.49 7647.58 6488.45 3649.92 8564.57 7054.44 10689.54 3053.6 2439.89 818.03 3273.38 4580.15 2696.96 788.37 1832.96 4038.6 4894.89 7360.87 6634.18 651.88 903.47 1032.95 3040.95 918.29 549.92 2610.12 1670.09 8727.39 6674.62 3323.36 5144.7 12217.97 5806.16 8278.43 4137.65 997.18 10533.9 942.23 3512.03 3336.56 6201.85 5867.49 6992.24 3370.3 3960.65 3907.7 2395.39 2558.57 565.74 6337.11 5180.98 5641.16 6578.31 12747.25 4985.77 5784.73 5500.88 3809.3 4929.5 3657.39 6198.24 4996.8 5515.5 5499.51 5224.71 5402.07 5937.1 5643.3 5649.63 5409.43 5634.43 N-(beta-D-glucosyl)nicotinate 12320.83 11942.98 4023.55 8583.18 18582.01 16345.5 8217.28 19543.46 17691.34 11444.27 12292.44 13005.49 5914.93 12088.13 12341.63 17078.45 8669.65 21645 16506.76 26462.38 10984.48 6957.2 7232.21 5724.07 10974.33 8096.78 4128.76 7288.7 12445.54 6745.38 7258.5 15093.8 9406.93 5999.02 6487.79 12592.17 8301.42 1461.79 8572.02 4551.45 15473.17 18060.15 9547.41 8190.59 21439.47 10765.9 21482.48 16715.48 10826.34 17446.52 10426.44 11637 11165.82 8669.97 9881.51 11876.99 5393.68 5987.22 14633.27 1301.89 7371.72 7899.28 12248.55 8501.52 13175.38 15013.46 22126.46 10690.38 8606.47 11413.88 16662.37 12003.2 14338.32 8785.87 9179.84 13711.32 13919.84 13926.27 13586.63 13914.23 13704.6 14479.36 13916.71 13919.77 8-Hydroxyeicosa-9,11,14-trienoic acid 3145.24 5645.41 3796.71 1782.1 5523.85 5305.83 583.66 5942.92 5526.81 5466.51 4050.23 5305.15 5377.29 6166.08 7419.53 4914.22 4200.75 4544.19 6929.64 4266.29 9094.53 2090.38 5135.66 5531.85 6679.68 2833.04 2934.8 3216.86 7721.4 2311.69 1525.13 7246.47 7349.38 3292.55 3161.96 5473.61 5489.07 2660.34 4348.3 2997.54 4495.33 3477.64 5101.41 4174.97 6778.67 4394.57 4501.99 5897.16 5483.5 2660.19 3797.24 6938.52 3550.69 4417.5 7318.29 8728.01 535.55 1453.56 8012.71 6729.94 4212.63 5106.3 6654.72 5391.39 4140.74 5873.61 7214.22 6112.38 3605.05 11796.03 5602.98 4877.61 4313.74 4313.51 3005.58 5410.16 5349.54 5441.46 5342.49 5407.92 5421.78 5261.76 5185.38 5410.66 Cysteinyl-Methionine 2889.66 6013.48 1624.39 2407.89 2757.45 3121.01 1163.63 2173.18 7151.37 1795.95 1343.68 1862.48 2888.35 8137.1 4469.69 3704.86 2862.16 8180.8 4066.43 7911.42 1590.46 872.24 362.2 1938.14 1912.05 906.67 1697.53 1468.07 2939.08 1621.95 2525.78 8945.09 830.34 368.21 2358.54 3019.18 657.74 1293.62 386.79 1926.62 5715.09 8250.72 1656.64 3980.29 6531.54 1381.75 4655.88 1943.57 3452.63 13386.88 3434.55 8192.22 733.56 3671.15 9435.85 3684.61 2062.05 320.03 871.47 964.76 1116.56 622.32 6043.94 2439.56 2371.8 3122.71 7300.41 2099.97 14591.6 3290.95 2444.38 2781.69 2573.36 2510.18 1578.61 5161.55 5497.82 5450.68 4598.81 5632.78 5733.42 6905.67 4555.92 2742.78 (2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid 13766.47 10532.79 3409.29 7154.48 14363.82 16084.09 11990.37 18571.36 23217.32 12226.86 6182.11 30597.35 7091.12 6821.89 10642.88 4162.44 1431.67 10413.28 19955.15 23412.35 11245.46 11105.19 5164.22 2353.41 5557.92 18725.62 2562.84 3612.32 13909.69 5084.23 3301.97 8024.79 11309.28 5230.1 2322.7 6803.68 5349.48 2325.31 5669.68 1418.53 23170.35 13285.18 6455.9 7545.64 20920.87 17386.36 7403.81 6467.45 3678.99 32656.86 6354.09 13176.56 2439.09 730.02 6100.81 6153.23 1131.59 1527.99 8183.56 8442.59 3508.48 3869.16 14233.64 6569.61 5269.22 6227.35 28407.25 5076.45 3862.32 12834.11 17780.26 17565.47 8216.15 8502.1 7180.05 14172.56 14090.9 14902.03 14375.54 16221.47 14061.13 18592.86 12957.25 19927.22 Osimertinib 24835.17 2647.61 1040.95 1973.32 6900.44 986.67 5515.73 7125.04 7809.1 3318.48 619.49 17598.14 2717.79 911.52 1424.99 1209.96 2428.67 15682.05 2298.58 22542.92 2074.44 945.07 1969.22 1226.75 19022.83 771.05 2197.8 3766.36 10934.43 4376.49 19000.86 13573.33 2557.82 2063.4 459.44 4993.21 5262.53 923.75 574.66 408.46 12326.4 16818.63 1165.86 2541.29 35319.74 4252.75 5582.96 5221.92 304.27 5571.78 24075.16 5876.65 645.14 3731.91 2032.76 2350.49 825.43 596.67 3901.26 1492.78 2728.27 3388.81 6283.19 1451 1599.06 16146.12 4824.09 1587.62 7470.37 17823.46 6592.06 10182.27 5407.62 716.82 11264.58 7636.66 6776.02 7429.6 7593.84 7992.44 7936.87 7310.3 8174.31 8219.05 Asn-Trp 74931.05 41163.16 29837.88 19438.77 90449.69 10620.05 59643.94 109783.19 122412.04 58186.99 85848.19 136307.68 117423.02 11529.92 112636.51 89538.48 66935.93 164631.66 96444.76 198952.01 82240.64 22069.28 27906.21 6516.17 70649.6 58674.05 35482.08 55881.31 132089.64 79005.93 111919.09 23773.48 69141.17 1183.16 39353.63 113167.73 73012.77 3002.93 62611.4 26080.05 203727.63 124291.47 15215.65 70662.88 168078.75 59119.65 166050.69 91259.52 61556.46 115050.19 76482.34 65764.95 56117.89 42591.06 85166.47 46594.02 20485.55 13116.06 92562.14 5672.24 49227.49 19065.37 76195.06 40814.7 46644.58 119092.52 128008.65 77188.3 89119.63 91698.31 92528.36 33266.33 57677.79 9563.9 75265.23 91047.09 92750.23 89714.6 91025.46 91032.03 90082.76 90074.67 90213.21 91336.8 Rotenone 1606.19 1159.34 846.65 491.04 438.94 2161.64 338.86 2820.01 3461.09 1871.88 903.72 829.07 500 210.33 7088.91 1827.93 357.38 912.97 414.82 5832.44 305.21 199.8 615.1 609.63 189.14 414.74 278.29 425.8 3205.1 1026.82 1740.65 457.51 387.78 596.08 632.15 1188.3 3004.74 353.09 226.81 159.54 1238.12 3548.69 928.53 565.55 3403.86 753.03 9593.37 1154.32 1476.34 1898.78 224.55 987.49 818.28 642.39 2076.49 2528.96 665.42 423.15 1498.68 932.59 708.4 923.08 622.29 584.83 2209.84 3224.97 1095.97 197.55 2379.44 1144.69 5528.61 1808.79 4493.22 2791.44 1132.32 4204.8 4174.21 2442.21 4216.13 3807.24 4371.54 4027.87 3925.66 3947.86 Omarigliptin 4634.64 2235.18 3567.35 19556.38 45013.62 16287.14 37546.23 9478.61 10874.41 6403.94 8305.84 27480.3 34995.52 7443.2 9380.92 34355.5 9785.88 7498.34 13672.52 7472.79 9305.35 1411.88 4897.97 3075.74 7728.42 5547.74 2658.87 5034.25 3898.86 15567.24 4175.35 28097.21 6784.81 4526.36 4784.89 6717.15 4453.15 1235.01 4394.44 3908.94 39812.65 6410.77 9624.9 10847.37 28566.04 41402.23 9253.89 5332.09 14854.12 47322.19 10529.6 2794.97 11775.42 20276.91 11108.93 8463.78 1640.91 2540.98 5339.89 9721.24 5504.35 7892.85 10403.78 3160.41 16003.09 8319.53 4469.83 15145.11 10115.81 6419.54 10497.52 8007.75 11920.4 6930.2 30197.81 15077 15622.01 14926.61 15496.48 14851.11 13713.35 14851.33 15486.1 14667.95 Ceritinib 12342.34 6558.16 1601.82 8380.66 11475.53 13257.38 10146.7 19691.48 20171.77 13100.76 14801.65 15452.79 13306.06 9513.76 6664.18 18498.33 8007.61 21479.31 22964.29 13189.1 10747.24 8453.2 6992.04 2020 9234.26 8173.52 2114.22 5950.92 12183.63 4939.31 5637.61 12238.97 4609.26 3295.59 4745.17 1674.33 2473.12 1994.9 7851.94 1333.66 20582.67 14836.46 9123.81 6616.97 22086.19 12248.21 11988.45 10191.12 5892.21 14533.4 6322.3 9279.7 11504.07 8528.34 6274.35 6862.43 2966.38 5186.62 14320.14 1037.4 6959.31 8088.96 7864.29 11438.72 17376.25 11403.54 20382.27 9335.53 10674.04 2542.49 10531.63 13589.94 11373.63 2782.29 17534.14 14830.34 14517.33 14796.96 14825.77 14528.46 13166.61 15756.84 14899.08 14662.5 Olmutinib 9117.74 537.85 161.66 159.83 9335.46 62169.87 17631.75 8965.73 2857.86 37628.2 8351.32 9719.86 6765.23 278.38 1434.02 16720.94 19213.33 1974.58 2549.97 16434.69 484.81 28419.96 411.41 6859.43 224.7 83291.95 224.7 5391.73 221.07 5457.32 4106.98 494.49 10238.99 764.42 6258.49 6890.07 404.1 42562.63 880.56 3503.45 6832.08 4413.7 454.88 7471.63 890.13 159.87 12941.21 330.42 8565.94 12044.78 8314.77 4313.28 395.05 319.9 10302.88 278.91 9394.29 636.43 13865.45 105686.86 933.71 2695.51 726.63 187.6 567.33 7700.7 1922.68 176.66 8501.75 548.14 390.31 43365.65 593.97 7076.56 465.18 19005.3 19389.58 18967.04 19167.68 18911.46 18947.39 19268.12 18944.93 18443.48 11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-dien-1-oic acid 47394.34 10910.96 17479.99 10687.61 26963.38 7486.96 23311.2 77076.69 17003.23 12782.26 19923.78 105182.91 423620.42 33790.03 26113.58 65151.38 15756.49 37933.36 175648.41 6544.35 45500.19 9427.05 51636.76 13815.46 28771.8 2588.42 9872.45 8881.99 25336.61 15479.71 6949.44 14134.25 16769.69 27243.19 10655.43 31249.03 44443.01 3143.09 53748.46 6688.41 2498.57 34996.69 38254.58 14473.68 13653.31 17337.43 30262.21 56493.11 45377 43389.42 76347.99 69088.16 223914.37 34212.81 34438.98 11796.37 191657.37 4255.02 33160.63 8103.12 37848.03 298407.63 24021.08 50552.12 21245.37 39445.83 7737.16 50811.41 12575.75 69659.29 1005.58 22973.28 32003.67 6982.24 63126.59 51383.28 51369.99 50917.77 53225.22 51374.47 51298.89 51234.61 50738.73 51145.62 8-iso PGF3 245488.37 75858.93 4773.13 52888.43 441753.11 47374.37 148016.81 351474.66 534239.98 73238.25 88562.31 876246.13 191211.65 234861.44 179034.08 165303.72 54949.44 282297.47 215322.22 258008.29 329446.1 1186.65 10959.67 31756.78 193901.51 35384.98 35845.43 44771.47 143284.08 121313.27 102419.4 47302.35 31250.45 30396.8 31114.6 86266.81 151777.92 16177.32 9260.12 17424.06 368929.72 274481.27 21235.45 77108.37 690146.14 202951.85 597334.62 141165.23 62547.9 375772.4 190166.71 92183.95 28679.06 107292.96 141332.56 36942.2 6767.65 20307.22 151101.17 48899.28 50647.62 54869.54 96434.87 18600.74 58400.95 284128.59 311658.56 312589.22 354907.26 199170.13 149604.14 73586.25 92944.92 78370.02 377356.89 201172.85 204079.67 207972.27 203789.5 208491.17 193576.86 209347.61 196929.54 219659.13 8-iso-17-phenyl trinor Prostaglandin F2 2381.31 342.81 2438.43 12632.7 660.46 13889.91 8468.82 1938.3 1242.68 8123.65 3900.49 18225.18 37556.03 48564.04 1449.71 5369.9 6818.54 5203.36 30840.54 6820.71 319.35 3524.93 421.4 445.13 2678.66 2167.82 2012.04 3435.56 3841.13 4021.14 640.78 15744.79 358.46 731 976.95 1555.49 2637.67 1050.04 469.41 2797.53 10073.5 2557.95 2999.6 3715.09 15307.83 26268.7 5765.89 7881.76 6814.45 65928.85 2266.65 3250.32 4497.02 9463.61 985.99 509.3 635.15 1452.9 4906.5 672.89 520.57 461.35 2370.9 5661.46 5366.83 2085.43 6239.46 6094.95 4681.3 4303.43 969.43 2321.49 3672.72 6665.77 10079.72 5276.6 5659.81 5634.99 5814.27 5745.47 6178.37 5837.35 5788.58 5669.4 NSC250429 24983.8 35713.69 58659.91 78967.94 32493.17 43988.95 92954.97 34942.16 33640.68 58651.97 110172.02 111765.87 125686.82 91274.94 32832.87 96477.59 75402.3 30972.39 99965.42 31162.47 29767.03 27081.68 80548.93 69339.66 23806.17 23435.25 48048.87 68025.29 26455.81 75950.9 24475.31 86017.89 19966.25 63258.1 62264.22 23922.86 26305.23 12022.94 87857.82 44723.26 40244.95 37857.15 90088.84 87683.14 34295.34 96856.44 29188.55 75454.45 57955.15 100022.37 29719.19 32581.02 88220.6 99997.02 31663.26 31743.78 48262.19 58239.08 30172.19 30192.5 84765.2 86049.11 33882.72 92187 76745.13 38393.28 40168.67 93727.9 77290.87 29772.45 22488.35 76542.27 68655.57 91381.35 95292.19 5104.34 4959.94 8082.65 7397.88 5842.0 6428.24 7688.38 6808.78 7067.66 5742.86 2995.62 4968.79 4585.54 5495.04 4643.76 3089.51 4626.18 4515.22 4637.66 4500.76 3377.91 4751.53 4337.81 4861.24 4322.37 56509.05 56414.24 56457.32 56967.32 54645.97 57022.97 56597.61 56392.78 57426.88 PG(16:0/0:0)[U] 29571.65 51345.12 43160.41 38862.96 47365.7 57037.72 122331.23 38923.39 67257.65 117746.54 50127.56 81160.89 73069.38 117800.14 56490.93 87734.35 75850.44 38069.62 107549.91 31457.01 30680.28 25771.4 7425.63 15441.31 17688.27 20551.06 18222.98 10225.01 16159.44 17124.27 44528.89 24183.62 10928.37 12957.75 18939.81 19745.9 16358.26 37163.35 10987.86 27139.31 50454.64 56725.11 47713.2 49960.76 83030.41 85986.19 70646.79 54869.66 22163.3 84809.19 71196.03 30144.29 31886.31 60811.6 30079.56 62227.79 34863.38 37153.6 35730.79 61704.33 24852.94 40778.73 28501.45 62349.02 52555.97 58053.68 96172.2 97325.46 59011.45 56036.24 70924.51 56765.55 36870.71 47399.9 71196.63 64744.57 60487.19 64476.22 65965.2 65900.08 65676.28 71185.15 65974.4 64420.92 2,3-dinor,6-keto-PGF1 802.53 4637.88 1740.83 1417.47 6996.16 40996.85 4274.4 6585.06 10972.71 15221.78 4212.23 6742.97 27041.18 58308.4 37416.55 7383.45 15983.09 13066.26 37033.12 16065.23 722.13 575.8 248.08 256.93 1831.32 2162.82 1738.45 1476.55 4444.94 3125.82 1493.75 1041.04 435.92 515.91 355.19 2132.96 1861.1 441.71 2056.3 241.76 3025.15 12623.98 3253.7 720.67 12001.37 18999.19 9924.38 6379.09 2845.21 12058.21 8857.06 4630.06 2196.78 2446.11 1352.27 12725.85 1642.01 1239.05 1244.48 2794.32 3013.93 2142.63 4156.3 2734.7 3801.65 7575.09 20951.48 5766.61 6193.96 2264.4 6813.56 7998.58 5915.58 6040.16 9845.22 7512.53 9606.41 9676.7 10124.22 9750.11 10086.64 10459.16 9654.94 9756.91 Val-Arg-Ala-Glu 3023.36 38590.76 39870.97 91146.38 8788.94 37872.27 2153.24 4291.44 56074.51 6501.21 43258.12 4131.94 2542.89 3094.8 10714.74 174055.52 116001.08 28876.72 29684.58 29545.37 10566.88 4426.24 437.33 3236.56 3096.12 17933.39 3669.72 1311.74 10424.18 2952.61 3209.49 1352.94 10603.79 6038.57 39645.04 3109.71 21435.76 1825.39 14759.79 2606.63 22485.94 2574.49 54829.19 28606.98 18727.01 6657.08 3897.71 6070.04 518.96 10361.47 771.17 12067.9 39273.67 11168.25 51729.18 8013.21 32912.35 43224.96 27818.53 5625.34 150031.82 8508.82 87254.85 175701.67 60009.35 3472.02 2457.06 9724.44 35918.37 39841.53 32889.86 40994.38 30890.63 158855.09 19473.06 22970.97 23687.72 22800.76 23732.79 23724.4 23791.73 22580.23 23945.4 22149.73 17-U-46619 15609.99 7317.47 647.92 543.32 30369 7701.3 986.17 25003.81 22149.32 5591 489.9 22863.4 629.62 4050.44 30549.4 9718.84 1027.06 13772.65 585.41 75190.97 51149.07 688.95 399.16 1079.18 13958.06 9126.66 269.64 3487.88 744.17 618.96 13336.38 1286.19 10121.48 1668.07 426.01 10133.16 8691.04 2145.73 2497.31 2313.25 15901.27 28395.69 2607.07 423.82 25669.14 637.98 46493.22 2831.54 1003.13 557.71 8119.08 3578.34 2395.78 270.57 14042.8 4980.9 486.79 944.92 5478.92 15719.89 345.41 645.21 41428.32 237.44 364.96 46041.45 41550.44 387.69 11348.82 29089.39 13944.6 9232.13 551.76 3016.9 584.56 12550.08 12816.07 13146.46 12523.33 13178.24 12521.47 12457.36 9808.64 12665.17 Lys-HoPhe-OH 9335.34 15868.85 9880.73 15067.96 15040.19 16943.36 21745.03 17992.83 22580.46 19750.64 20399.68 19806.14 27488.47 18918.41 18796.84 21139.08 12413.41 23781.61 28006.74 23008.79 13964.94 10543.24 17506.9 11579.72 13057.11 18049.15 8649.05 12750.46 21314.14 29905.34 5205.98 22569.73 10926 13590.92 11012 10960.15 4309.96 4582.74 16046.25 7179.43 30678.19 18242.46 17955.42 21714.06 25380.57 26650 28400.48 15734.83 18284.25 25179.7 16197.57 11965.81 18929.81 19841.7 12800.32 8424.43 7507.66 9363.26 13523.1 9520 13093.67 15256.21 1552.97 15584.66 13304.96 14209.76 10788.65 22277.42 20220 13992.6 12439.92 23008.18 12156.02 8810.97 19116.18 17214.75 11273.76 13040.98 16805.44 23296.54 16573.8 16376.09 15310.89 13177.62 12960.14 26882.9 11733.48 21311.27 13542.7 10704.28 18132.63 13965.45 12332.58 21183.9 11845.95 9769.04 11893.36 9290.1 12992.41 10517.83 18191.97 18542.41 18874.55 18436.4 18853.85 18238.56 18992.79 18184.76 13862.02 L-a-Lysophosphatidylserine 17172.8 16872.02 21881.46 35905.12 25253.37 30887.87 37803.89 24939.89 28953.58 29880.01 28121.17 25669.12 11350.81 31325.41 24701.49 37046.8 24353.93 14853.1 47500.42 28889.83 21876.12 15029.15 16946.4 25985.23 16947.92 9687.01 7097.44 14235.78 5556.08 11503.78 20527.97 19253.28 12588.14 20268.97 17902.35 5609.34 10156.61 7547.51 10520.2 9719.84 13306.05 13654.36 21350.29 170786.9 78182.37 33761.04 23588.12 16196.95 18724.98 22863.1 14255.61 18329.51 28554.59 19814.46 14628.45 13814.17 17412.69 22588.34 15549.48 15063.07 2015.61 21465.78 28435.42 29894.61 20433.98 12429.88 23492.78 24796.37 22441.39 19122.93 15123.54 21507.57 22467.5 29023.03 26605.12 7851.02 74801.4 4666.51 11916.38 64886.4 13607.84 70296.42 15211.07 46293.62 12126.47 22292.79 15197.88 65576.14 9316.06 5563.72 2346.19 9845.88 9550.44 32062.52 5189.03 11352.16 8086.08 13924.63 19316.23 104253.27 34853.77 30769.59 31852.81 29795.52 30391.15 31780.75 29348.99 30809.47 31776.15 Asn-Glu-Ile-Lys 15443.99 13312.3 2493.33 6531.63 11381.15 12305.84 8163.56 18708.73 26288.67 13243.63 7636.91 18480.74 12181.32 9303.73 19065.3 10239.66 6029.81 14926.18 14522.53 39561.12 11161.76 6185.5 4537.06 1354.38 13124.45 6177.74 778.57 4406.04 19862.59 8098.7 9397.93 9577.5 10165.22 4903.75 2984.5 12773.85 10715.73 2394.49 8958.41 3822.93 10419.82 15583.04 8541.15 6843.86 16002.74 10757.73 34448.2 7178.98 2944.87 19139.15 14026.82 9220.32 8123.4 11296.31 17149.6 11433.18 1294.69 2543.23 7537.66 8093.39 3594.56 6860.9 12052.64 6558.49 11612.46 24046.57 20191.62 7415.47 8917.9 23065.87 24220.56 18106.01 11255.16 11040.07 6397.86 17419.93 16584.77 9143.31 16210.27 16699.91 16690.25 18941.04 16279.16 16108.51 Thr-Lys-Pro-Arg 5494.85 2215.76 22421.57 11414.01 18794.69 12451.33 2944.06 6300.36 7067.54 4825.97 838.13 9294.77 649.9 4052.57 4956.56 1039.61 24918.6 2821.96 3392.84 3073.41 1753.59 2698.63 2219.04 1956.97 2110.29 1423.27 1363.05 1625.69 972.26 2275.03 3427.11 5619.66 2537.81 756.11 2235.04 2821.69 2218.01 1212.31 2373.37 1063.57 3589.98 3274.09 3517.01 1247.57 16117.55 4267.5 2766.42 2176.57 3005.43 5814.5 2557 2288.5 4271.99 2479.13 8514.88 4082.39 6817.36 6499.72 2477.1 857.59 3468.41 679.35 7384.53 1528.25 2391.83 1723.19 2865.81 881.2 1258.53 3945.86 6327.67 715.34 2992.41 5568.82 926.05 2995.18 3001.93 2740.34 3292.96 3103.01 2997.65 3172.65 2993.92 2979.4 Asp-Leu-Ala-Glu 20168.63 7779.1 663.82 332.35 49525.88 55373.02 6497.42 66697.32 54553.16 9750.18 4251.84 33502.73 769.56 8642.35 24974.66 4546.4 4440.66 24746.75 2037.4 13758.47 39916.24 10408.46 1933.1 577.43 19272.63 38109.9 1468.81 1255.4 98914.87 16013.47 7101.25 13665.76 21746.6 4196.96 4093.36 15524.85 17124.25 8414.04 3492.04 3290.54 38437.24 44228.41 467.89 737.26 76280.12 4031.67 55016.29 21923.51 5263.42 786.21 40399.02 28299.36 5373.8 396.26 76587.41 26464.14 5132.25 568.94 57642.48 135437.59 1373.45 2578.96 47423.9 1880.23 1156.98 19518.08 23586.38 2704.64 664.93 74582.92 43368.76 5276.13 1076.51 3723.19 3567.85 1131.98 1963.72 723.19 1628.84 1126.49 2640.4 2230.87 1586.04 522.51 936.13 1395.07 1963.16 1840.56 1866.38 2066.35 1916.73 911.29 789.17 1944.33 1947.24 2006.02 1106.0 1462.99 25993.12 26154.94 25514.1 26664.3 26183.52 26197.36 27599.01 24495.71 26802.79 stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside 4847.19 6437.07 5973.51 11006.65 8857.69 5011.18 37186.99 9061.63 8741.19 8283.76 18505.4 17479.98 20399.89 12868.25 6740.82 16031.45 7462.92 15331.82 22926.65 8771.65 6154.29 4768.55 7118.05 8584.67 2340.36 3217.74 4898.08 7076.62 8003.69 1037.32 8484.83 20752.3 5842.64 4271.6 5958.89 6344.49 4523.96 886.62 8973.11 4258.62 5482.52 10694.29 8546.72 10606.2 21224.42 22628.06 8891.74 8799.06 10882.24 24695.84 4573.25 1969.51 6289.18 8826.97 6689.5 3276.17 490.56 6922.25 7428.75 4772.4 6294.12 6871.37 4507.84 10127.64 11354.42 9355.19 3535.8 9332.73 9202.07 6108.42 7568.3 11605.45 16586.08 12063.68 10994.22 11297.04 11385.23 11484.48 11947.18 12132.54 12010.39 8963.81 12026.22 11460.42 Nap-Abu-OH 9829.07 9870.83 3235.13 2285.84 8552.58 3107.56 3369.13 14146.19 13237.73 2391.22 9038.45 3728.8 2895.65 4850.5 3341.86 18400.17 40340.7 27820.99 9884.5 17815.52 9689.68 2467.07 802.28 5135.42 19788.45 8331.85 9361.5 3646.39 1591.62 5233.09 23039.38 1965.92 3478.52 2093.26 3937.55 9386.53 22375.54 1615.96 928.88 11855.69 15390.11 12840.21 4346.09 3827.53 14113.54 1939.13 21033.92 8439.91 7147.29 7592.87 7348.96 3545.4 2030.55 3363.21 11921.33 8696.32 5411.17 9480.24 15972.88 1238.77 6166.56 939.19 5605.76 16650.95 18103.8 12494.77 6913.04 5898.2 13194.68 34391.79 18644.87 19104.61 10816.94 6947.14 5638.51 12091.94 11134.71 11368.42 11502.78 11382.19 11905.19 11902.06 11330.8 9275.67 N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin 3303.88 3849.69 2586.81 4992.58 3469.87 7944.82 8182.43 8482.46 10367.4 8512.59 6965.34 6041.29 12852.21 7080.28 4794.89 7473.62 7898.97 6782.43 8978.42 6688.71 5865.82 5365.38 4319.81 3634.89 3960.05 1108.85 2897.15 1894.97 9397.3 2925.25 2800.55 2466.38 6336.99 2439.27 3673.04 2624.91 3331.18 1601.56 5551.84 2453.12 6418.07 4691.03 4921.78 4073.33 6441.23 2869.77 7616.05 3165.43 2505.99 5143.65 1903.59 5897.87 4057.73 3731.22 4592.15 4501.24 4662.9 4219.15 10153.87 3795.18 3625.56 6933.73 4823.85 4468.22 3903.12 7380.53 6413.23 6248.98 5455.82 4531.49 8079.71 12777.99 2770.1 5123.38 3466.58 7221.59 7087.91 6582.54 6701.23 6961.28 7037.15 4736.17 6512.17 6971.37 Leu-Glu-Asp-Arg 43317.93 45231.84 36588.6 98323.87 62241 111978.97 75763.96 83525.03 78494.66 54229.65 85838.27 222126.5 92898.92 96656.25 81348.74 89977 73544.17 90736.54 83517.36 114307.92 106736.26 73938.31 40609.06 40137.5 33136.79 120454.97 17803.45 47006.14 59947.63 66281.78 70174.73 99539.83 40997.4 39391.89 38552 33650.02 92163.78 44553.31 41345.32 29647.86 82524.3 114658.02 89994.26 94784.96 207987.58 97368.21 147450.56 80786.61 63110.06 148309.28 124555.22 107372.21 75760.33 84955.32 152882.65 173259.9 47512.77 58796.36 61859.5 90959.49 51292.87 37638.8 45563.16 90198.74 81580.53 76748.76 119396.02 55755.33 82288.75 64716.3 114858.54 101418.92 82661.88 154753.73 84334.7 108063.02 107565.12 110599.68 103149.37 106597.87 108141.15 110626.07 128328.78 95816.34 Asp-Tyr-Ile-Glu 14259.24 12914.58 5614.05 10091.58 25222.37 32317.01 19641.48 18879.58 31335.6 16101.94 14934.34 17323.04 18595.01 14439.56 30139.57 21794.53 8435.42 55380.37 22998.43 65045.52 18163.77 9658.76 10028.68 9481.35 8922.79 11792.39 2460.09 3670.93 22358.64 5068.88 6209.57 18774.7 7287.19 6844.1 5532.91 16502.76 5186.3 2501.6 9580.08 3602.11 40216.94 28822.79 10477.12 8784.85 49902.42 17445.31 35231.06 11062.48 6201.43 16673.32 12230.73 33262.78 15116.76 11739.45 19894.63 16922.75 7291.99 6780.93 20004.92 12907 10761.77 13844.54 20066.13 15871.33 10917.99 13862.3 33436.01 7106.7 17979.97 20482.42 16825.89 16894.15 10617.24 16888.87 17851.52 20783.23 20970.33 21574.25 20931.76 20828.1 23735.75 20767.79 21599.34 21567.05 Arg-Thr-Ile-Glu 3155.76 2295.06 1310.87 1208.8 4324.06 947.73 585.46 5629.02 3369.28 6480.41 6451.14 2172.68 3983.49 4086.77 6395.82 2569.02 1286.32 8569.71 5995.02 3933.95 3275.52 895.66 2028.23 1234.15 3152.69 2270.95 668.83 418.95 4460.83 4229.05 4129.85 6674.08 2970.05 687.9 1343.98 5616.72 5903.98 947.76 446.09 679.27 1410.2 4271.16 2770.55 3008.42 5879.24 1490.04 5229.43 4807.81 939.14 4172.81 605.91 2867.67 1842.82 1236.15 3637.5 2213.5 1527.51 5444.1 6048.36 2210.21 1703.56 971.51 3101.74 2820.53 2103.7 2661.05 5660.91 755.58 3209.7 3342.6 644.55 3686.36 2192.71 1524.21 2058.07 3537.71 3540.89 3789.6 3722.85 3444.87 3585.54 3623.5 3743.75 3427.71 Lys-Glu-Thr-Glu 17731.92 11495.86 1836.06 2665.52 46079.25 22818.52 893.26 58516.2 40723.53 9856.79 8219.3 35113.69 23134.56 17064.17 20271.72 8677.5 2538.39 28923.01 29469.49 71399.98 23166.83 5675.82 4009.34 1784.01 10724.97 12354.52 2401.54 2451.69 13023.93 6482.95 29656.19 37629.96 10818.6 4298.86 1733.65 9584.58 18501.66 2919.01 4437.86 2248.09 46061.64 19759.68 4546.31 6029.71 54525.93 19216.03 32525.52 5385.7 10471.25 30335.41 27442.96 21685.82 7838.05 6177.38 19438.99 6560.84 1814.9 3234.01 18301.11 8949.88 9078.03 8309.89 10506.38 7693.42 10573.32 15570.6 47482.19 7373.13 6767.58 47991.3 28877.28 16277.71 6466.81 2993.53 8191.87 20420.72 20411.23 19779.67 20781.17 21877.84 19325.65 20238.98 15713.15 19675.14 19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5S,7S,9R,11,15R,hexamethyl-8-oxo-2E,10E,12E,16Z,18E-nonadecapentaenoic acid 8492.61 9456.2 1622.15 14322.79 8787.53 1017.62 10062.64 13162.7 11011.73 11031.67 23468.97 25187.17 12243.06 15896.34 5049.65 12799.2 4781.73 5076.54 11394.54 9694.01 17700.56 6870.76 15358.72 37717.47 22754.3 17283.23 12521.75 39815.3 8438.26 31860.49 24687.82 10457.88 11624.32 4986.27 7290.25 15290.08 34228.27 5352.54 23225.71 29310.68 5200.29 33263.75 33517.13 18692.75 15003.42 13673.08 16139.8 41214.81 9648.01 30048.64 13567.84 28165.59 24410.3 39689.26 8019.29 23408.48 11429.12 10086.45 36291.63 21595.69 27521.28 14639.36 10753.47 22263.67 35001.8 26353.72 14815.74 15719.63 14998.46 11080.81 7361.66 10656.83 42372.74 20291.83 23060.62 14049.3 14150.11 14018.22 12407.15 14207.57 13987.68 12839.96 14074.94 13287.87 Val-Gln-Ala-Arg 129983.82 98664.65 126033.21 151414.9 27444.59 54027.35 52659.84 85663.51 66413.76 97496.37 154309.47 97174.98 53977.21 122509.92 132710.13 42810.14 159142.43 77559.93 129049.1 58546.38 97205.16 184920.47 68434.24 138778.14 162946.01 279549.36 327744.23 156293.54 139493.02 173056.7 176779.73 94335.09 285373.25 162546.72 224161.99 171148.19 204876.12 122946.63 133416.81 230754.27 92654.26 141501.6 127338.82 180539.79 96770.25 131269.21 77551.22 151580.4 145179.07 69823.23 177152.94 93182.7 139463.34 116842.42 106547.4 171951.15 241416.95 298262.54 122252.73 148881.57 104747.05 169124.43 94653.33 65255.71 166482.82 90430.85 84407.62 103493.49 123258.86 87394.15 102783.55 119994.09 126218.08 167878.99 80372.82 7966.65 5501.16 10608.6 12561.19 13407.36 4816.15 11201.05 5142.02 6180.64 16450.87 8094.78 2555.58 14435.31 5668.11 4994.99 5149.32 7787.76 15888.47 8208.8 12402.48 8200.47 10808.31 6173.06 11290.09 9702.45 105375.29 101585.71 102918.9 103614.45 105641.2 102084.86 103547.94 108703.6 105343.95 19(R)-hydroxy-PGB2 6869.29 4227.98 1492.41 2294.23 17581.73 12729.2 4481.31 11329.12 10662.97 3919.66 2371.35 14720.37 4917.12 3811.28 11519.4 7933.42 2432.84 3887.57 4356.19 5155.77 11197.23 4138.44 4737.02 3736.13 12700.35 8728.39 1228.82 3554.95 11171.89 17595.16 6701.18 7333.02 8728.86 2252.78 2016.7 4222.63 5144.9 2957.36 2062.35 1563.73 12882.5 22170.8 3771.33 3872.93 9612.14 4253.34 7840.75 22371.03 8234.71 5508.87 17861.11 14802.78 3947.72 4410.08 32699.36 7807.45 1345.85 1424.39 11792.23 13634.04 3564.1 4107.38 12475.82 3283.9 3768.81 10671.64 6034.82 1662.97 2185.41 5605.85 4539.64 4645.76 6412.28 3320.34 3765.04 7822.03 8255.76 8212.25 8343.25 8476.25 8368.37 8204.13 8309.58 8220.64 Ile-His-Ala-Glu 35516.79 114963.83 14058.91 85680.34 11568.38 1939.64 4101.77 2007.85 7911.04 24196.84 7703.41 121663.97 172500.35 189049.82 94105.1 30718.86 32471.05 178719.21 121478.48 265568.04 8168.93 11147.88 6757.08 9665.26 7506.19 16033.78 3317.15 8713.51 73150.76 67898.2 138981.84 159470.25 17385.61 6356.89 4628.4 28719.96 6930.45 3555.14 3661.1 8688.67 154419.14 79907.26 29071.7 38662.8 193482.92 114032.28 100643.16 62328.2 30049.32 283923.78 28321.22 160318.27 20466.57 74694.98 35382.2 82656.63 11685.22 17266.16 11102.44 7529.41 9560.61 17551.48 54967.36 19354.03 94334.49 32654.92 183442.03 28804.83 54486.83 9596.39 12605.76 25661.32 11778.45 62029.58 59310.64 73923.87 74767.66 66329.05 76327.06 78685.25 96769.4 85576.39 81957.54 75614.34 Leu-Glu-Tyr-Asp 11595.19 34237.58 8462.68 10563.01 22574.74 27119.05 3450.91 23441.27 20806.06 15186.7 24335.54 26253.36 20814.08 21171.84 24981.87 23685.64 24733.27 23658.77 56458.36 21961.22 11633.25 13506.47 13465.53 9285.39 14747.5 14187.09 6173.71 10633.81 13800.58 8924.8 16652.7 23752.02 8952.22 13321.99 20680.78 8670.32 14376.14 6398.16 14294.93 8329.27 36136.39 10699.75 19354.87 23283.63 63298.07 14685.41 23354.87 18854.68 9868.49 35170.94 13521.84 30311.3 19482.12 22216.76 18864.46 50076.15 7302.08 15277.98 14182.2 15366.76 15817.23 12171.11 8723.27 21735.44 22349.21 24286.1 43516.6 19579.98 20828.27 20434.83 21647.31 24711.04 17970.79 24231.91 22116.65 21021.19 20210.13 19521.81 21041.28 20984.84 21500.35 20975.15 19984.14 19859.08 (1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one 1305048.06 1351752.37 325041.39 4714312.55 898989.96 11287783.07 4069845.69 2099714.68 1107447.76 2816533.46 999310.46 1457525.87 11023340.79 13793063.76 2978550.69 1117690.9 2113098.7 2853926.59 2870817.94 2921273.62 443698.64 563665.35 504719.34 744975.07 214987.55 360849.44 74550.62 358529.35 972334.16 1566541.65 3036738.13 5808451.12 302175.92 805643.16 590189.09 247810.34 169798.79 231086.66 564674.6 195934.08 6881764.68 1465285.99 446962.12 1453125.98 2157593.85 1598802.98 1005612.48 697833.67 885423.6 4585085.94 1422400.21 5045542.27 635358.19 934127.73 660416.65 893526.41 454857.57 650946.5 521072.35 714136.21 633922.15 446552.41 638609.55 1014612.53 723338.3 1260706.64 3402796.53 1369006.12 491170.43 470588.09 1189276.97 2403152.12 916681.3 1972640.89 1467854.29 2977.12 4016.25 2508.06 3461.35 3087.48 2714.29 3332.34 2947.36 2918.43 2283.91 3459.23 3016.03 2924.05 3214.63 1926.28 2283.99 3076.54 2987.25 3282.99 3236.66 3408.74 2934.47 3324.22 3413.83 3315.55 1517296.49 1494707.96 1538331.83 1514709.5 1510798.97 1517648.4 1519120.38 1493042.19 1493079.71 Misoprostol(free acid)-d5 1539.06 1172.47 260.5 1422.47 37467.14 30445.58 16805.42 1249.25 1108.39 466.99 426.31 833.68 427.38 613.74 1918.41 216.52 717.66 1270.44 1479.58 1902.17 652.65 1373.22 1126.72 403.93 662.03 1120.08 412.01 267.65 857.66 563.38 1220.39 892.57 907.46 421.35 460.72 546.06 985.95 505.61 293.27 754.21 5692.68 1119.14 442.53 761.1 672.08 995.64 933 657.66 376.47 428.21 355.61 677.24 594.55 608.17 1071.65 1161.51 291.89 631.73 1092.96 1664.46 1387.03 672.02 1013.67 994.63 938.22 1326.02 1621.61 673.54 1158.48 939.61 1566.93 1314.79 622.67 570.41 595.09 3077.18 3124.54 3034.84 3135.81 3075.02 3097.59 3234.8 3080.12 3078.41 His-Ser-Lys-Lys 19387.41 42937.11 47067.88 29823.68 43866.93 35910.44 56391.3 38416.94 48527.7 51416.33 26780.52 61364.12 40289.01 39566.11 32089.88 43320.66 57204.26 22718.27 45324.54 35189.25 30499.25 22633.92 9251.61 13433.47 16496.68 18651.54 15232.07 11850.39 15579.65 17489.59 26730.57 22755.75 18422.77 15434.2 16793.2 18510.76 19727.05 28174.37 12535.73 18389.24 30067.04 32005.28 31959.49 46970.71 48056.66 37897.71 41364.39 37936.01 18738.25 25298.11 62098.27 25340.58 19950.27 38170.15 32255.61 33468.11 30762.07 22110.54 23754.26 37294.45 19341.85 22710.3 26998.58 42098.96 37725.59 35760.25 35656.98 33080.36 47230.43 33322.87 47364.13 42129.62 32445.63 44681.64 29236.69 5735.42 4153.07 2432.7 4766.54 2938.59 4161.82 3980.54 3840.66 3800.77 3280.54 1383.92 3706.44 3307.57 5581.12 4192.08 1998.29 3803.6 3191.69 3995.29 1649.72 3517.78 3487.74 906.05 3879.6 3185.64 33665.21 33209.67 34409.48 33223.97 33239.56 32481 33653.45 33649.12 33233.08 Carmamycin B 1008.12 27.69 1581.25 28.05 248.57 28.21 37.91 30.55 222.55 27.7 419.36 27.69 40.37 514.88 27.69 75.26 892.33 208.59 78.08 1228.47 70.98 27.69 1084.49 675.54 1173.56 267.01 566.1 739 29.17 245.78 442.34 27.69 27.69 1221.93 570.37 56.87 1651.74 540.36 48.26 27.69 61.45 40.51 28.15 208.09 30.22 1733.65 66.13 27.69 880.6 84.08 2992.62 947.52 519.51 696.97 2872.18 280.19 1250.24 741.08 34.83 27.69 1209.97 27.69 542.65 383.37 310.32 706.07 74.73 175.37 629.4 27.69 30.27 279.1 59.94 27.69 27.68 145.71 85.08 84.6 84.64 84.9 84.6 84.92 85.1 84.46 Val-Ile-Asp-Lys 48216.45 25979.39 46199.61 61970.93 24071.73 28225.86 45034.12 29673.79 21228.77 37898.82 27116.61 26190.24 39757.55 35801.1 51692.69 13334.15 66936.3 22937.83 35834.51 24737.64 28639.75 48685.56 23972.33 38924.99 39896.21 80155.94 92393.48 56443.08 39199.02 50153.28 59346.22 23999.8 74215.37 39499.15 45598.19 78612.76 37582.66 36614.14 35372.53 102364.2 42870.56 34715.5 69887.71 75383 25833.55 44615.82 27784.63 35620.47 39425.02 24396.24 36212.63 44729.38 31360.14 32118.29 30188.69 55323.66 63185.37 51016.63 19137.97 50188.29 30149.03 44578.03 32055.51 22482.77 44425.39 27256.49 39076.31 61673.9 44784.31 32166.43 52921.09 37897.61 27793.45 43966.37 27047.23 34041.69 34057.05 35036.47 35281.87 34069.88 36507.23 31354.55 35871.8 34164.96 Acetoxy-8-gingerol 1187.15 3341.3 1902.13 4782.92 883.94 11718.32 3171.9 936.33 2395.78 4759.97 843.03 1311.19 4833.38 12086.23 1768.74 1504.66 2902.03 1142.23 7372.83 2158 1090.95 581.44 1596.12 273.68 975.68 1302.35 748.58 308.21 595.93 1070.95 1068.73 4584.73 373.13 376.87 348.55 1348.34 1162.73 609.72 265.37 851.44 1199.48 1210.91 690.4 654.1 2922.94 6642.04 1314.86 2592.16 1186.43 7350.92 2610.18 2787.88 1029.9 1451.36 760.67 1678.85 1687.69 1224 1795.99 924.33 302.43 779.63 2248.69 485.05 1371.17 848.66 6776.27 1020.42 403.59 300.82 1363.01 1796.35 495.34 1314.84 1999.03 2003.88 2566.17 2551.83 2561.09 2565.74 2770.58 2664.95 2615.17 2677.42 Ile-His-Asn-Glu 4154.16 3675.3 6826.94 6384.98 5628.6 3069.06 1955.58 5699.25 786.24 4891.07 6885.83 8201.1 10123.54 8778.64 1679.21 5654.45 3796.84 5290.47 7705.98 2905.09 712.12 1918.03 4910.77 5961.6 3007.92 2284.67 3486.91 3715.45 3636.97 3620.18 980.97 7093.03 1599.32 6139.42 5522.85 2199.59 2631.41 1503.73 6299.31 7422.6 3230.56 2627.03 9945.7 8726.59 917.79 7612.53 1317.81 5783.77 3800.15 6318.25 1900.3 1595.12 13067.61 11187.49 5134.54 3626.02 5123.65 7014.17 1497.08 570.99 7515.64 7393.85 3863.86 11282.91 3050.58 5922.99 2320.39 6044.13 6172.34 2870.3 2803.08 6673.71 7104.31 10357.16 8288.56 5627.35 5630.29 5632.59 5334.97 5439.49 5629.32 6027.56 5276.62 5622.67 Ala-Asn-Val-Asp 57483.42 81461.39 69129.87 47001.53 5115.59 2516.57 15230.92 25572.22 16507.02 55575.86 103373.65 59901.61 71282.75 128507.75 38356.82 35647.04 109110.46 52781.2 55197.06 52413.42 43300.83 37463.13 83737.69 76617.72 33651.36 55935.24 44504.99 77565.18 71650.86 90498.73 15119.29 160115.07 25040.56 54423.78 79630.59 67557.6 59004.37 23665.58 52842.33 66430.61 11225.66 40679.85 101068.08 84025.43 17590.84 63135.9 49235.75 32778.76 116005.31 86140.98 63305.67 78979 103764.27 102062.24 45731.29 104423.95 62631.78 83430.49 3125.96 72988.71 84673.81 77523.73 45047.97 62344.26 78707.98 20905.84 74321.03 111510.95 123332.3 38536.15 35292.22 67937.02 58873.01 82962.43 91645.07 40360.09 38802.25 39219.12 40303.73 40172.45 40799.74 40805 39135.93 40163.55 TyrMe-Lys-OH 19186.01 845.4 330.57 3813.56 5641.13 4102.54 3616.72 39420.47 40714.68 234.8 4358.06 578.09 470.97 654.85 66516.3 18736.07 1810.15 4686.7 3479.72 33752.13 9401.01 837.02 3631.98 2730.15 18567.36 885.38 1274.62 452.51 23509.8 48842.04 1178.11 5091.68 5224.54 2305.5 1924.39 6184.14 6738.12 983.41 500.7 1353.6 815.69 1673.51 3014.83 2744.61 853.93 3513.33 34215.17 1607.23 18451.03 26525.93 9753.05 762.06 3067.59 2783.55 4413.42 8646.69 292.25 2331.74 21847.05 657.08 4437.24 3237.18 9504.51 5542.06 9508.17 5458.26 901.14 305.64 7491.9 25378.53 22668.55 2903.26 16135.42 855.83 297.2 8623.88 8177.29 7917.97 8714.16 7988.52 8432.02 7982.67 8632.66 5080.29 Leu-Asp-Val-Lys-His 63034.04 33654.42 11254.88 20116.69 68887.5 8493.75 2039.56 119987.91 112821.67 77979.59 76994.3 136576.37 52797.11 50765.56 109964.25 130692.23 44539.3 341617.45 115849.76 95423.74 86198.96 56443.95 40038.42 31445.88 65821.35 39981.42 15365.11 24729.98 129693.67 84039.51 51910.23 108666.05 87211.07 45985.18 29913.16 94094.42 84224.47 12461.45 50159.05 20387.16 42429.19 89676.3 51830.96 40695.71 78129.89 56291 70025.13 43162.61 55293.69 107192.56 298987.64 59286.6 51986.02 28912.39 295003.45 79299.76 12748.73 13781.15 112227.33 39266.22 71378.38 77339.05 61823.1 64271.83 69195.9 78371.12 68652.13 80518.35 73079.11 87699.97 59454.85 92306.97 77934.55 63217.11 69982 68428.73 70715.46 70767.67 71062.55 70551.53 71069.68 71064.01 70545.11 70920.46 Ile-Lys-Gln-Asp 40600.97 12442.37 15697.97 42101.68 45361.11 48150.11 40691.55 54831.82 40911.61 36404.8 50568.76 58910.66 56587.74 37594.35 31888.66 46054.63 30487.28 24120.43 70311.99 75941.23 22649.8 14968.41 23555 25971.89 19446.47 23144.15 12421.12 29152.71 34391.67 29882.1 26465.99 48136.96 23124.49 30268.34 18317.48 13607.35 22219.28 10959.02 33822.17 17232.97 46232.06 119558.14 51480.97 41742.49 69081.38 74096.03 60647.52 30877.84 3284.95 80181.13 36959.2 41192.82 36940.77 45561.71 31930.08 31269.53 22127.07 25456.96 19226.39 24795.5 36384.32 32117.81 12324.22 45286.27 50128.16 28234.37 32255.46 35789.54 33179.02 35204.87 41441.58 52455.44 46680.33 54077.3 71900.18 47430.44 48270.67 46849.15 47880 50862.63 47347.64 44032.9 48422.41 47191.79 HoPhe-Gly-OH 35707.33 12803.07 3045.93 2559.42 15827.82 2952.28 4090.46 49112.41 51423.92 12722.14 14087 35239.16 4969.51 6435.25 42097.36 22314.19 1942.63 33527.4 37212.62 76822.41 25992.9 7510.01 11994.89 810.28 25292.15 19253.19 9515.69 11712.13 29440.21 11463.39 33297.87 26601.72 14218.74 9464.78 4332.4 24298.19 19605.27 3761.88 4259.45 1541.88 42731.8 31986.3 5827.55 7107.32 53763.03 16166.42 55579.73 19949.09 9311.55 28663.04 13114.63 19510.34 9029.93 4797.95 22607.04 9902.84 1764.58 3644.65 43252.19 1873.63 15604.64 16724.93 16232.34 8634.27 23894.55 21330.36 58692.71 11405.57 14048.2 41212.65 40390.89 50317.73 24624.01 1197.13 11128.5 22888.18 22884.81 22839.8 23567.76 22749.7 22895.13 22867.39 20042.93 22398.36 Asn-Ile-Arg-Asp 80635.87 28458.28 16867.1 8137.12 20941.8 94850.5 87165.36 17670.93 98617.64 12202.25 48052.83 18627.35 12034.92 28651.67 91679.29 62497.63 62748.37 43648.13 40201.71 161738.09 33880.86 69815.36 30735.52 18852.88 26871.36 42449.29 16891.07 26479.88 68455.87 47372.1 21346.27 59694.47 30859.78 51946.83 11511.11 37845.66 32966.44 5844.93 46600.23 9488.18 46026.86 52253.37 22048.82 22921.89 48182.6 34231.61 62720.31 2200.44 59484.53 99517.93 18260.99 12215.84 7402.87 12624.92 56594.37 21307.21 13574.99 9008.97 32372.39 9414.59 34891.75 14636.71 43269.41 70736.17 52488.37 37203.26 13128 26132.04 81477.15 88188.81 56089.63 46530.3 46254.48 38952.63 29993.91 50708.2 59854.29 52260.4 47904.14 51573.89 49176.36 52864.09 19736.84 46310.89 Leu-Met-OH 25231.03 34320.08 13005.88 14552.5 65721.45 94657.85 40076.18 62274.38 52199.22 45550.23 41796.77 76399.84 53604.09 36185.84 66559.22 79275.01 40837.95 83458.13 70464.8 66870.45 39056.78 45687.7 24863.92 18580.42 32685.07 46536.66 16296.68 15290.8 50389.78 41324.35 31240.9 75616.41 43539.85 24141.85 24836.38 32145.57 32533.32 7911.56 15600.48 10930.63 66331.6 75740.22 42220.53 22198.62 74340.28 51476.48 45562.01 34835.62 56999.69 83759.83 54141.18 33493.37 29700.34 35666.82 53674.14 53761.75 36844.51 19274.99 51475.79 84132.01 35850.03 30437.06 41492.08 45154.2 44929.55 60249.88 63921.45 44846.78 35063.77 47268.78 39761.74 52260.41 55655.9 47940.18 67588.79 4908.1 3915.18 4437.07 4570.61 4546.29 4522.4 5904.99 4224.38 4576.18 4318.96 4472.04 4624.72 4637.82 4564.85 4099.2 3745.93 5466.85 5221.59 5294.57 4728.8 4103.19 4273.81 4077.63 4465.03 4488.31 61292.19 60989.77 61748.92 61762.5 61728.49 62294.84 60816.66 59372.49 61417.64 Stearidonoyl glycine 4005.86 5568.84 645.39 2313.85 1967.28 7126.3 9699.44 602.63 5078.7 6415.83 4383.77 6230.52 5103.53 4587.73 7115.89 14795.61 5767.16 2828.71 9859.24 3822.92 715.81 2354.22 4128.07 1010.47 3926.16 2566.69 1979.68 2754.21 14211.29 396.96 2889.04 6763.82 3900 1361.62 817.9 471.07 3002.64 2573.21 2599.41 1369.78 786.12 6328.85 3608.96 3502.29 21243.87 3924.59 4801.16 5201.01 1493.82 6841.32 5124.88 8818.26 5362.38 2286.91 4331.77 4455.45 604.93 1963.78 4239.25 2884.85 4153.27 3655.22 6829.19 5878.58 4464.14 7316.81 3624.68 5064.78 3361.22 581.51 1485.27 12918.33 6861.69 4937.85 3885.1 5666.96 5802.75 5485.39 5848.08 5590.15 5786.06 6173.89 5801.51 5668.01 Ile-Asp-Phe-Arg 19051.98 15705.07 14854.66 10445.71 33466.2 56926.31 13353.47 13344.61 1184.08 14112.03 703.42 13811.4 28151.38 17959.62 43974.19 6111.79 12082.74 37808.26 1960.79 17580.69 4556.52 17398.26 1664.76 2743.97 9972.82 9854.33 4598.63 1167.9 19706.72 5927.15 5932.66 10163.45 708.22 5671.1 4433.37 7137.69 13877.38 5973.99 1181.9 4101.51 6171.97 14017.02 5424.51 2656.58 17374.22 6744.6 10747.17 4657.15 385.66 21706.54 10923.82 30166.73 13935.87 12844.58 25958.7 34566.3 18477.51 16390.82 12390.31 7017.83 11239.21 17167.96 42418.38 10531.52 8006.65 17001.79 1530.59 1418.44 744.42 8678.97 9151.06 14589.18 10672 23891.25 21808.19 2626.55 2610.2 2434.25 2410.44 2704.53 1846.61 2101.38 5067.27 1397.6 2024.78 1568.91 1799.43 3056.96 3223.32 1314.43 1326.86 2126.03 2458.59 2173.18 2360.62 1616.73 2189.21 2432.23 2743.76 776.29 18149.48 18403.09 18397.53 18311.84 18187.62 18629.31 18206.49 17106.72 18158.04 Ile-Abu-OH 11345.16 9685.27 4337.33 12864.2 29248.64 25558.9 26119.2 26759.82 21214.96 14153.58 28608.75 56377.01 40834.93 21017.8 11847.11 37259.99 12128.63 30641.16 35753.26 62839.73 5213.09 8130.76 9017.25 4524.76 7262.17 7082.56 5961.65 4013.01 27336.64 18147.69 20814.41 20102.3 5039.3 10794.96 10176.74 19477.16 9772.99 2734.68 11578.03 6027.51 50324.68 26674.39 13324.72 31325.88 38673.9 23040.89 30347.33 22529.82 15473.95 34118.11 12285.82 12417.53 14025.28 14098.91 12229.77 13231.87 4174.16 5780.46 13282.22 6596.59 17047.53 14730.22 11115.13 12664.44 17394.63 16408.76 23921.46 21567.6 26686.73 19895.91 15923.92 16054.22 16491.54 22308.23 26678.42 6774.0 3016.55 6391.1 4673.77 6726.32 6906.67 6499.29 6740.89 6793.99 6077.24 4738.76 6356.52 10388.61 9835.24 5198.2 7057.15 6096.06 5877.3 4616.67 5261.56 3437.4 6000.64 5980.93 4351.44 6122.88 23862.61 24296.26 24832.53 24598.05 25081.65 26412.78 24443.77 24208.01 26686.72 Phe4Cl-Tyr-OH 46812.74 195910.21 20138.06 1990.53 1305.1 2856.29 17440.82 31254.04 1874.67 104121.47 22575.24 1740.27 35890.85 27348.65 91673.31 353.47 16744.79 42044.88 48076.2 421031.05 24120.48 152840.82 25413.42 6878.38 7201.35 16121.22 4698.19 7757.35 34637.1 11241.31 46028.01 18676.81 262090.29 16533.47 13548.57 11184.82 29074.15 45153.07 8119.93 4181.36 50300.39 36728.03 30200.47 318.87 41324.67 18519.57 67149.01 30151.16 11649.67 52632.2 314.75 100187.05 6242.19 11044.45 36308.39 96136.08 18160.22 32378.13 58890.67 187983.45 16893.89 19094.33 4807.89 42951.46 54179.51 1139.45 45401.28 22867.34 26512.65 61664.76 606958.55 30626 63057.49 78446.13 18794.9 63359.25 68090.79 62597.56 63008.93 61423.03 63785.58 62599.14 63056.45 63789.51 Phe4Cl-Ile-OH 103199.55 47300.54 6218.46 5249.77 103342.02 45593.85 34430.65 192098.03 162158.57 57061.93 12343.49 67092.54 12177.01 41095.84 118475.62 75312.75 43549.16 136584.53 85261.04 293362.56 81791.54 15990.88 18627.3 11286.49 72057.01 44837.82 16686.7 38637.84 101268.66 57993.95 127589.32 62689.18 49175.66 6510.97 4687.33 63314.34 78833.26 4522.13 29030.23 22677.38 124783.93 129782.58 15786.18 37757.31 115169.59 43011.6 182197.97 58705.32 67165.52 123932.28 67386.52 45258.01 11582.41 33116.51 70837.04 72507.28 13189.84 18659.86 113528.56 10253.81 6089.98 2960.23 42382.06 18736.97 63173.5 89388.76 138878.7 60239.27 76948.57 126134.19 140662.78 59987.69 75428.66 5818.75 40521.4 87920.86 87923.92 87908.93 86336.61 88877.83 89621.69 88056.2 89195.77 89190.54 PtdIns-(4,5)-P2(1,2-dioctanoyl) 3751.15 3687.95 1050.33 618.38 11845.68 1652.64 1690.99 9572.27 28375.24 1496.53 649.19 3483.9 1388.37 987.75 21969.3 5015.37 3610.19 20230.8 3999.5 56428.14 5515.84 1138.91 1715.24 582.61 8276.53 2478.39 2959.22 1649.86 8959.85 944.34 9595.61 2590.4 2854.4 1357.62 1016.31 4755.66 4266.92 614.61 1029.62 885.94 11655.37 1394.74 1687.24 730.96 4379.35 1171.69 12912.8 2846.32 1586.35 3437.15 2548.48 4804.01 1295.61 1276.09 4250.82 1417.36 360.74 481.08 6910.23 1542.74 796.71 862.18 2523.9 3613.83 3202.5 5193.2 14776.38 382.8 2155.68 19233.93 21014.79 2845.26 3694.8 2534.38 1559.77 4279.18 4317.36 3761.68 4515.15 4080.92 4557.54 4095.64 4014.22 3808.41 AL 8810 ethyl amide 7279.11 9333.58 1825.01 5782.6 14805.69 18813.42 5789.65 11634.87 9424.5 8938.44 3311.52 2949.33 11565.39 10605 14675.8 5276.3 5828.53 21005.63 26027.72 34663.91 8593.24 8793.58 2132.98 1601.97 5281.99 7224.86 1417.16 1027.98 13153.9 2669.37 7577.36 4823.67 6569.24 3005.8 1538.98 7467.59 8203.11 1931.32 2035.54 1289.52 14483.87 13129.65 2012.83 2835.28 14879.21 8196.08 13893.71 9542.77 2170.27 19332.83 6423.73 9841.79 4885.75 5231.32 6130.48 10707.69 2128.26 1763.73 12381.5 15686.8 3230.07 1325.56 9314.56 13813.82 6865.44 11414.07 13304.67 5049 3409.04 11135.77 11190.19 8356.47 3757.47 13462.68 6641.56 10618.96 10563.83 10212.94 10327.38 8903.29 10636.9 10496.21 10683.84 11550.19 Asn-Thr-Asp-Arg 12534.29 4208.44 2204.47 3027.97 71096.96 11823.76 5675.06 71911.87 26979.22 5030.73 5519.72 57430.58 18507.34 12900.07 10046.03 13303.71 4090.13 22861.05 25225.74 45592.3 29256.62 1560.54 3473.58 560.13 5605.75 1357.08 7528.88 1365.7 4863.77 902.47 1554.62 20417.7 1771.66 5477.04 1754.02 10642.42 16997.28 893.24 2162.84 3378.58 10351.88 20226.5 2417.08 3018.83 51570.14 7675.16 13386.25 2489.35 7358.67 50398.29 59286.12 33606.15 10224.36 9853.1 31247.2 5004.92 6398.02 1638.58 22783.79 4049.64 8153.72 68257.89 4608.83 2803.73 6972.02 15864.93 10803.24 4960.44 3302.62 48766.63 13663.47 3565.51 3851.68 8099.24 8321.42 19248.09 20065.38 17654.63 19125.3 20000.58 19992.54 19964.19 19200.78 19288.6 His-Tyr-Gln-Asp 1619.01 708.19 348.54 3356.98 1718.84 8260.21 6382.88 2202.74 2468.18 3188.38 1976.28 5020.73 9367.3 5936.13 4472.4 2545.54 7599.96 4339.79 12128.4 6175.25 839.01 1321.02 1355.6 378.99 1051.69 632.27 772.52 1170.37 293.63 969.49 941.61 1177.97 797.12 1302.58 632.47 1200.44 996.26 645.78 933.74 1137.54 2103.39 2044.71 519.91 277.51 559.38 4585.54 715.8 1463.74 1436.82 5075.9 5237.4 1003.55 2422.55 628.38 595.52 500.29 293.06 596.53 1644.16 1650.18 629.46 322.43 1850.58 673.45 2111.91 2709.09 8184.64 2126.91 867.86 2011.97 1422.26 1896.7 975.9 2100.16 1747.62 2940.32 4555.3 6284.61 3921.95 2306.36 3283.51 1881.69 2108.86 2308.01 1658.93 1517.74 1612.63 1780.2 1426.8 1319.28 2536.53 3816.57 1613.57 5486.81 5573.23 4116.59 4118.08 1462.57 2596.77 2885.12 2716.58 3110.5 2392.72 3095.81 3040.7 3593.69 2640.73 3222.24 Isorebaudioside A 5256.92 2613.8 1661.73 393.91 9762 5521.01 318.5 11405.71 13303.45 6323.54 5760.2 4941.54 1946.86 1720.38 15932.8 10524.85 1948.51 37374.83 14418.3 25699.54 7973.7 2739.43 2501.39 1619.44 5342.37 5328.05 924.2 525.39 8961.19 2761.55 3151.9 14941.15 7730.86 1188.48 1551.36 3257.42 9221.73 1029.69 1052.42 492.82 1535.58 7888.52 2020.05 1488.89 13711.37 2659.83 9428.69 5411.89 3962.44 5899 2885.5 6258.35 1877.92 2059.43 5851.47 6727.47 988.05 1477.04 19644.67 3336.65 1381.09 1954.91 9183.97 4253.33 4055.22 11558.87 10728.05 2933.15 2046.76 9926.8 8301.94 8499.98 2777.74 2187.04 1404.05 7622.81 7659.29 7737.31 7923.2 7982.58 8083.25 7567.39 7561.36 7596.29 Ser-Leu-Lys-Glu 1459.77 678.57 525.59 712.99 1307.43 1676.73 1187.42 1286.01 751.36 2503.22 393.06 2763.65 386.44 2142.68 1391.36 1706.61 804.88 7659.95 5294.23 1054.16 1600.12 366.3 912 731.5 286.66 446.84 715.07 954.2 1952.68 3491.7 1862.5 7159.8 2489.88 502.06 619.44 2199.58 2460.95 508.24 825.28 483.13 1626.2 2859.38 930.7 1071.31 2149.39 1047.64 2389.26 1233.94 349.76 2852.34 1081 1223.38 668.07 652.95 795.87 554.72 564.31 269.16 1726.83 1330.17 1249.16 1394.94 1005.43 596.7 2566.08 652.65 1545.73 460.72 383.26 743.72 225.68 3289.64 1147.43 966.43 763.77 2274.82 2441.82 2257.36 2980.55 2615.49 2642.13 2379.03 2396.96 1741.05 Arg-Leu-Asn-Arg 10716.12 5602.65 1397.46 890.7 3034.33 1375.63 4372.57 5041.28 5462.76 4777.75 9771.81 8418.49 15173.59 1593.5 7223.03 5765.65 1696.59 2179.74 12841.75 3741.75 6027.81 2420.45 1698.66 6028.5 4276.99 4365.64 3433.87 4562.25 766.32 2118.79 6786.07 4738.19 2313.4 2620.25 2573.15 4477.65 8527.6 485.98 5421.27 4641.72 9532.4 8973.38 1703.71 5138.27 5356.08 2446.53 3025.97 2925.13 3397.79 6178.02 13347.41 15395.46 4467.1 10157.7 12108.17 4546.46 2667.86 627.47 13457.74 2074.67 5471.86 5911.48 8237.58 4537.94 3207.98 11398.03 2731.6 2502.24 4846.71 3426.93 7870.6 9325.85 11427.85 4198.43 11664.53 6275.47 6141.45 6036.08 6283.87 8094.39 6109.67 5281.22 6132.85 2875.65 JWH 250 N-(5-carboxyxypentyl) metabolite 16515.46 13636.88 12349.03 21052.21 62546.01 24112.37 29065.35 35420.5 30035.1 20032.09 28833.98 62141.24 33146.98 24573.95 26025.89 40453.77 20702.44 19497.43 40644.02 37482.76 8564.7 9545.48 15049.57 12053.82 10899.22 12187.05 10482.49 13962.72 14446.65 14410.29 3060.63 38620.3 12166.5 13043.64 11759.6 5547.51 15821.95 3460.87 16842.49 9586.61 13845.02 19678.55 21879.46 19959.23 30644.03 31309.48 29196.88 29808.75 12686.88 40180.4 40512.94 20753.21 21243.93 21906.42 13880.98 18185.74 11533.07 13156.86 33064.08 15635.8 20328.82 21191.47 20058.77 28483.23 26258 32902.25 29874.54 23897.96 26538.8 34577.19 25357.47 25575.85 27269.49 35390.97 34260.24 32015.54 32739.36 33027.91 32740.42 35296.51 32899.12 32737.91 32733.09 34116.73 Ser-Ala-Gln-Asp 10749.61 2810.22 1504.92 3411.92 1863.29 5989.73 6469.14 26197.6 23342.07 3081.3 751.97 26514.65 1129.59 7810.85 22450.03 1438.65 230.68 13391.03 5587.41 19286.46 12977.45 2657.14 4903.6 2678.6 16477.02 6104.34 2283.01 3098.68 33334.8 1432.48 30676.94 2202.44 421.47 4100.94 2288.1 13462.86 33949.41 1573.64 1750.01 6376.76 8923.5 42402.43 3266.35 807.4 8839.96 8757.67 1077.12 9924.78 4784.85 2831.58 2979.21 13080.99 3524.36 6230.79 25183.41 1152.66 1635.55 1477.29 27825.89 6360.76 3269.94 4184.44 2564.71 3175.83 2675.19 18574.94 20415.21 5877.9 367.85 44049.51 15565.86 1500.31 438.06 4344.45 6292.27 12898.66 12921.86 12716.63 12908.91 12908.83 12681 13065.49 12672.98 12883.28 Acetoxy-6-gingerol 476.49 69.39 135.12 8156.74 2304.07 2978.39 7700.96 275.69 290.38 112.28 300.01 549.03 5211.52 624.19 227.78 1279.19 170.95 387.24 133.94 256.3 299.16 137.96 73.39 212.35 246.81 158.34 185.85 220.57 382.39 225.51 102.99 3382.84 102.99 1475.12 85.27 253.76 69 377.08 614.24 197.55 5878.89 489.83 263.03 161.17 105.07 4582.73 131.99 311.85 196.06 208.4 613.27 159.89 349.55 674.04 2179.97 86.91 476.87 188.89 151.24 1592.67 184.59 1157.97 289.64 377.41 82.59 1002.86 357.42 91.9 67.97 252.67 220.77 213.78 216.55 235.14 1312.57 2237.66 2213.98 2289.51 2213.31 2236.79 2227.7 2210.59 2203.13 2246.46 Ile-Ala-Gln-Asp 9132.7 5675.51 3033.46 6514.36 7945.85 10744.47 12095.88 17495.76 9134.15 6682.84 6299.39 11389.42 13938.9 11821.96 11568.19 12928.04 98164.77 22398.74 22644.83 27597.27 5180.31 6171.37 6738.86 7199.47 6016.71 5401.94 4190.7 6471.9 18738.69 8817.22 13727.78 19153.73 15654.58 11643.16 5174.26 9049 10212.39 1609.57 4139.52 5827.18 20318.03 9639.23 8513.17 5673.6 26560.08 27312.26 18743.86 15386.18 20923.43 13293.74 8542.25 10992.86 5268.77 6085.22 11038.46 7947.05 12609.05 3943.02 13924.19 9054.04 3970.96 5327.72 6414.6 8266.72 9263.82 11811.51 12752.47 14474.62 8910.59 16235.16 13871.2 16690.4 7569.29 6949.44 12637.65 16779.71 16222.39 15457.01 15962.41 15837.36 15905.97 16339.89 16500.5 15847.18 6k-PGF1d4 5928.86 7650.9 6640.52 18041.92 5765.11 5255.17 2771.44 7677.5 12267.04 3688.82 18280.64 29069.77 24556.89 17957.37 9465.91 21419.98 14541.44 8042.76 26076.11 14015.59 6292.26 1552.17 12334.46 9575.8 4081.64 1468.84 8853.78 8000.31 9777.99 12398.05 1836.19 18267.97 4662.45 8393.37 8668.49 6113.21 6994.56 1694.32 10876.8 5088.66 6663.47 7254.92 14402.97 15363.89 14892.27 22160.92 9606.88 11342.92 11754.19 28083.35 3682.32 11242.77 14817.73 17664.65 7446.05 3730.31 4829.96 11824.9 9201.82 7948.71 12049.93 10750.71 7199.72 12358.06 17939.78 5277.64 8833.48 20040.25 9473.56 6539.07 10887.87 7341.69 18705.98 19246.23 18527.92 12853.54 12528.93 9708.43 12944.65 12630.18 12562.53 12940.78 12949.06 12974.38 Arg-Gly-Glu-Val-Leu 55365.53 43181.15 20422.19 41648.5 20450.31 37650.66 3375.1 27719.1 21761.3 20772.38 12239.8 56288.57 21880.19 28049.2 29755.57 32299.45 20565.23 22913.85 33096.93 100705.99 26211.36 21007.94 23136.24 8892.6 21550.87 34864.96 6444.08 9257.46 17880.54 34379.19 27002.32 31589.83 33829.13 23167.91 20941.3 16233.92 32096.69 11782.07 22368.39 15617.01 38730.42 17813.85 19045.59 29765.4 56465.29 42220 62510.87 21812.82 28039.14 39339.55 20677.21 27739.76 20023.61 20690.2 40139.44 24697.93 13535.77 31941.81 33114.1 33901.29 14742.92 22352.3 21340.25 31048.39 34104.7 39303.73 78670.18 22685.71 34024.97 40874.36 28058.31 78840.72 28665.37 81980.15 32683.55 31474.1 30218.67 29703.54 31339.65 28575.51 29260.3 35853.5 30408.81 32081.6 Ser-HoPhe-OH 2105.75 7390.92 7817.07 4822.13 113307.16 9551.09 11200.82 90431.62 4988.13 7609.41 7796.65 44612.29 5207.56 30356.24 2563.1 8349.59 4783.1 15691.98 11292.13 8175.37 8984.38 9381.47 10328.49 8919.97 10365.44 9023.55 10974.55 19350.6 34899.53 6786.54 10043.64 11633.49 3344.09 3379.15 3796.42 6271.73 7982.01 8965.76 10966.01 2938.67 90105 86366.47 9710.71 3074.79 6049.37 3606.35 6745.45 4399.26 32417.33 49131.26 64792.68 12222.64 11144.94 3607.48 50870.07 9436.75 2136.4 3682.81 5840.7 11521.51 7053.8 9550.7 6471.03 9446.49 6663.52 6599.87 7631.51 1842.2 7028 57626.87 2056.16 10862.41 8090.28 19250.93 7309.76 9120.89 12654.04 10426.67 6389.37 10359.41 9521.46 10361.18 10432.08 10345.14 Val-Ile-Leu-Asp 8734.82 20499.56 8117.48 11159.48 34763.87 16279.7 14296.25 17450.2 23840.12 38991.74 11782.17 12516.6 980.31 32421.46 50981.74 13074.15 60295.02 22339.67 118678.07 44948.79 8403.94 2538.12 1799.72 2476.59 2008.68 1080.86 1037.69 1011.91 1911.97 2395.94 12824.32 4739.49 1806.03 3566.76 4815.48 2591.78 2926.89 4154.78 853.2 3314.92 13460.81 10870.31 7059.08 5758.97 64949.9 14460.87 26098.46 20353.56 10752.33 18991.1 16549.99 6717.41 10180.56 10177.74 7296.55 10812.36 5728 7843.69 4855.67 13079.32 6779.22 6043.58 32027.91 13639.92 11812.17 14286.03 20859.45 16861.6 7961.72 23389.23 17441.63 22346.96 8187.02 22796.89 15869.05 4440.59 11689.38 4777.79 4220.83 4177.96 4564.79 4271.71 4171.15 4983.31 4758.99 5877.77 5513.77 4111.25 4492.89 4855.82 5619.21 4459.59 4378.72 4250.67 4280.22 5588.58 4036.42 4554.78 5569.11 4467.13 20361.73 24177.99 18580.47 20410.78 20097.09 20309.96 20486.07 19124.44 17863.33 Luminespib 10594.3 10802.13 10085.08 1644.18 4951.68 10021.39 2712.89 11903.14 11156.02 30654.08 5515.02 18055.92 3655.01 10022.27 14146.01 4712.3 1857.54 24159.7 12315.23 14818 10408.73 16212.39 10356.52 5177.42 8350.43 9363.26 1057.78 3565.64 10807.43 7055.66 7274.36 15834.4 10524.09 20450.39 4387.27 9351.28 8025.48 2215.93 5657.45 1785.03 9224.34 16010.46 7063.75 9592.62 20139.06 2765.45 15779.84 3281.08 14684.01 8489.6 11508.79 49351.18 10736.18 1729.94 13039.61 11187.03 1694.9 9586.87 16188.59 617.3 10168.84 27216.12 8747.42 9568.67 6305.67 10978.29 16250.19 7872.96 4629.8 15102.25 5788.77 33230.2 5423.24 6756.98 3007.5 15405.15 16313.93 15862.86 15899.35 15436.22 15881.98 15852.7 15884.76 13810.47 Leu-Ser-Ala-Asp 5458.14 7457.9 652.47 7432.71 10873.46 5304.21 1495.35 5690.56 3446.59 1133.53 1638.49 9404.3 24921.18 16998.5 25086.69 2950.52 4881.89 32247.72 29978.77 42589.32 1597.94 438.19 2126.82 1691.1 454.94 623.71 1235.98 1468.12 6716.17 2130.43 5913.79 14906.19 2011.69 611.37 493.98 1280.54 423.29 542.12 1041.24 452.39 25441.67 11171.55 1583.02 2514.49 23945.85 5836.16 8859.35 2167.75 912.22 29329.76 1174.02 2901.01 1127.71 3601.69 6834.33 7026.97 733 1496.89 1840.91 1605.98 747.27 1622.57 2734.85 1072.12 1605.71 7028.24 23144.84 1355.29 3955.72 1870.18 807.74 1418.92 565.75 4589.29 1338.93 4433.13 4832.18 3678.11 4671.81 4854.49 4579.01 5162.18 4533.56 4834.5 Val-His-Ile-Glu 11025 15942.53 20870.73 16904.19 8744.37 9779.07 20074.83 11407.08 12839.02 18571.2 20230.55 20962.74 22633.45 20464.9 12203.05 14204.89 19179.78 9189.41 18996.57 1803.55 13801.48 11664.94 28046.87 22955.79 15166.17 12861.91 17963.2 20850.51 14849.94 12800.03 13163.7 17140.95 14753.27 24972.69 23501.67 15260.92 16959.67 7193.9 28457.87 18898.07 18157.89 15274.69 29728.67 24965.67 10242.33 13181.63 7285.45 23929.76 14732.73 14367.26 15256.04 14906.06 30137.83 26442.57 11587.8 18234.19 17213.74 17796.61 12649.15 13401.81 23710.78 23261.54 18008.88 21931.48 20843.92 14341.75 5989.2 18827.55 19267.06 12630.68 12940.37 23503.91 25434.65 23800.17 24267.64 1904.17 514.71 1773.13 3250.1 1969.68 531.06 1232.29 566.74 1845.61 2568.13 1133.76 1303.07 588.75 3534.25 1820.76 1510.58 1508.35 1824.33 1672.97 1388.75 17044.35 17422.86 17512.25 17516.6 17045.7 17550.66 16887.34 18112.52 17516.57 Val-Phe-Asp-Arg 16814.55 11059.66 2692.92 7061.27 24721.94 26099.56 26429.01 34676.08 45299.9 24302.01 26628.79 36354.89 29387.95 12736.91 21178.42 28168.01 11384.85 22925.86 19043.47 31097.35 18025.68 2969.9 9051.01 8929.66 14849.63 9993.1 4496.65 12240.01 16004.9 19153.11 19531.34 7081.28 8730.52 5190.53 5348.36 18002.48 15068.36 3916.87 11483.85 6041.61 43569.7 24718.8 12840.61 17813.27 30878.04 15923.1 27852 10498.63 15973.45 15740.86 16088.46 14175.48 5881.68 12808.13 17839.6 8158.9 1204.64 4127.88 23034.57 1173.44 10234.47 14636.39 15768.88 14241.99 10026.97 36560.12 30547.12 13125.49 17041.9 26707.38 28844.61 19614.79 15769.77 15252.23 17462.16 20204.79 21035.73 21491.83 19948.44 20182.05 20058.72 21123.23 20478.88 24937.93 15(S)-15-methyl PGF2 ethyl amide 12918.51 11174.11 20261.78 14756.87 13567.21 3044.76 13406.49 17083.42 16170.85 13026.66 14138.62 14228.49 12841.55 10557.23 25382.4 19897.52 27681.83 25936.44 23332.4 13784.91 16576.96 11117.08 18144.71 16186.57 14601.56 10179.2 7091.43 10903.65 21507.16 14221.62 5659.82 14304.62 21210.87 18248.23 15976.85 17247.83 14724.57 1722.01 13393.15 9440.19 6932.14 10676.2 18520.06 9511.69 12776.35 12958.87 18024.72 18969.53 19547.29 14901.01 11774.89 20632.13 15153.93 18362.61 18182.11 14972.09 17672.16 14570.53 15680.55 944.64 17266.19 12255.45 20086.38 22197.77 18751.27 14148.03 21133.78 14044.89 8891.2 17194.64 9951.74 14144.66 18808.53 10718.34 17836.49 17731.12 17507.67 17545.35 17371.07 17601.63 17015.64 17374.21 17377.28 17648.08 Ile-Ser-Val-Asp 35049.71 22498.76 3774.66 14505.07 11593.57 19458.1 6572.03 14923.62 18674.71 8049.78 10284.88 16103.26 11183.59 22800.85 42653.87 14349.11 9676.46 22067.08 21815.14 23163.55 10349.75 5539.65 4375.96 3743.56 15258.97 7851.93 2106.06 4973.28 14581.39 10370.8 7641.02 20012.77 6599.6 4100.91 3989.2 7194.64 7148.74 2539.82 3908.35 4704.08 25769.47 16656.12 5128.62 7957.24 24669.06 15066.95 9410.24 9644.22 13753.39 28352.76 17906.48 23356.04 7561.77 11360.43 14820.43 24792.55 2022.94 3025.81 8670.78 5430.72 3213.98 3610.09 12412.24 6652.06 10042.72 19591.22 30618.37 6551.2 10661.33 13411.88 13601 12929.88 7390.44 11131.24 9235.89 14553.63 23499.73 21374.36 23114.56 21551.25 23125.57 23228.75 22651.42 23440.05 Thr-Ile-Lys-Glu 7391.52 9128.5 14291.43 6153.81 7099.43 5447.72 2467.98 8738.66 12027.19 18366.68 16466.01 2436.57 8518.68 5877.7 30483.02 9623.18 12884.42 15185.52 14126.72 9025.55 14406.54 5842.87 15212.2 7270.44 7399.9 1854.99 11408.27 15864.17 12448.72 5321.15 6580.32 9650.7 8800.62 19104.87 16804.1 8754.34 14839.84 4666.99 13001.34 12241 23120.52 14545.01 13937.73 13707.09 3636.96 3520.92 2794.79 12374.93 15706.69 7810.42 7645.59 10144.8 11783.2 8266.89 4909.64 17766.44 4886.58 31873.22 10416.78 6232.26 14550.96 11005.32 11681.18 10672.39 29038.7 7026.48 7220.1 14518.16 6611.13 11900.12 19077.59 17200.53 14138.51 20969.31 10732.62 8352.67 9033.07 9752.83 6339.23 11303.31 8146.11 8145.71 7898.55 9347.25 AGC 26117.84 13209.92 5242.45 47525.12 62075.15 21695.98 26329.3 12787.18 20638.18 43670.63 7600.51 9462.22 12204.26 39184.42 16966.3 21603.9 28841.32 24102.92 47288.67 6499.68 9894.88 1733.13 2168.42 3781.55 9179.66 4032.62 2410.57 2986.54 13776.81 11276.17 6936.43 10960.49 2258.55 4078.37 6176.67 4280.78 3020.46 437.84 1389.55 1988.75 16456.48 11807.14 4451.17 11292.08 47361.75 10462.22 21195.21 4706.18 2223.33 12594.34 19057.84 16372.91 6769.41 12384.36 5115.7 15089.81 7196.37 17031.58 10612.82 8722.24 8115.18 5195.53 37857.68 15423.92 12995.45 17608.16 5489.1 7407.7 10134.22 10933.4 15831.26 29175.07 7356.38 17130.89 9186.35 14002.66 14647.15 14205.43 15703.51 14000.71 14869.6 15043.01 13970.98 15043.09 Asp-His-Phe-Asp 13999.83 17650.47 11212.83 18797.13 21471.04 14188.68 11624.23 17229.98 16927.73 11992.6 12520.89 22592.96 25498.32 18282.59 24989.91 27509.64 20413.72 34748.26 32540.14 38160.51 12786.8 7908.12 5929.44 15046.14 12939.19 8667.91 6923.31 6377.79 17647.02 14812.31 20139.41 23367.55 6162.01 7292.01 10322.76 12381.02 8470.08 4004.6 6265.91 8415.01 31721.22 21030.82 14057.2 15628.35 30910.84 18217.64 33111.29 18123.17 10662.01 44884.8 10304.28 13073.96 13906.76 16505.04 22242.59 21946.79 10560.89 15693.7 16485.79 14787.1 14699.23 8015.06 18492.66 14891.42 19564.49 23260.12 28663.15 12999.28 22187.28 21479.77 14259.86 17422.72 13440.48 27848.09 17883.24 19769.19 20121.04 19756.04 18677.34 20582.26 20098.51 20079.23 20141.95 19819.99 Gal1-3[Fuc1-4]GlcNAc1-3Gal1-4GlcNAcSp 8201.36 10846.53 3890.89 5174.45 21446.02 22076.52 21527.62 9126.5 19779.39 15374.86 20365.82 18761.05 21224.25 17565.95 12815.93 52520.52 32231.01 15821.66 43264.3 26249.43 12849.06 4952.97 6187.26 6231.27 7532.28 8764.39 9035.85 7988.92 13975.62 10430.71 6674.03 16259.3 5041.28 6601.96 5126.67 6627.16 10494.76 1139.57 8338.92 6002.64 15315.97 15126.71 12698.13 11780.13 15661.75 12410.63 17306.39 17979.91 9693.15 40873.27 7174.36 6732.12 14308.15 17945.16 10606.27 10323.36 3491.95 4288.62 10218.61 3897.97 8460.61 9064.59 10065.14 20181.16 22798.58 20407.82 19598.78 17365.72 18404.44 16624.22 16069.6 27032.63 20090.8 24804.47 24587.82 17934.29 21487.18 21746.36 21140.99 20976.46 23894.89 21098.61 20958.17 21701.68 Leu-Phe-Ala-Glu 647.72 361.68 3217.94 3671.92 3648.39 1379.9 1439.56 3631.89 3758.3 5044.5 1355.16 1577.25 3808.25 9361.41 7894.22 3000.75 3736.03 6621 10316.77 508.08 1648.3 3031.66 6058.83 3734.73 3998.75 2431.52 2850.57 3053 2846.15 751.04 1120.23 5628.21 10276.24 2977.2 1365.23 9606.55 9877.4 479.92 1858.86 543.32 2846.99 3300.77 8875.14 4396.32 1979.14 432.55 1605.92 8789.55 5487.03 3242.22 4336.94 9018.35 4748.24 972.12 1080.2 14185.79 883.91 4066.86 8641.02 3708.02 4476.13 2682.77 3632.07 6177.33 8355.31 2021.98 3211.12 1002.17 1602.86 4800.34 806.45 6180 9266.46 3958.88 3497.34 4838.76 4937.06 5394.38 5423 5396.28 5168.78 5245.17 5506.26 5583.12 PtdIns-(5)-P1(1,2-dipalmitoyl) 2998.12 654.84 387.46 574.3 4789.42 3657.38 1168.22 4845.3 2688.33 3618.3 897.16 2739.67 2197.54 317.72 2909.57 2540.82 1070.36 5048.09 3780.15 6613.93 2107.41 668.03 648.56 189.39 685.53 371.34 486.49 321.25 2862.7 480.46 966.6 325.83 582.46 510.86 228.52 1175.53 1502.84 459.67 208.29 204.65 4306.54 4854.31 329.48 662 9221.32 751.13 1463.7 1409.79 318.19 2216.69 4764.78 1953.94 826.21 716.87 4680.66 1062.95 224.26 538.19 3977.94 275.83 182.75 780.58 2886.67 1031.38 628.81 6276.57 2059.77 980.47 855.35 3885.9 3081.16 788.24 288.84 410.72 1128.07 3627.69 3341.02 3597.53 3429.21 2373.59 3429.47 3394.18 3437.6 3929.83 Leu-Asp-Glu-Lys 9154.95 9617.75 5294.33 701.99 717.45 12754.5 1156.06 1834.35 5625.69 24145.72 12896.36 29100.22 12158.27 10594.15 16187.02 13536.49 4074.5 18427.5 33715.86 24040.62 7458.58 13545.52 10698.51 6553 10309.83 9788.88 1079.78 5126.17 16224.21 11219.01 12361.37 5550.27 10723.54 9124.46 4321 1267.4 9452.79 3909.34 9890.59 2165.53 7244.6 1731.81 17022.33 5439.81 24646.54 10131.06 14644.26 13613.8 21787.36 13569.17 7539.39 11603.51 15134.12 1237.4 7329.52 14844.75 1396.4 7406.63 19602.09 1232.11 11180.64 8986.98 16738.71 14753.25 15054.76 6408.28 20666.5 14250.2 11825.11 2963.75 5155.88 23393.07 16378.32 8888.62 1546.4 13594.66 15318.84 13578.6 14083.49 13755.78 13636.72 14179.91 14142.6 13978.86 Phe-Thr-Lys-Lys 11235.83 4416.94 4559.35 17270.11 4998.46 25788.54 838.06 1560.76 3045.01 5917.11 3638.13 4397.48 2542.95 9352.52 2713.23 10299.81 3244.72 1849.78 27305.98 2538.15 351.53 971.78 1228.17 2276.92 1159.56 1689.06 921.77 941.8 1177.59 792.73 713.75 4360.99 886.75 575.81 1448.62 953.65 1564.58 1336.76 2232.67 1382.91 689 1745.07 544.94 1789.06 1750.51 1820.71 3127.6 1087.12 698.16 915.89 2058.53 1046.8 1607.75 3839.86 1575.46 1120.36 603.33 5864.26 345.37 3461.48 1880.55 924.86 5125.18 2034.97 1644.59 1253.45 8755.69 1137.2 2328.14 1304.57 836.83 1989.81 541.27 10302.19 2976.94 3398.8 3260.71 2683.3 3292.56 3115.98 3395.57 3425.73 3254.95 3038.13 Thr-Asn-Ala-Asp 11739.8 950.4 255.84 18971.23 15453.68 28235.79 18444.73 20217.97 82297.64 1030.87 577.45 9024.83 1354.15 1159.64 26022.12 8173.15 1361.51 29671.48 2053.99 942.64 8523.39 2505.65 4052.46 1374.55 55036.11 7540.14 986.45 1884.74 3104.75 7373.83 14926.41 2918.16 199.06 4804.04 1504.03 8663.17 13562.34 1378.24 3859.87 5046.95 41169.41 34064.87 1193.06 1358.19 2459.61 6379.34 2070.68 443.3 7484.7 796.83 30220.08 1468.9 259.08 2939.22 32005.55 206.87 1060.06 1826.74 20114.04 11021.22 2828.24 3171.24 2860.16 2200.35 1092.58 33245.75 3926.05 3941.01 4677.39 37019.83 10829.63 6863.17 1295.98 2808.49 3179.99 11497.46 11491.38 11181.69 11754.58 11566.79 12083.37 11495.28 11463.67 11898.6 Gal(1-3)[Fuc(1-2)]Gal(1-4)GlcSp 6535.64 13530.17 4091.95 9858.94 4430.76 1768.75 9336.11 9798.13 8397.38 8733.46 13951.05 28547.77 21693.07 28930.28 11105.75 14606.8 6073.82 48257.84 13635.8 26137.57 6895.8 4269.79 3445.52 894.19 3734.58 1969.07 4235.03 6088.52 5766.92 13342.8 19314.47 40654.18 5174.22 1746.46 3163.64 15961.23 5215.13 336.36 5319.56 594.57 30117.09 13710.23 836.78 10746.35 31605.11 19007 16061.2 13531.47 12860.91 32388.58 11187.58 13295.11 12131.89 9620.25 12966.2 1774.72 1447.99 873.06 5218.72 4568.08 3954 4401.36 10335.08 1088.36 3923.18 17076.74 24029.23 17064.81 17880.59 7130.92 2956.97 4867.46 7566.24 464.92 5499.15 25393.3 36009.66 31066.51 28219.77 33160.22 25400.33 23493.95 27330.47 21749.7 25921.72 29009.76 21898.97 24708.34 26098.68 25023.26 28908.4 23232.3 24209.24 27405.62 21885.33 27800.8 25325.39 23707.1 30150.01 25716.39 15801.33 16173.06 16372.45 14298.54 15600.95 16073.4 14161.44 15440.98 15563.19 Arg-Asn-Phe-Arg 15235.67 1518.27 2361.49 1324.16 6930.65 6802.71 2138.28 3029.59 35224.46 33449.65 28346.98 38275.44 7592.86 22544.45 13196.51 2302.05 16080.34 18497.18 12249.89 5346.05 14023.05 609.7 7528.97 16162.58 11663.85 3146.59 8692.84 5600.97 1868.51 1905.1 3235.63 3994.62 2400.96 22055.84 5390.3 2411.45 10907.04 580.12 17288.25 2345.62 8602.79 15668.12 15899.77 33737.83 19343.8 15948.74 6156.31 1291.42 22512.31 16992.68 13298.03 30058.83 26386.4 17110.35 24405.84 11550.93 2383.8 13984.4 20674.65 2309.47 14842.82 21179.06 37276.72 18729.87 6873.05 28023.86 33132.36 20016.62 11820.52 5495.55 5854.28 26999.85 33957.77 10688.07 17067 15784.92 15955.27 14909.46 15339.71 15215.03 15794.15 11993.84 15689.49 15077.56 (5S,6R,7E,9E,11Z,14Z)-6-[(2S)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid 68319.34 57045.68 44728.12 58594.64 75853.36 137785.12 74305.75 87919.06 93650.34 85911.91 58708.96 79631.33 80920.04 51768.03 105817.28 89348.13 52364.08 85167.09 108507.94 152241.28 51989.86 65039.63 40577.32 29405.93 43457 53419.99 23486.16 27712.76 73532.68 26620.92 38026.84 53516.5 43293.1 32802.94 27202.39 38922.83 48154.06 18696.09 42645.76 17799.55 60238.43 82052.2 50403.32 49658.4 115622.7 60114.09 93694.76 58480.43 39708.99 87113.47 59713.41 74730.41 62000.91 41929.75 71063.09 63827.49 21034.62 24642.93 66532.73 82240.09 37517.13 48015.77 67276.47 61675.04 50225.69 96604.76 114459.16 55785.52 47897.51 74485.5 73710.86 94621.85 55103.56 74630.07 77130.53 81857.49 82172.22 81847.2 81838.21 81222.96 81228.77 81234.46 80221.03 80129.64 Val-Thr-Ile-Asp 3544.1 3195.78 2199.57 1061.66 741.74 1362.39 1390.54 10991.57 5439.27 934.86 3620.45 3988.19 2316.02 1755.46 7576.66 2323.45 959.49 2452.91 2736.66 16924.67 19007.63 1179.14 635.99 1685.01 18433.79 1344.42 1155.31 1351.85 3006.53 1596.39 1985.12 2470.44 13420.58 1109.24 1305.35 2448.51 3023.75 1050.29 3698.01 1418.44 4263.43 1624.41 1375.29 2104.1 2388.63 2883.2 14657.63 1150.47 361.56 2675.11 879.66 2381.09 980.17 626.91 4058.53 1432.43 3124.15 3052.93 9325.74 7656.35 1290.21 1285.12 10510.53 2323.27 426.58 5840.52 7873.29 1820.48 730.33 20048.64 20085.09 1129.44 787.01 1394.92 2303.24 2588.89 3284.48 3711.52 3032.93 1611.07 3064.28 2935.89 3098.58 2771.81 Thr-Glu-Leu-Lys 23842.43 32825.38 65334.8 28993.48 15489.79 761.59 9078.75 43982.1 39896.13 38452.17 40435.13 33547.96 23051.35 23345.06 45100.33 51648.91 77133.38 24896.57 66477.28 37391.27 76937.74 30166.08 76603.24 91265.58 77338.63 21603.9 36537.75 27182.32 100117.65 42036.68 18773.8 37871.3 83013.64 75254.35 37748.55 84598.21 41273.7 7166.91 37207.66 20576.2 16765.09 34047.88 71065.73 13792.66 30242.99 29351.14 49937.13 75916.3 73630.99 35974.58 31212.09 64264.02 69078.38 65762.06 64147.32 36051.45 71391.25 30372.71 49037.74 9875.12 42920.04 41245.43 43181.25 37238.51 67072.56 36238.12 8831.62 38046.16 25107.74 59162.44 37472.42 43622.45 71708.17 52345.84 45701.39 43899.84 42669.78 44647.92 43799.03 42576.94 43763.29 42591.46 41534.88 43003.19 GalNAc1-4GlcNAcSp 1892.15 5278.72 12429.24 6851.2 1737.15 3385.72 902.81 1248.04 720.9 3219.03 4086.08 2114.86 9198.7 5215.68 2728.01 3356.11 5014.3 2172.16 1674.01 2686.07 3546.6 3542.31 1234.74 4516.29 5109.47 3495.39 2178.28 2876.04 970.19 4045.8 3260.06 3177.74 738.51 4235.41 4944.78 3524.88 4159.57 4217.43 4071.65 4139.39 5591.82 1796.07 6990.83 4872.45 3551.12 1834.64 2353.51 938.26 3449.07 4814.19 2359.14 3764.16 2387.18 7303.92 4783.76 6428.87 10914.25 10404.2 1729.49 4515.46 5789.36 2688.37 4979.84 7300.37 4880.14 3372.31 1287.1 4821.79 1204.57 4067.66 3687.4 3655.34 656.47 16369.06 4203.8 23218.16 31447.98 32915.62 47884.09 36040.67 27417.45 22986.17 18299.17 28549.09 29034.22 17516.26 15612.35 13969.78 17179.59 16818.2 15492.47 30043.18 24867.98 13093.28 54187.26 37712.73 31940.18 28086.31 14915.59 20739.83 3849.72 3613.74 2639.31 3791.81 3853.48 3796.69 3468.47 4005.59 3962.5 Asn-Thr-Ile-Arg 6068.34 2374.81 1145.41 404.09 2734.86 3411.99 737.03 1855.6 2727.62 5748.72 454.5 5537.5 2866.49 594.41 2279.14 2154.07 1387.52 5374.67 12596.95 3720.22 5803.74 1984.75 2070.54 1975.1 4722.13 3425.57 1161.14 917.21 5453.03 3576.27 4910.61 4968.55 2146 1072.53 1038.24 5013.8 5019.11 2432.02 1777.98 787.52 1701.73 1991.95 1005.05 1147.93 4497.98 941.63 1727.5 4426.98 1073.42 1793.06 3981.53 496.93 2138.7 2012.51 8674.27 6964.01 1248.46 1292.46 12924.86 3634.34 1114.92 703.27 11292.63 665.96 3978.58 2239.9 4159.06 1112.87 838 7731.21 3301.63 3377.78 1650.04 1705.23 557.75 2886.9 2827.35 2775.79 2846.64 3428.38 2796.18 2735.4 3015.75 2020.63 Neu5Ac2-6LacDiNAcSp 1392.79 825 524.12 481.16 294.73 1610.79 213.15 2536.57 1256.22 875.54 625.39 737.45 417.85 1197.98 1651.04 1255.62 19191.78 3566.99 2635.03 6811.78 739.43 1148.98 335.99 572.2 787.26 1343.52 542.18 420.1 2116.59 208.32 1056.36 184.26 3324.83 712.03 416.92 354.71 377.31 244.38 817.08 388.28 2163.11 4455.58 852.95 558.2 646.36 488.5 5225.83 1576.94 1452.61 2650.77 228.59 1435.58 532.75 461.42 2647.9 1223.56 1405.73 395.97 2167.42 1390.37 823.67 691.38 664.56 304.51 1244.17 1949.71 1067.24 433.21 159.76 1780.38 2097.08 1019.8 1550.32 1072.45 760.66 3741.79 3327.59 3585.69 3616.77 3216.04 3087.67 2646.68 3628.42 3198.89 Ser-Abu-OH 91599.09 30955.54 1015.5 7510.99 12733.5 3693.04 6275.46 26236.94 107059.4 38382.27 7965.73 923 5504.23 10591.74 88020.96 46045.53 22464.84 41704.2 52382.95 143543 46115.66 419.88 6095.98 906.49 6317.08 33180.79 7869.73 11872.69 58097.94 17575.32 13496.13 27158.39 48458.71 5719.56 6598.77 6429.04 18607.24 5500.91 7976.29 6635.39 5002.63 59900.58 8795.12 10741.76 10665.49 6319.1 92915.35 40677.59 19683.12 48811.87 31017.63 13003.26 6150.68 9884.79 47807.54 21953.97 1511.5 908.82 60433.6 4838.37 2001.53 5065.41 26827.85 17372.82 54673.79 30333.62 37187.35 36110.46 32562.8 68745.32 124180.04 38849.6 47251.43 16914.67 14880.71 33290.25 34696.11 29435.04 26042.61 7647.8 29126.24 36072.34 26687.03 26431.32 23174.86 11354.88 23703.63 22772.42 23798.99 23719.21 26426.72 3109.45 28589.41 33892.66 30581.52 33716.83 38969.21 32432.71 41439.14 35574.84 35639.39 35770.42 35487.31 35770.08 35770.1 35490 35485.61 35494.32 His-Ser-Leu-Lys 7123.96 8838.39 6777.32 5844.78 7811.05 7274.41 3320.06 7094.79 7168.09 10014.98 7218.87 8420.74 9373.82 6655.95 5464.91 4012.07 7672.04 7148.56 7236.11 3050.18 8641.74 12889.37 10478.95 8391.3 10876.45 9569.53 6964.32 9822.37 9102.28 10769.1 8468.65 8201.6 8904.28 9082.37 8378.55 14182.46 9775.04 6089.71 9049.02 7952.2 9215.46 10948.75 10870.83 8424.38 6734.66 5398.74 6407.3 10982.95 6966.09 8089.06 11102.29 8015.15 11134.33 9093.12 10815.6 10416.7 3368.32 6886.43 8878.12 10659.74 7974.93 8278.57 7651.78 10234.77 8568.25 8665.56 5859.77 7749.3 13073.49 7856.21 6199.82 9438.85 6955.64 8403.45 7777 7769.51 7809 7696.74 8136.97 7784.57 7686.34 7680.37 7677.54 7811.46 N-Valylphenylalanine 44906 25098.73 20678.46 25394.48 177394.11 81023.59 42723.29 62495.87 67314.99 67191.45 52965.79 123078.48 87266.47 48880.95 55606.56 107648.34 43276.18 86795.1 103535.37 51440.77 91905.75 60221.04 34681.52 25292.27 24469.65 58264.68 28358.37 22562.39 61438.61 65239.2 33486.59 124561.52 41061.22 27709.34 25300.32 78526.83 52474.76 10442.44 29223.7 15734.71 48010.74 94444.54 39809.22 36442.24 90946.03 61679.82 48448.5 39344.38 94666.71 95724.87 83155.97 55891.01 53082.12 44677.15 105218.82 40541.67 17735.37 14617.36 177884.46 52867.09 47341.9 48855.21 78279.59 53191.57 34291.75 102768.25 57270.02 47802.09 34677.78 61033.22 35972.47 62710.46 84197.6 35093.38 47995.59 85260.86 79191.34 74469.79 72856.46 73703.12 75684.15 74613.66 71319.92 74664.11 Leu-Phe-Lys-Lys 104912.9 61018.19 20836.81 20560.83 12414.42 5566.93 11229.06 26423.89 24128.67 54727.17 79669.41 77306.94 36518.37 39324.37 61379.48 23778.94 29157.33 47319.93 64489.57 44176.79 43271.57 21534.35 38454.17 46329.64 28340.94 20458.94 51066.46 26743.32 27915.11 119618.71 10277.92 51080.89 23984.11 17769.4 40739.23 26610.08 44402.43 28859.63 52150.83 27407.18 23923.77 61180.88 36529.2 206708.88 45326.5 38555.1 37240.05 65754.41 36765.17 97366.98 52734.34 65885.45 42891.57 83240.51 65696.63 63925.99 17093.52 24457.35 69186.07 26077.74 58621.23 41961.76 42982.69 82373.22 61185.81 84108.44 67070.41 71620.43 116696.27 60366.67 34416.69 47577.03 78778.63 62095.94 77253.56 51722.44 49003.51 56756.93 49671.18 48105.67 47210.65 54808.76 38825.29 52531.14 Val-Gln-Ile-Asp 4874.45 6308.22 4279.6 6063.66 2618.11 8430.12 6068.02 9371.7 7229.98 11078.51 7410.79 21775.72 1298.21 6134.09 17182.57 2906.3 1381.15 30338.52 19081.95 20387.71 8748.28 9080.47 7402.73 3421.8 4829.08 8192.91 451.8 3545.09 17602.02 18118.64 2319.44 28981.05 10384.18 6047.92 3600.09 11585.65 13372.72 2167.68 5206.16 1871.21 6454.11 17803.45 5623.18 6096.63 22700.57 3991.36 13423.97 12542.72 4754.62 18035.78 9167.25 5818.74 7025.04 6251.9 9661.21 10999.86 1673.41 4740.29 21946.62 4399.03 5194.85 1942.67 7417.87 9139.76 8515.56 12874.6 2685.45 6897.06 7971.42 8070.52 8566.94 12276.1 7778.29 7312.66 1424.04 13098.71 13079.76 13293.13 13071.4 13305.12 13309.75 13292.81 12936.84 13181.25 5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid 10574.33 2709.21 1590.34 4223.85 800.82 6698.17 4100.76 4426.16 11808.61 3088.32 4796.24 5943.09 3569.42 3557.33 6626.98 8322.92 6957.07 7223.72 7136.14 8396.48 15871.65 1680.83 3128.82 2038.76 15796.49 11742.83 1856.46 416.55 16347.52 26057.58 20892.2 7113.02 8351.35 1231.75 1687.41 21609.57 16740.29 719.9 401.02 1196.1 11342.22 7949.45 3817.61 2932.58 7597.22 528.07 10506.42 2427.42 4455.45 6944.82 8018.63 2912.16 4392.41 4248.21 12045.72 5744.4 2850.7 1703.93 7391.61 1140.71 3234.02 2578.99 6729.49 3318.49 10245.76 7373.54 7220.13 2791.14 1390.09 9224.19 9134.6 3528.92 8999.14 5042.62 3390.42 7062.98 7390.68 7563.4 7744.72 7838.79 6799.14 7775.18 7598.64 8207.84 19-hydroxy-17-oxoandrost-5-en-3-yl sulfate 1112.06 43214.03 21425 40906.81 10127.3 210587.02 73455.74 7435.35 13301.68 115683.48 53720.69 20807.81 45866.7 22166.9 29651.55 7351.36 38755.93 16874.72 3202.02 1923.96 16387.74 51457.34 41933.8 1454.85 3462.67 19819.66 21283.07 2078.01 1148.78 1305 1819.94 23232.01 18914.15 41560.85 4497.6 1707.37 2031.75 33912.39 56392.54 2656.12 24633.29 6552.71 6574.28 4577.05 1295.15 28197.41 3913.96 7828.84 8638.31 45529.67 2309.79 18766.69 7536.69 25905.97 38449.16 79528.28 9652.15 25011.06 28467.5 82288.43 26561.93 19999.8 36336.27 10519.98 14921.82 1751.34 106407.63 6821.05 36324.08 5912.17 19349.92 149800.44 2949.48 60563.27 21143.02 24711.98 24741.76 25170.68 16744.92 25007.4 25877.95 26217.12 24536.45 24752.56 Tyr-TyrMe-OH 1403.96 5233.76 2452.75 10124.66 5072.79 11749.55 7574.13 2517.83 3916.65 2381.96 1914.62 2892.63 14492.26 7023.65 5146.54 3174.21 7935.56 6738.56 9092.92 5745 1447.21 1208.15 1322.52 1012.9 1561.53 698.34 657.9 1022.65 2125.72 797.73 3592.26 4547.48 1686.78 559.65 810.04 1090.21 1105.13 478.97 1297.43 627.02 658.71 2480.31 1625.95 918.74 3159 2664.63 1387.56 1455.86 1757.11 7692.14 703.49 5911.72 452.04 2554.44 1760.31 3191.19 4145.87 613.11 1727.35 4705.99 1786.66 3088.52 2781.07 1710.58 2952.7 5171.74 14089.45 2191.82 584.68 2517.39 2155.31 1986.19 1700.22 4385.11 2461.83 2888.74 2796.23 2785.62 2760.43 3089.55 2825.8 2767.04 2495.59 2876.78 Lys-Ala-Asn-Lys 2497.86 4786.55 2044.52 3067.04 6814.15 4281.62 3591.92 4741.39 4702.2 9044.46 2946.13 4586.66 2361.22 7521.9 6466.68 8715.59 8131.08 7029.23 12611.55 8244.57 2576.51 1218.34 274.73 539.36 673.06 357.85 1049.28 1274.02 939.52 490.19 3136.83 1140.53 623.07 808.58 1210.23 534.89 461.27 1084.81 1822.2 823.07 2379.04 2737.82 1447.78 1340.61 9096.93 3981.7 2706.91 3678.85 2186.91 6058.56 3466.88 1743.52 3220.49 1827.24 1891.21 2182.35 2089.44 1892.39 2092.11 4603.72 1845.3 3899.14 8011.68 2309.23 2394.56 1581.78 3387.38 2970.67 2105.34 1713.18 2662.66 7580.6 2390.29 2610.86 3393.36 5338.55 4892.89 2955.68 5811.33 6310.39 5327.36 5995.91 5213.77 6023.18 U-46619 Glycine methyl ester 4675.54 1713.3 1132.55 395.36 4992.66 2734.08 1443.4 3816.74 4553.12 1720.62 2033.63 2930.35 1490.95 1177.08 2460.72 1392.05 1110.2 3774.2 491.14 2573.82 2734.47 1663.77 458.9 510.42 4767.77 993.18 690.11 1253.61 4361.75 1358.61 4259.7 893.28 770.03 1535.02 439.9 2884.3 3725.97 521.84 1584.28 824.05 2411.12 4127.11 1170.2 1025.69 1356.25 444.12 4545.3 3721.77 789.23 1796.29 2276.43 1221.87 522.46 1672.5 4763.07 1655.48 829.85 873.2 1503.68 410.28 722.34 412.34 3404.51 583.29 1710.71 5685.05 2942.9 1588.43 2959.23 4489.74 2529.72 1370.13 4376.63 924.87 1263.93 2451.2 2480 2498.43 2483.51 2474.01 2273.31 2483.4 2382.09 2546.91 Leu-Ile-Ser-Glu 2213.33 7125.73 11066.54 3703.9 56509.11 3662.06 9495.01 29264.58 6311.96 3001.44 6070.68 24927.1 9199.56 6894.95 13252.55 15546.47 15850.7 16866.94 30106.37 10455.9 33197.63 11703.3 20008.9 7396.87 3076.98 6029.13 602.84 2248.75 28985.2 11890.35 6479.62 6444.04 27583.31 14986 7895.41 29750.95 18655.63 2491.15 6375.8 3027.12 4707.67 4663.9 10464 1120.79 13247.17 1344.53 8119.5 31160.38 16300.31 17571.6 30262.8 25399.91 47424.65 26523.03 30896.63 5457.98 17029.16 634.56 29446.99 8254.63 27409.57 18803.21 21213.38 30047.63 22014.26 9017.39 1482.63 4192.25 3808.87 31016.51 4713.5 10086.35 9175.73 7470.22 8407.46 15100.75 14646.75 13113.61 14683.83 15140.23 15135.84 13477.28 15108.34 15437.21 Ala-Asp-Phe-Asp 4.4 4.4 4.4 4.4 31.54 451.02 342.72 102.65 196.36 341.69 4.4 23.12 437 985.86 72.9 65.22 179.36 4.4 637.49 277.75 5.55 6.91 4.65 6.2 5.4 4.81 6.08 4.54 4.4 4.58 4.47 4.4 4.4 5.98 4.4 4.6 4.59 4.4 4.71 4.54 4.44 152.89 43.02 4.5 4.4 502.65 152.08 134.44 4.38 111.68 280.94 28.71 4.66 4.4 4.36 5.3 4.4 4.4 4.53 4.58 4.58 5.33 4.4 4.4 4.48 21.25 546.37 166.22 39.77 4.24 134.28 41.14 4.56 4.39 4.43 74.92 106.89 116.76 118.26 117.57 117.41 117.62 100.93 117.71 17-phenoxy trinor Prostaglandin F2 2458.35 4866.07 3782.35 7415.88 7209.23 16282.95 10582.51 5465.12 3350.34 9797.49 9967.96 6336.01 18577.38 6823.86 13012.53 5443.34 9763.7 3770.6 7779.38 909.24 3752.42 4943.8 6791.24 5600.54 1209.93 2832.85 4147.34 4114.67 3921.65 2687.09 2399.06 2455.77 6096.35 3304.06 4072.43 967.28 2432.51 1382.8 6498.51 441.57 5264.2 4330.64 10099.9 9934.3 465.69 2238.29 5896.3 5853.25 6517.19 3009.42 4925.4 11902.83 5933.57 10435.96 9119.51 6014.66 5061.73 4628.34 4149.71 3948.92 10946.04 9905.92 3167.25 9909.98 3477.78 14254.55 425.55 8644.4 8237.11 7112.06 10812.98 9976.44 7099.3 13072.85 10423.28 7751.56 8155.61 8604.5 7738.44 8193.34 8540.97 7339.4 7627.15 7913.96 Ile-Gln-Phe-Arg 1087.18 1238.92 1075.54 1153.4 946.94 40851.35 15294.06 790.9 1375.01 1432.99 1331.5 1764.82 644.46 1813.61 335.02 671.93 1007.24 1790.81 753.78 322.35 485.95 706.54 1148.88 980.64 1241.43 892.68 669.9 1176.42 1497.1 1597 472.14 24361.17 1234.92 1302.28 1107.68 1626.64 1543.13 775.79 1564.56 1078.99 3088.56 635.42 1347.45 647.92 1959.57 2158.11 1929.72 675.85 335.1 585.88 1190.13 264.76 1155.74 1142.14 1426.62 494.17 812.03 950.49 1067.69 775.49 1200.18 1563.76 163.19 1430.84 1139.36 1606.71 1212.33 1179.53 956.36 1836.95 1042.31 1380.13 1104.84 716.12 2029.98 3904.74 3902.35 3905.71 3869.18 3857.03 3854.56 3860.39 3793.99 3857.1 Val-Asp-Ile-Arg 2523.47 2049.45 566.71 2299.23 967.35 1703.78 695.6 7376.06 11013 4919.37 5639.08 37718.33 1014.63 2567.66 7293.31 5147.2 1448.21 12944.95 12374.5 12767.23 8338.09 903.99 830.01 1311.22 5711.58 3873.55 1207.62 2580.73 6840.45 7658.25 6143.69 7691.35 3701.56 1931.25 1928.96 5576.84 5355.01 1411.24 1151.21 472.54 7179.51 7961.36 1256.99 1453.68 12017.5 1322.66 8108 4052.71 7763.11 8045.83 4852.3 1784.93 1682.4 660.13 2442.78 507.45 369.91 2821.13 9588.07 4463.12 598.58 552.99 2992.07 5287.92 3744.9 6936.09 5150.82 4086.27 3789.56 7673.11 4881.99 4020.2 5336.42 543.51 408.44 5653.64 5544.34 4128.12 5854.17 6455.38 5524.4 5820.73 5558.9 5516.25 Malyngamide C acetate 408.05 4537.75 6668.55 10144.52 579.81 17411.53 7067.68 938.98 778.54 5925.62 5965.53 839.28 10362.8 4951.79 13346.1 16286.72 11725.73 25548.04 27049.84 14492.99 459.71 17970.51 5458.71 3986.51 1730.22 14385.02 2233.08 2873.29 15498.85 1759.32 666.39 4446.77 1953.92 6156.31 5621.61 2364.41 860.13 3729.63 5016.11 1308.26 6952.27 770.01 9680.58 8298.11 6759.28 16050.14 16425.15 9214.19 1981.58 10867.44 1235.47 13928.91 8891.12 10637.72 1153.5 13911.38 6262.57 5789.26 5446 13522.38 7632.15 7154.3 4238.29 15547.45 12868.84 922.14 896.77 7121.44 6946.8 2118.12 909.87 8823.2 713.19 15920.3 12733.57 3511.47 4208.89 1921.84 3341.23 1713.46 3060.56 2766.74 593.08 5224.63 5818.82 3036.25 1913.49 4302.76 3266.68 1205.48 3468.83 2737.55 8720.21 8933.01 8602.45 9121.46 8550.09 9199.67 8733.31 8844.14 9238 IRIFLOPHENONE TRIMETHYL ETHER 24443.13 14746.08 24358.9 42222.91 28799.31 50276.58 30451.76 34995.2 38615.42 28452.56 45711.22 41468.89 38229.43 29705.99 23062.91 38558.98 18320.44 36568.22 61736.99 56548.89 21708.89 16858.66 16234.05 16389.23 29948.55 27009.36 9305.54 20442.37 21386.74 23899.75 33466.2 31369.3 11144.74 16170.87 10333.59 20145.25 10010.16 2886.96 18396.44 10537.97 44124.18 26899.44 22193.42 26005.45 49073.22 58280.91 45918.47 31690.09 9673.79 46069.54 18410.35 22240.86 31731.06 25617.32 25326.4 14266.17 13212.85 15301.51 24153.51 12336.19 16172.49 38108.97 7703.12 25661.75 24706.31 28605.7 6201.12 30724.1 31664.49 17832.3 19393.56 28706.81 48598.56 29906.93 39180.44 32153.47 33828.33 32657.45 32130.49 30999.09 32171.44 32637.57 32641.92 32681.31 Asn-Leu-Arg-Arg 26202.29 19223.21 2660.61 1322.69 7273.66 6519.11 14986.42 8077.6 8030.51 11361.19 26140.1 24785.35 2188.3 19753.58 31952.69 22448.67 12323.81 7116.7 19870.69 7642.82 19158.11 4005.17 5722.86 21836.82 11874.87 15878.5 7551.48 18632.99 8178.45 21590.98 16523.29 43144.22 5507.1 3929.24 13362.76 18379.97 35836.96 6154.5 17588.15 16624.12 3089.11 36245.66 22199.55 21986.31 7966.12 972.48 5051.72 50193.19 23777.99 7018.36 22131.87 26336.91 25196.53 31381.69 16427.61 21887.17 13300.53 2689.03 29976.09 11012.39 29622.85 12134.02 5685.28 13823.07 45878.57 26310.24 38576.45 25866.97 21510.54 44605.78 11501.59 6278.12 57393.99 4512.1 3774.37 8069.09 8718.5 7409.04 8471.36 7512.08 8477.37 6605.75 7323.75 5968.74 7-HYDROXY-7-DESACETOXYKHIVORINIC ACID,METHYL ESTER 2405.07 1664.65 1549.99 694.33 1702.98 5059.98 1143.05 8333.53 11647.4 4315.16 6719.83 10344.99 1222.91 4421.76 9779.22 4717.04 5920.95 13057.54 17908.47 9368.75 7082.89 1070.12 1476.9 797.93 5216.09 2443.44 1698.72 2116.91 5898.87 2078.06 1514.55 5060.04 4717.65 465.15 1476.36 4729.52 4233.92 1168.11 503.66 1928.35 5426.1 11125.55 6832.7 505.89 10781.22 664.53 12634.57 7219.47 1099.47 13422.26 3726.2 5150.85 2832.82 2856.62 4548.35 596.56 898.53 3941.83 10439.07 2940.27 5550.81 870.53 4264.59 8346 7985.44 7020.92 5795.54 3242.86 5702.47 5142.04 6004.44 9714 8735.94 4771.39 662.73 6812.2 6595.45 6830.22 6854.59 7385.61 6122.25 6600.82 6810.45 6607.88 METHIONYL-LEUCYLPHENYLALANINE 35827.62 17918.29 3398.62 1762.74 22860.97 12434.32 3461.75 43803.99 39942.11 36788.57 20197.74 35511.74 12908.44 20748.73 42833.26 35588.72 9033.28 40496.72 47354.81 65462.61 39158.37 26479.8 9440.4 12418.08 30587.28 14079.39 9819.62 6203.96 48131.13 16063.64 23177.9 42939.9 19078.19 8812.78 8068.95 22059.73 25333.65 5124.74 8936.71 7230.85 16761.37 30712.79 20412.19 10059.88 45400.32 9182.33 40415.71 25700.71 25416.87 39102.07 31749.21 26436.59 18294.64 10890.77 35913.05 21114.54 784.84 6716.79 37283.15 9521.97 12872.66 7103.29 34601.61 28438.67 20206.23 41266.04 53002.61 20315.39 17348.02 38462.35 29149.01 35663.3 25038.74 16540.42 10406.57 28273.27 28645.53 28732.03 28736.4 27534.9 28550.15 29540.14 28261.21 28732.78 5(S),6(R)-Lipoxin A4-d5 141.76 43.44 892.93 11516.07 71874.54 96968.35 84740.26 685.39 50.19 58.22 862.73 262.45 6253.71 66.89 532.04 2677.28 1140.36 66.14 61.22 72.91 304.43 689.11 651.05 560.78 116.89 101.7 186.94 589.62 48.06 458.04 357.59 508.08 240.66 941.75 61.9 49.88 42.93 236.88 108.85 490.31 25143.41 1638.97 52.3 767.97 74.21 4809.49 399.84 73.29 488.06 42.21 551.57 1057.36 148.97 639.25 1198.27 101.39 40.83 1207.26 637.47 3505.93 1145.01 1653.3 77.62 109.36 588.09 217.66 275.05 478.8 501.53 569.77 417.61 404.32 435.01 948.92 1201.18 6906.96 7030.37 7029.56 7031.17 6990.94 7541.53 7021.98 6783.99 6931.97 Thr-Phe-Gln-Asp 58123.38 70898.51 89130.83 52030.12 43715.86 5175.28 33141.99 56771.76 52027.09 59124.02 44006.95 28478.78 45806.25 48499.48 66414.75 52198.35 54560.53 42810.33 87302.68 33373.13 61558.54 21749.59 89984.28 78528.67 78644.81 34508.99 74228.67 48731.07 75080.07 18428.58 20960.25 67769.8 45923.2 63966.81 39573.01 85681.21 49437.49 3260.4 53192.01 24932.16 4406.26 9220.03 9371.62 5491.59 11677.65 8969.4 6530.7 4893.36 16777.22 8945.95 7705.15 5290.7 21335.19 16818.08 14089.74 7063.6 17278.37 6298.97 11940.2 1671.88 17449.02 17486.2 25244.66 21956.75 20209.1 28791.89 8800.66 22409.94 12404.77 23019.88 11540.42 24455.8 3069.34 9844.39 8338.6 9936.25 9643.8 10302.86 10252.69 9543.16 9484.08 11432 10428.71 10052.51 Val-His-Leu-Asp 6839.8 4763.96 2997.84 7263.34 15006.6 13413.1 12092.48 10589.35 17791.85 12949.76 13900.96 15818.59 21995.4 8406.51 12987.71 16026.04 8620.65 12147.87 21094.61 18320.09 11051.37 8962.66 6399.69 5406.88 4400.98 4074.79 3747.8 7006.99 4407.43 4784.26 2457.46 13056.3 3452.11 4826.52 5979.51 2046.4 5753.16 492.04 9026.57 3121.88 15922.92 17371.54 10189.2 7360.74 15285.3 9762.27 11888.77 9277.62 3585.81 13981.03 9384.47 5325.39 7519.52 9052.85 6622.64 5238.47 2502.36 3490.81 6875.95 10478.66 6368.24 8520.46 6343.27 10544.57 11636.86 11924.18 13506 10915.78 15407.82 7361.41 10072.58 17380.91 6696.3 5370.93 10509.24 10924.84 10718.28 10589.49 10877.47 11504.89 10817.31 10686.27 9006.78 10715.48 Phe4Cl-HoPhe-OH 6249.25 17344.05 13983.64 5529.88 2702.41 2996.9 3690.25 2919.82 6787.28 10122.16 14313.01 2651.8 1395.4 5520.74 4655.79 2302.26 13212.45 1302.83 909.47 3858.28 2920.22 2249.28 5586.64 3623.31 7304.33 27722.55 21065.51 12801.13 5115.6 3253.72 2106.13 682.87 2036.26 4418.87 2658.51 3466.17 17263.67 4645.26 15633.93 36409 1071.08 1128.08 4369.26 10699.37 720.25 1137.88 3914.52 5594.6 3135.8 5066.3 4660.65 11671.91 8665.3 12091.19 4313.14 13181.74 19348.36 2655.14 921.33 2581.5 4320.59 7135.64 13089.19 22597.91 9533.56 2984.89 2307.46 10857.61 12866.54 5447.61 4455.11 32419.17 14078.63 7232.15 25426.81 5124.56 5405.36 4866.02 3797.41 4416.24 6328.1 4728.82 4632.86 4612.34 (5E,8E,11E,14E)-19-Hydroxyicosa-5,8,11,14-tetraenoic acid 3490.91 3171.47 323.38 455.65 8840.12 9205.23 2637.11 8614.03 11968.2 1857.54 1388.72 3405.55 974.93 2670.99 15909.71 3191.25 1002.07 2203.62 857.55 1295 11952.05 5105.75 1388.45 324.04 4736.15 10077.94 1127.27 363.36 4369.2 5844.26 14974.48 11072.31 8753.02 647.2 401.56 4154.86 5141.37 3105.24 2364.64 306.1 18638.65 5662.89 3135.49 1435.56 13697 1059.04 6487.16 10569.84 3942.66 1248.14 5493.63 11314.2 896.99 303.19 13130.27 6088.66 741.93 399.25 19710.55 14108.66 705.32 1893.64 20087.81 440.61 2479.1 9497.24 3824.59 1175.17 1216.96 5922.52 5730 2316.13 624.39 2859.1 1254.42 7103.18 7146.41 7147.91 7108.39 7393.89 7381.78 7341.65 7355.59 7102.34 Ile-Asn-Val-Asp 11506 6146.24 2172.14 3026.16 4069.55 12072.23 2350.13 11675.01 5401.52 4476.27 6887.11 5305.25 4401.75 5871.99 10178.56 9209.98 2537.62 8209.59 13369.2 3021.43 6858.37 3899.43 8190.75 4948.98 6461.31 4752.88 5069.78 866.31 9026.16 1377.38 1604.75 5626.19 5552.16 7069.45 4815.97 16265.89 17998.65 4931.74 6231.14 2808.19 2772.25 1219.15 8998.89 1799.09 5945.51 1634.41 3521.94 8611.49 6135.98 9805.99 19672.34 5161.5 18882.92 7822.93 11412.27 6239.58 4664.11 5888.86 10016.15 10812.21 17913.33 13963.86 12643.08 8754.34 5950.56 8289.48 2253.72 2533.84 3749.91 16398.1 11886.02 5734.8 12968.5 6210.69 6305.87 7134.44 7139.19 7485.37 5369.32 7185.99 7439.05 7521.87 7519.88 7123.35 Val-Glu-Phe-Asp 93641.9 87871.33 143531.69 88318.66 69119.38 18540.31 53881.57 84706.92 90157.53 86568.96 71009.07 48386.98 80241.59 83146.26 109670.63 95464.22 99877.49 55600.79 148038.77 48318.18 100060.42 30520.76 151052.15 136453.34 145972.75 58614.68 138906.12 86956.84 139931.61 34201.93 29643.7 116249.3 84181.22 109518.24 71391.29 139592.57 96473.33 10763.38 93758.64 43222.08 18223.09 7660.67 18617.77 13057.14 9740.48 17684.69 16721.85 20857.14 27469.56 19552.37 19831.11 16009.77 22355.29 25567.03 28563.24 23941.57 31496.62 12251.47 16831.09 3294.14 26841.42 37916.39 41725.16 34957.5 26652.34 43869.22 5467.37 36799.57 27058.47 43115.56 3668.5 19596.72 4430.67 16021.09 19744.21 20810.2 20523.99 19621.25 20892.54 21336.8 19680.57 20715.12 19924.35 19755.49 Abu-Asp-OH 6735.61 24467.41 17416.2 22796.65 15776.9 1730.94 25869.96 10347.8 2976.23 14559.3 12911.27 31772.37 36184.74 32704.28 22150.73 13514.99 23815.91 16984.02 55320 11636.92 4189.97 15054.78 21039.87 16760.93 12651.16 41184.05 18053.41 24443.38 19512.86 19776.92 937.85 20194.34 38033.65 2926.36 32015.51 15772.8 10930.36 5222.5 23139.96 28001.32 2646.09 11892.43 46608.8 63194 14699.11 20747.48 13110.94 36267.39 11782.57 16456.04 10206.5 13319.94 49173.1 51248.91 21449.13 31049.74 3919.51 4464.81 12211.96 14488.71 11263.82 2142.9 12132.87 42276.57 24922.44 17105.61 20542.25 53323.29 31158.44 17714.25 17625.11 10072.91 10552.05 18825.06 33007.42 9529.2 8193.84 8890.21 8644.19 9580.33 9525.63 9527.16 7716.8 9572.9 Tyrphostin A25 18610.42 28680.14 27539.98 22133.06 21571.42 15963.13 25644.7 24473.74 15887.63 18539.28 15309.92 15865.7 16085.93 23369.95 16832.56 26525.72 29809.04 22518.25 22630.28 27249.36 24783.92 17470.97 18013.5 33645.47 29398.95 17640.93 33003.12 21069.09 30048.15 19314.91 17085.06 32498.62 17631.82 26582.41 40670.56 21518.21 19190.45 20667.85 35413 17207.21 17960.88 33435.64 18316.4 27266.93 35801.59 26317.69 38154.52 20564.21 20685.24 29343.05 42364.6 26832.27 19761.66 27215.67 18679.82 28457.89 19164.88 40775.41 28794.26 31689.92 27174.42 18417.6 25601.08 26404.2 17867.2 16972.24 27476.18 24916.36 17417.77 17818.63 28573.49 20556.44 15672.29 16608.73 17324.22 23333.11 15835.32 16640.3 17614.26 15975.47 14777.17 18551.76 27887.5 17232.0 20763.83 17185.44 22359.58 19208.14 26201.43 17574.4 31209.22 17240.64 31503.58 33429.24 18826.76 25807.98 20205.57 37811.58 26383.47 28006.22 22875.93 20846.62 22020.75 21341.26 20862.63 20929.18 20868.97 20845.58 21801.82 Ala-His-Tyr-Glu 350094.9 243326.06 42675.06 112418.14 303432.33 307866.63 261228.93 460108.84 402799.91 314820.35 276982.87 394405.91 282566.3 299496.3 355582.9 316415.12 188039.41 411729.74 373712.37 316739.91 261123.68 108677.05 112509.97 121142.78 255132.71 217100.2 109755.25 219371.35 362716.49 108376.17 272393.61 320389.28 160328.61 98187.37 89036.97 334286.72 255254.12 42454.88 209073.89 125043.01 398456.84 588117.59 172645.21 240377.37 487274.73 313497.87 517272.02 275905.07 257427.93 469516.87 326307.8 266027.66 158120.43 229697.66 299828.47 268157.36 43078.93 59906.71 334308.28 126592.9 153467.17 144561.85 235178.89 162172.23 211321.9 400603.35 266966.43 271147.94 282753.17 339189.07 364074.94 325316.31 310403.46 229479.23 256358.25 375197 375144.32 374846.08 374590.38 379939.5 375138.51 372462.88 365219.94 372119.93 Ile-Arg-Asn-Asp 4342.37 2867.04 1918.09 3013.62 2995.94 4547.98 2914.42 8589.19 4801.07 4577.79 4055.95 5561.47 3765.37 1325.73 4142.44 3748.47 1216.56 6186.73 8881.6 6766.49 8510.44 1639.43 1702.57 968.65 2547.81 1610.17 1620.58 1944.56 2355.48 2138.58 2625.47 3863.14 2938.24 927.63 1243.62 1410.96 2039.3 1066.16 2179.67 555.14 5582.79 4953.22 737.82 2636.17 6799.41 6383.72 5110.72 1234.09 3491.07 3842.44 1627.19 3953.79 1698.23 4112.41 2361.71 1586.49 1728.11 2281.6 4254.95 5859.83 2628.18 2951.13 3855.11 1696.68 4644.41 5681.82 2414.11 3248.68 3870.06 4429.88 6473.74 5448.48 5348.57 4440.29 6917.22 7347.28 8056.35 6543.77 6936.81 6477.56 8037.18 7225.74 4949.35 6591.73 Asn-Ser-Leu-Arg 3708.16 6440.31 1484.21 1981.97 3195.43 545.34 5427.01 10096.65 6085.55 10335.57 6499.78 15091.77 935.69 7055.99 14468.22 5033.14 1279.93 19225.67 15825.03 14747.27 7498.71 896.93 2648.56 3229.99 10825.88 7400.16 479.64 674.15 13119.11 8189.87 10758.22 14451.69 8894.12 1879.12 593.51 15457.45 13802.67 1902.98 391.19 783.73 6944.8 13322.54 6562.48 4553.29 16837.68 490.59 10149.88 10177.98 413.02 8683.23 5269.11 8263.47 3782.67 621.77 5751.43 10188.41 961.03 3087.46 15228.24 3963.16 3684.52 1873.46 8976.23 6922.68 7505.83 8272.49 11438.11 3894.45 3666.67 12506.71 5697.85 10344.14 5152.67 2727.2 2966.15 3609.91 3828.84 6881.55 10761.22 8063.12 4513.26 8578.74 2329.77 3192.46 8270.53 8996.72 1236.23 8632.09 1380.18 3307.21 1850.24 4688.53 14951.13 8931.18 4317.24 6649.17 5671.66 3558.23 4800.34 5301.88 9235.45 8996.44 8192.67 9021.31 9132.32 8947.99 8955.99 9642.57 8781.66 Ser-Ile-Arg-Arg 6963.42 2278.28 3776.79 5609.95 16319.68 1401.31 6368.3 13473.44 404.85 1560.11 4511.67 14977.3 29041.29 8983.79 3610.94 9889.86 2298.28 15620.1 25057.45 2491.26 2706.19 407.64 6214.13 3314.63 3059.51 385.85 2807.17 1661.42 3742.4 3071.24 1982.48 905.7 4112.65 5544.24 419.5 10603.29 4386.92 297.38 6911.93 1065.19 6493.56 8087.28 9194.46 5090.17 6848.49 2389 2445.65 13485.41 8346.87 8924.32 12531.22 18387.3 58589.95 8770.37 11733.91 2044.08 19769.21 2305.74 12045.16 1576.3 12390.86 36023.33 5489.07 8750.01 6215.14 6307.97 5077.39 2935.14 1076.95 12662.23 2243.91 1596.63 5469.11 1033.87 12714.17 12044.63 11494.68 11942.18 12119.68 11413.44 11842.84 11896.94 9158.22 11925.01 Ser-Lys-Val-Glu 790.47 3863.6 4238.14 1231.94 11866.12 5840.85 1621.72 9458.98 2222.89 2204.7 2463.55 8120.51 5059.48 3235.2 8381.34 7070.05 2846.23 8778.94 6381.92 5871.68 7342.29 9939.84 7502.73 3411.45 4411.01 3052.62 1203.39 1112.23 12066.74 3461.52 2358.5 3637.32 13374.78 5375.37 3125.04 9529.66 6579.95 1601.36 2539.22 802.16 757.52 1400.91 6840.07 3997.61 6428.26 641.68 2816 11618.3 5025.49 4848.83 6775.8 12960.6 17837.56 7125.6 16203.74 6103.29 6948.25 911.9 10107.46 2520.92 19379.97 8917.27 8720.52 15655.51 8720.96 4642.85 1785.42 1201.83 1844.99 11948.78 2276.41 1451.65 6117.83 852.89 2938.63 6530.12 4960.77 6158.01 6190.59 6572.24 6553.17 6132.18 6762.22 6833.06 Asp-Lys-Tyr-Asp 7290.35 4663.57 1798.64 5436.39 11930.06 12513.05 6625.98 7855.41 14476.82 8795.79 7856.49 8629.49 5836.67 4598.33 8677.55 6164.06 3511.68 18343.95 8961.68 16194.62 4027.7 3025.25 3743.04 2070.03 2852.53 3524.88 950.03 4095.1 2998.39 1306.43 5151.09 2541.17 3599.71 3854.88 3586.22 2629.14 2090.36 703.21 3325.17 1891.56 15316.6 6446.83 4650.17 5638.15 19701.88 2875.69 11260.6 4189.41 4388.53 8542.76 4108.24 7124.81 4431.97 2153.59 5276.18 3799.56 2866.22 1689.4 10998.89 5051.47 1500.7 3588.22 6785.71 5377.43 5772.01 15816.65 9370.82 3642.84 5777.78 5975.31 17900.49 3996.92 4042.42 4187.15 8123.47 6533.27 7057.62 7083.53 6842.41 5162.54 6621.48 7310.9 7023.85 6495.99 Phe-Asp-Glu-Phe-Leu 6049.33 4831.57 4650.8 7650.78 467.94 3520.59 14435.3 9608.33 6893.29 7269.55 17540.21 24169.49 10338.31 11028.37 6417.3 20456.93 16484.69 5024.66 23836.29 2088.62 4822.36 1648.7 5195.93 6965.82 2550.04 2110.01 1895.7 5979.54 1487.89 8560.51 4731.36 8194.24 2855.17 6514.61 6777.62 3747.22 7006.97 2744.79 9572.8 7750.02 3744.63 6482.67 9755.26 10415.29 6128.4 7166.77 3057.89 9461.48 6647.09 13980.78 921.66 7656.26 12384.78 10226.63 4114.47 922.93 7376.65 5223.45 3895.81 1038.68 9440.38 11394.12 1458.93 16654.54 9274.88 9752.72 12133.69 11599.97 11594.01 5202.59 6039.97 19443.1 12149.97 11837.05 13552.08 7974.59 7908.03 8299 7877.61 8574.15 8334.39 10526.95 8291.84 8564.12 Nap-Tyr-OH 683.23 1615.6 10526.84 6499.59 2586.19 654.1 1205.97 2138.06 6392.49 4572 5310.88 2478.14 2556.09 5275.95 1349.01 3163.58 830.53 5311.65 3960.18 5661.91 1272.67 1220.92 1576.89 4004.48 3643.32 3617.79 960.31 2147.85 2349.04 3127.4 951 1672.22 1030.21 3372.5 3153.4 5309.57 2323.26 1240.93 2038.07 3493.27 1885.92 1060.1 4074.45 5777.84 578.67 5868.61 7328.32 4433.67 4405.91 1760.66 1056.81 8381.35 7382.23 3066.87 5830.96 7573.79 11561.13 8553.1 3261.42 10495.63 3167.44 6077.38 4068.4 11161.32 7896.5 2177.99 2077.86 4017.36 5919.36 3208.62 3142.09 2575.59 1047.89 3436.71 9347.9 12269.65 12335.49 7192.22 26867.77 8477.88 8553.86 6064.62 4456.57 8507.47 9227.95 20726.32 8217.14 13668.58 16458.96 1594.05 15521.7 18558.25 25852.04 17189.73 14337.57 12809.19 13344.03 10529.67 10954.07 13345.42 5271.7 4934.58 4947.01 5194.2 4985.75 4996.48 5743.71 5755.19 5247.7 Gal1-3Gal1-4GlcSp 13093.82 6275.04 965.43 829 2338.94 2377.86 1468.05 7846.75 17720.55 938.59 4097.02 4132.27 627.35 1666.98 30143.32 9715.18 6073.89 10762.69 4059.69 17259.29 6790.62 2836.04 336.97 815.58 2906.83 2850.53 316.79 716.36 17114.14 2927.53 1539.55 2329.35 18612.12 1153.08 1292.4 3415.7 4420.33 222.55 557.25 648.91 5968.2 5613.91 1533.97 4515.23 5000.38 3760.5 36987.26 1695.42 1098.16 6032 1722.1 2219.26 647.16 1954.37 4122.74 19580.02 790.24 624.57 14040.5 6443.26 2555.84 759.6 9575.26 3447.23 12074.96 4946.6 12863.9 3267.4 8412.74 8795.78 14991.94 9111.13 10467.43 4829.6 1658.16 98970.35 101124.71 167418.09 97229.17 69469.39 50878.76 162757.55 65480.77 170479.82 180046.42 164270.53 105087.03 87484.4 47327.45 117118.63 105460.59 84475.72 79817.81 161945.11 179588.82 170047.87 223120.88 148680.28 90672.39 132884.3 9201.04 9516.72 9402.54 8880.83 9595.78 9920.97 9182.9 9613.6 9628.61 Ser-Thr-Asn-Glu 398.39 691.39 1037.58 161.36 834.57 752.37 1306.26 678.24 338.18 995.76 423.42 504.26 440.91 789.15 613.28 998.33 522.54 373.91 1375.81 604.47 471.06 1188.74 421.76 244.09 280.49 834.3 316.97 359.01 433.86 314.41 435.71 564.78 281.29 1408.98 338.56 537.45 398.15 282.57 453.9 489.05 788.8 424.8 301.98 868.69 391.41 2668.63 613.55 840.29 252.63 770.53 267.64 476.6 186.2 553.45 560.11 630.21 1426.18 2228.23 512.81 658.78 407.84 148.16 567.07 188.4 217.48 1363.9 488.99 266.46 517.79 630.92 484.12 649.06 169.02 918.68 612.02 1307.86 1931.51 1932.56 1933.73 2013 1869.99 1849.23 1871.57 1837.36 Fuc1-2Gal1-4GlcNAcSp 16471.97 29400.31 20354.23 14549.23 13784.97 7328.82 12783.79 14544.09 16754.92 19689.83 15363.44 45552.6 25983.9 14034.64 52767.33 21848.97 81322.26 5884.83 74891.56 6755.88 14387.3 5341.03 12779.37 25942.7 15201.56 12412.99 19451.16 16465.69 64469.5 1275.74 2039.62 11332.34 36376.29 15728.33 21582.2 12393.22 10912.31 3626.13 16014.6 16225.95 13573.68 6156.87 34907.53 31842.64 34746.63 7857.8 32146.72 48873.57 15622.35 28425.96 7009.58 28100.13 26027.7 40184.71 17304.74 48768.01 18191.93 26613.2 31219.76 29564.91 34828.69 21521.91 37104.87 53573.89 26720.87 20710.7 45076.47 35643.6 33414.46 16175.02 15577.24 52472.02 21409.84 51109.36 33979.06 23154.13 21827.39 23863.77 22014.06 22935.29 21127.96 21778 22976.45 21936.55 Ser-Nap-OH 4108.48 7655.77 3282.34 3817.13 3420.38 12206.8 4256.1 6161.87 5237.89 5934.42 2934.15 5484.45 5652.54 2243.17 6386.47 4805.76 1484.24 7860.62 5872.7 16691.99 4106.36 2835.46 2282.76 1602.76 4285.59 2946.75 857.81 1601.61 6841.49 2058.41 3890.89 6076.72 3172.11 1677.72 2242.2 4233.14 7188.5 1788.22 1629.45 726.83 8339.2 4817.13 2248.9 1893.98 11822.48 4968.8 10087.47 4699.84 2999.34 3548.06 3344.01 8021.16 3995.71 4707.49 4562.3 4246.76 869.21 1962 4213.21 3163.75 1265.18 1043.98 5201.63 2082.53 3693.79 8441.88 11309.22 4155.16 3659.94 4255.06 4063.58 4098.01 3427.17 3203.24 2372.08 5727.69 6488.5 5989.87 5730.82 4076.74 5994.12 5689.63 6342.25 6031.41 Ala-Lys-Asn-Glu 2091.44 2337.95 526.61 310.94 2784.26 1051.15 1433.08 3029.18 2362.37 926.71 2724.36 1735.95 2027.57 318.05 2601.04 473.68 1250.15 3254.87 1095.35 979 1368.28 4735.51 399.19 414.33 416.23 760.67 708.85 1142.75 1629.76 745.22 1685.24 686.93 768.83 332.25 375.05 1018.64 1629.39 3163.52 1625.69 777.05 4895.1 2847.54 655.95 837.86 3027.41 873.97 2834.18 1267.58 529.59 1548.94 1851.63 718.8 962.3 3034.04 481.75 369.83 872.72 980.32 3010.53 2103.37 1851.03 870.48 882.91 1259.24 2318.24 2423.72 1910.58 461.69 1286.81 738.01 1787.91 1987.87 1067.02 1412.66 1316.34 2516.05 2615.66 2547.92 3443.72 2203.69 2768.87 2549.99 2667.07 2768.83 Ser-His-Gln-Glu 4330.78 5921.61 2331.55 2711.67 4598.66 7216.69 2569.14 9374.62 10026.62 6195.86 11894.7 23497.65 4897.11 9998.29 7217.62 18042.63 11368.92 6583.98 23889.77 14349.12 4638.93 1728.2 3648.73 7061.85 7144.08 9037.07 8828.42 5260.03 6638.43 16776.25 6728.54 35896.05 1926.56 6050.07 4468.05 4530.77 3058.43 868.84 1141.66 5614.37 3407.05 3411.08 11482.55 6453.99 10030.26 4628.75 7991.96 13677.5 9806.63 29995.76 4095.77 3132.05 7299.4 7586.84 3049.93 4185.98 2269.12 3373.87 5515.66 9881.58 9228.21 7938.3 8200.35 10122.95 11115.17 2611.07 5615.97 9883.16 12188.43 5915.28 3974.13 21277.28 11621.79 14886.33 5962.52 8061.28 7929.15 5320.73 9014.13 9179.38 9556.38 8055.98 9992.76 8935.23 Val-Leu-Gln-Glu 49710.98 55405.31 53321.59 25024.02 2371.48 23391.97 26734.33 42324 32141.98 43918 40958.2 41145.53 35387.35 44130.06 60575.14 44247.79 72041.52 33012.07 15507.85 31330.6 56693.46 41920.39 33220.62 47722.94 40982.66 64276.44 84331.81 50827.07 67747.1 41546.27 45491.61 33951.86 69192.59 45890 46152.67 36188.03 56976.78 21284.05 47828.98 65736.18 39953.33 58607.57 44202.44 59335.58 50703.61 39550.09 48352.62 51110.54 26084.83 40441.69 40262.2 33286.33 38463.81 74301.85 34181.28 55282.59 62144.38 71811.74 28476.86 36222.3 40656.03 51888.46 35344.09 27825.2 39289.03 25122.74 42508.24 39698.95 53492.81 28113.64 12216.38 52126.98 51317.08 33898.31 34352.19 34428.13 32471.75 36895.47 32722.27 31990.7 32113.42 34411.22 37031.56 32008.3 Nap-Gly-OH 2192.63 4673.68 1075.18 1674.82 1232.23 4036.66 1460.72 1770.59 2078.8 3493.67 2802 3574.56 1807.52 738.46 4886.89 3715.91 3544.17 4676.57 489.04 5930.24 2239.42 1601.81 438.09 545.3 1828.91 2638.25 2462.02 1129.86 438.29 812.53 605.18 1496.92 7010.04 580.73 4691.95 2376.39 1151.3 585.28 1401.79 1400.91 554.26 338.06 4025.59 1975.71 3585.42 532.42 7133.09 710.29 2531 665.24 1070.65 1460.03 447.01 1525.63 1068.29 4177.6 1441.92 2552.32 6219.17 6929.9 2316.85 1112.56 4366.49 2746.49 4858.53 909.03 1283.6 700.26 2714.49 5010.74 6921.77 4854.41 6998.3 3536.37 3369.32 11062.59 18569.74 26199.76 34971.2 32960.91 7268.41 16177.67 19475.34 32816.77 53342.79 14243.7 4486.15 41798.18 20534.71 16531.3 25731.44 15396.53 19318.62 15766.98 12638.17 9198.72 17126.46 56820.05 15680.37 7714.36 3990.14 3756.3 3848.73 3908.96 3987.81 3976.15 4037.46 2983.17 3848.35 Leu-Glu-Cys-Glu 23034.59 16594.92 2421.35 8797.42 36672.07 4851.09 8224.91 27887.14 7710.7 22125.18 9005.76 54205.59 36442.09 25365.1 30790.98 19020.04 8323.62 67356.28 22177.68 24181.46 21976.93 1610.1 3253.36 4912.84 16712.22 7995.44 2950.59 8529.69 31073.49 19172.68 12398.84 8291.16 3641.88 1510.39 516.01 21935.37 18642.58 4734.55 7388.61 10265.73 64707.3 38223.81 6128.59 20369.41 37454.64 27932.92 18916.83 10423.02 2078.8 26325.77 19302.12 19931.41 20417.56 25972.01 32574.52 31093.64 5035.15 5856.51 12723.8 1554.7 8245.81 37300.91 15367.79 11836.12 23112.56 45370.48 39603.64 33397.47 19393.14 11247.94 12179.44 21601.31 21050.12 5505.93 8142.21 24614.96 25133.34 25171.19 24562.83 25175.51 24930.6 24628.68 24227.58 25443.14 Abu-Ser-OH 8081.25 8982.9 2481.28 9835.95 7271.64 15638.81 1393.92 6499.68 1883.5 3901.45 3788.46 5127.87 13308.39 16270.1 13912.94 7115.35 7974.98 40876.38 16291.13 30106.16 2893.76 2773.09 544.19 1111.15 2478.37 3473.05 1211.19 1709.08 7349.94 1093.29 10162.82 27223.89 461.47 1013.94 1461.98 2704.75 2118.18 1757.13 688.82 943.84 20918.65 8088.99 2099.1 5614.49 28834.05 13495.69 17209.68 5637.96 6386.56 42343.15 6668.99 15969.96 3650.81 7981.82 6949.43 12160.13 2412.24 3610.08 2666.62 5051.23 4136.48 1371.83 6248.91 2097.27 4164.71 11583.94 26821.08 1293.73 3831.13 6541.2 5126.78 6847.81 5887.37 9481.72 3836.96 11257.09 11392.82 11238 11284.65 11392.36 11198.33 11397.45 11401.12 11342.05 3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one 18119.67 1753.42 843.97 412.1 13971.75 1401.47 1234.78 34424.53 27258.65 7361.37 3677.96 21435.32 1557.94 4603.18 9239.65 9290.89 1907.39 16889.74 8073.78 36492.83 12907.14 2134.11 452.09 2294.34 24393.61 1645.45 518.67 9825.58 29791.98 20555.4 31241.68 7358.5 3259.72 1888.22 368.88 25278.59 16533.95 500.84 596.47 3107.93 37261.15 31011.62 1338.81 1985.17 24497.83 1843.51 56539.19 5855.68 14385.57 24162.79 7239.88 2467.28 373.35 2528.66 10846.58 760.45 1074.66 320.11 12211.31 2748.41 799.02 986.79 1471.55 1007.2 7537.47 14657.49 9199.72 12689.86 20331.38 21511.15 15769.74 7897.31 17595.07 1513.69 4913.29 12697.35 12642.62 12834.51 13337.19 12789.47 12639.11 12790.78 12335.56 12646.51 14,15-Epoxyeicosa-5z-enoic acid 3699.85 4631.65 7715.95 8985.99 11429.45 7151.52 13882.21 1482.91 2057.07 4068.7 2571.8 8865.68 23856.67 9051.7 4139.35 19945.82 6942.92 4624.94 4239.31 2726.58 1941.66 8680.85 5994.44 2434.17 2018.56 1677.72 2490.47 2387.57 3487.17 2738.45 3125.24 6234.99 1888.15 4539.98 3232.43 3659.08 1315.06 1419.36 3744.31 3048.18 6772.93 4645.9 4606.36 6680.58 4329.73 12293.52 1604.78 3077.99 6072.54 5276.71 7383.2 8232.66 5762.94 7313.22 5483.84 6469.84 11647.76 3237.85 2047.06 3571.47 1914.83 6001.89 3978.39 4064.8 1693.87 5058.05 8695.37 4076.99 2882.05 1998.67 1306.75 2739.49 2775.03 9199.46 3846.7 4213.36 4238.79 4403.85 4397.77 4251.48 4362.94 4398.38 4152.63 4413.26 Ala-Val-Asp-Asp 17074.89 24128.1 9904.34 14809.84 13457.61 8035.58 11732.21 9635.55 15453.24 11056.49 26828.19 17281.39 23949.95 32035.37 24339.75 29176.36 19097.25 43290.74 22603.72 41789.85 5736.09 10445.22 10629.99 10087.19 6033.07 9348.34 2527 8195.92 20215.23 7891.23 26676.68 41102.96 9407.15 12252.38 7251.66 12880.47 6235.6 3463.93 13348.79 6319.39 27963.11 23281.46 15882.48 16900.29 39655.84 21601.48 31105.88 13773.83 14054.26 41764.77 15816.17 30649.48 16170.26 18494.34 17507.52 21761.85 6672.18 10664.49 4761.52 10748.88 11374.55 13605.38 18857.19 19764.75 23281.49 19722.11 38562.74 12350.66 17978.31 15618.73 7254.31 19753.23 16402.54 28756.57 23723.66 22699.82 22822.3 22074.21 22712.62 22757.43 22757.91 22710.48 21586.33 22072.59 13(S),14(S)-epoxy Fluprostenol isopropyl ester 20643.97 23606.98 2865.76 5308.59 8647.42 20294.54 7180.01 16850.73 16031.24 6813.25 15898.98 13367.53 27521.65 25368.23 71854.15 19555.56 13351.28 49796.39 26608.18 99438.53 14640.46 3706.43 5545.33 2084.82 9730.41 12224.22 5239.23 5761.48 13449.69 9557.85 32082.02 35447.21 4529.93 7032.06 1752.41 8079.65 3546.74 424.37 6589.93 5056.55 6535.41 40103.06 7167.86 9089.28 29343.46 25816.71 46968.88 7636.46 14435.03 72210.89 14857.77 25374.44 9403.34 16968.95 12403.43 31502.68 1369.05 1954.86 12730.68 5796.4 6482.87 1452.77 19537.53 11691.78 20422.24 26465.47 50263.71 5527.89 14450.09 20200.13 11078.15 15480.08 11392.78 10468.43 8474.55 16972.42 17095.85 16857.3 15816.29 16180.5 16124.58 16168.4 17011.63 12005.02 Nap-Asn-OH 3456.67 2394.12 791.8 2054.42 3297.44 4700.8 2682.93 8218.73 2741.67 1744.88 6608.95 2260.81 3573.76 4012.21 3183.51 3140.47 2002.76 4089.15 2611.51 586 2562.21 1423.13 1033.49 1460.17 4088.04 5066 4358.18 10007.63 4307.33 5150.23 1601.27 4822.73 1292.64 8407.96 18373.2 3514.45 3980.19 666.01 2739.89 10398.79 1310.6 1615.35 4980.04 3528.55 2852.99 4337.26 3138.71 3079.4 4532.67 2021.56 7618.02 2631.12 16537.05 17000.96 10945.63 3263.56 4482.61 8256.08 1277.96 2054.52 3845.67 3441.9 4814.19 23383.23 5368.55 2625.01 1399.77 1258.65 3275.19 3673.86 5843.09 1331.25 4932.95 18323.7 5208.42 6216.28 4859.17 5810.66 5252.97 5942.84 4926.52 5556.68 6247.61 6066.64 Arillatose B 1880.74 3492.85 645.61 1313.79 6053.06 3009.06 1017.42 1915.61 3232.67 412.2 967.95 3050.7 3142.08 2120.47 6205.85 3427.08 2666.6 3441.92 3381.06 4989.82 4494.22 1488.18 1030.67 1224.88 2071.68 1140.61 1265.07 1594.26 8386.51 2456.85 2951 327.79 1381.9 290.31 3225.27 2475.37 6077.68 510.29 587.31 4173.76 3368.58 2894.63 3127.84 2138.06 1141.43 709.81 4275.61 1052.43 1061.35 829.59 5568.82 702.65 1301.69 4710.33 5327.4 3099.11 1158.82 4945.5 5827.52 1711.59 1299.96 383.96 3296.74 7715.84 1462.26 3249.99 719.91 877.92 2280.45 1120.32 1879.04 1973.28 1718.43 5434.51 1107.1 3961.21 3166.33 4087.42 3813.18 4072.11 3141.93 3921.93 3640.34 4075.66 Ala-Thr-Val-Glu 1975.55 1884.33 1161.62 2270.61 1287.39 8957.31 2139.76 2880.28 899.87 3641.04 2558.78 3150.95 2756.51 3751.24 2366.12 2895.04 2184.38 1030.96 1883.97 1298.88 1790.73 842.8 543.18 3127.49 789 378.03 419.29 1880.45 519.69 849.5 907.54 2742.88 1224.4 1473.6 1762.49 1371.14 960.9 764.23 606.47 1262.85 1155.25 2985.84 1154.98 2672.75 829.61 3428.55 859.13 2194.68 475.24 3830.74 2806.59 1031.04 1062.04 569.35 1766.63 602.85 1155.05 411.3 2183.61 1916.88 2668.22 889.01 2717.64 888.03 1858.7 496.23 4376.67 1591.76 928.43 1295.02 2330.86 2344.44 1048.31 2115.37 3417.02 2068.71 2133.42 2210.75 2151.85 1521.3 2132.03 1936.53 2082.15 1906.73 16-phenoxy tetranor PGF2 cyclopropyl methyl amide 478.01 516.89 1820.71 1709.34 945.23 9407.45 1648.09 460.59 739.2 929.59 979.13 355.65 387.47 619.09 877.3 593.81 1202.81 3046.89 474.76 2074.27 605.98 6352.84 234.88 301.62 586.44 365.28 791.94 440.56 1046.37 794.81 2730.07 431.45 362.46 435.27 349.3 370.69 628.07 1286.9 744.9 832.48 4497.11 624.52 290.95 651.94 3661.28 596.64 343.25 1909.12 727.82 1039.23 239.82 557.39 469.65 1174.07 522.06 787.06 1180.78 1847.09 485.58 1819.34 425.11 759.43 689.65 676.92 328.15 439.46 589.89 1479.26 403.95 252.1 750.73 1281.05 419.47 1288.02 743.88 2183.01 2359.91 2112.85 1958.74 2084.64 2175.12 2064.59 2102.85 2186.6 Ser-Leu-Asn-Arg 42720.55 40916.95 41391.2 29114.19 75452.86 167286.47 37646.28 31680.86 53530.09 35838.93 926.63 38105.33 63848.64 39023.91 122164.37 26736.06 36463.36 100681.99 16908.69 46555.95 26970.52 46712.49 3204.69 13684.72 24995.42 25303.5 10676.21 4263.82 47214.14 14164.93 15580.27 3205.19 12642.99 16087.4 14906.32 21607.12 37168.38 14756.26 5533.74 10866.47 16913.65 49023.57 18856.29 11693.95 43314.35 20295.72 28488.67 15313.17 10488.67 54756.78 38602.91 86571.13 34896.29 33531.36 72004.29 119324.18 55100.87 42730.44 56286.49 38634.78 27072.23 34371.4 101094.22 35562.7 26400.06 57921.61 1864.18 13486.19 9414.8 42062.04 22138.85 19446.36 25928.04 47588.02 39727.81 48251.35 48820.55 49497.4 48818.46 48456.31 46183.03 48284.53 48786.3 48808.14 Asn-Ile-Thr-Glu 204.43 413.18 3100.46 1753.35 686.46 12430.95 1064.22 1218.58 408.11 678.18 1409.74 820.77 2542.43 1488.38 1322.1 196.11 172.58 929.27 1460.25 402.73 544.95 7893.11 872.82 205.9 584.86 196.29 1348.78 237.5 323.57 1251.16 602.06 183.52 367.89 483.67 613.34 810.33 531.62 2016.09 1028.8 657.76 371.48 228.68 1059.28 301.56 1221.74 415.4 1421.98 927.48 363.11 381.56 791.8 1128.39 1613.69 568.99 971.19 1552.59 1184.45 2079.02 678.32 8511.29 371.79 1012.49 234.43 231.1 1075.79 282.63 344.64 375.69 1129.85 743.76 450.98 579.22 1068.24 345.22 238.7 2593.9 2246.2 2394.76 2317.8 2319.35 2370.65 2307.34 2400.02 2392.52 5Androstan-3ol-17-one sulfate 13201.94 2292.41 554.97 522.13 83076.8 260368.19 5663.19 65078.03 62111.93 6113.95 595.31 37735.98 28521.12 25033.18 62779.19 7558.01 918.37 10543.14 1721.93 37698.76 42014.24 21664.12 3167.26 606.67 28707.1 60097.18 1126.11 565.18 8756.76 21301.98 39495.07 75347.7 25526.55 850.26 5305.11 31930.89 8181.67 9618.47 365 291.05 87663.68 71478.02 801.9 1034.21 115426.7 1409.38 12633.08 11166.82 3362.9 38635.04 63121.22 45739.75 1178.77 24895.16 86451.13 32258.16 4715.24 345.44 112374.68 56386.3 1005.55 1300.51 58094.3 1944.83 16529.36 36368.15 28460.26 428.31 279.12 16388.96 17581.21 747.23 1840.87 2387.65 1586.64 43764.4 43755.97 43913.39 43732.43 45471.01 44526.17 45063.11 45140.56 45082.91 Phe-Abu-OH 5628.64 1752.96 1339.54 1733.84 8812.85 2591.59 2820.17 9668.75 6473.51 8342.49 1601.24 20326.65 2409.47 3597.59 12809.2 8076.21 2616.51 15910.39 11385.37 10189.98 1347.75 1443.6 1614.13 2555.18 7246.75 3906 3247.09 1651.35 14660.54 1818.51 1891.41 8472.18 1986.15 479.09 2024.77 11302.36 6246.49 871.06 2431.6 2146.45 7349.85 14491.39 2182.23 2896.91 7756.04 2422.46 16712.08 9872.76 9092.36 5621.72 7646.66 1137.44 1472.93 3150.86 12927.91 921.92 984.79 1034.51 11372.48 1867.14 1927.89 2431.27 2409.09 4122.75 3124.56 9840.94 4264.14 6984.04 7417.3 16303.99 15141.35 5917.62 5992.32 2853.4 5264.73 8167.1 7440.24 3101.27 9409.43 8161.94 8111.26 8335.86 7285.85 7307.29 Ile-Ser-Thr-Glu 3508.66 1657.67 742.42 640.25 5929.51 862.14 1672.39 10997.59 12858.78 1875.92 1095.48 3825.83 590.55 1420.39 4923.44 2202.08 417.45 3233.05 3765.66 10883.26 4741.22 584.06 417.57 401.68 3746.72 1349.25 598.96 2054.1 3419.16 1783.62 3636.65 1415.87 1082.97 940.97 816.96 3511.7 3632.82 417.07 868.78 798.37 4515.43 9750.23 675.35 504.81 5798.29 1093.86 10291.13 2164.79 2212.53 723.9 3349.62 1205.32 423.48 321.31 6937.91 3094.79 628.26 756.2 5586.9 1854.8 1030.95 965.49 3679.5 1838.5 1990.02 4402.91 3938.61 1670.21 1515.11 1599.99 5729.34 1335.28 1673.84 326.86 896.27 3482.95 3156.23 3420.89 3111.42 3217.43 3787.24 3188.25 2752.54 3447.86 Ser-Leu-Val-Glu 8624.28 2867.4 2787.09 405.42 20995.23 3218.25 1416.85 10752.5 8545.94 3716.13 7752.26 3303.06 6946.64 10728.31 6237.08 16867.95 26959.85 2478.72 18315.22 21044.5 6324.2 2450.35 4678.01 2537.06 4011.16 3685.56 1247.18 1721.02 8791.93 19034.47 4622.39 12381.77 3650.51 1518.48 2610.12 3004.51 2537.57 972.27 3110.18 2231.76 5017.58 756.38 5169.75 3973.09 2930.07 3813.79 7033.18 10411.25 6369.12 12219.71 8633.5 15435.28 10299.85 7359.07 1448.48 805.07 3968.94 3031.36 1723.43 796.32 7595.77 2199.55 6223.63 11034.88 12606.94 877.75 505.15 1228.48 3701.01 12204.47 13895.51 965.81 8727.78 904.98 1277.21 6194.48 6204.57 5866.2 6498.75 6445.7 6232.71 6457.41 6320.6 6417.38 TyrMe-Val-OH 9912.96 9223.73 8848.52 18534.94 10045.78 7351.44 15047.68 10499.13 11576.06 12605.33 9708.58 6700.16 15349.24 7234.48 11219.43 15468.74 12338.75 8901.9 18624.51 8019.86 4955.23 6287.21 7330.35 7624.16 6255.58 5812.87 5178.54 6041.42 2986.93 8790 3495.29 590.33 6780.86 6596.59 8475.11 5185.08 8203.65 3522.07 10176.09 6737.52 5501.29 6705.49 7760.44 13883.04 7914.09 14050.59 13690.12 5134.99 6673.03 3608.6 6451.71 6462.33 10195.61 3169.56 9899.03 9306.98 7706.61 10961.55 12023.03 11149.03 12339.23 9420.25 12994.92 12021.48 10508.02 2423.39 8025.89 11243.07 10720.19 10756.47 10503.32 14819.41 9654.52 15774.8 10736.22 11360.26 11476.99 11157.62 11452.19 11461.05 10995.13 11162.81 11431.49 11449.04 Angiotensin I/II (107) 20581.5 9270.93 2428.94 1312.77 21444.93 11403.98 1594.11 35998.8 30731.04 24736.25 12626.2 31789.76 18243.68 13743.61 27238.42 27374.69 7258.53 27467.34 58077.04 36771.39 27524.27 9114.3 10118.02 4226.91 18991.37 11739.27 4354.69 10053.84 36264.45 24745.83 16881.04 47092.47 10529.3 5939.49 2048.89 18674.61 23208.3 974.79 7729.09 3210.78 22386.61 35719.44 7458.13 9409.66 49684.1 10646.96 27741.75 12682.71 33767.39 35208.51 31973.74 10601.25 9248.73 5468.6 27084.99 9205.79 1019.59 1517.03 25724.9 5348.4 6749.7 7138.02 14577.63 9724.6 13874.07 26808.53 14995.26 18681.73 14861.05 23588.21 17435.83 36473.48 15441.38 9701.36 10024.12 25961.72 25964.51 26021.12 26032.73 24329.66 25308.62 25530.13 25986.64 25071.15 1-heptadecanoyl-sn-glycerol 3-phosphate 967.37 1162.91 5889.89 2460.71 1785.79 609.6 3638.58 1769.4 980.35 731.46 5179.43 1594.43 574.52 9753.47 1604.46 4398.55 885 8597.52 1600.66 987.18 3479.16 645.05 5455.57 7860.31 2368.37 1597.45 617.8 2455.08 1055.63 1740.03 1519.55 1224.65 1067.33 692.19 3870.02 384.85 4490.65 685.89 9941.45 1784.64 1315.44 1833.49 8313.01 6775.95 419.69 3233.77 1489.06 912.04 2594.91 2760.75 3422.12 5962.06 8045.15 3509.56 8010.42 2285.52 6447.76 9657.31 1413 758.4 17619.5 11352.08 12609 17882.33 4501.09 871.09 1496.61 2101.94 2333.39 2345.73 1494.38 967.49 9351.04 4171.62 13523.68 3601.56 3734.14 4011.79 3513.42 2561.19 2828.75 3587.06 3167.08 3525.98 3,16-DIDEOXYMEXICANOLIDE-3-DIOL 66158.55 214024.78 97748.53 323557.47 92293.75 113317.51 74992.48 96855.17 168865.51 17535.01 123382.13 95189.87 100849.25 7833.82 47821.21 619229.45 414808.58 155570.47 195290.65 4653.61 35719.36 10416.39 2689.41 2483.23 25245.12 53679.21 4792.48 44619.28 19098.16 1192.54 2504.63 16804.95 31381.75 4091.29 134561.49 3002.27 83148.91 19504.7 42768.98 31911.43 9178.92 5060.19 193141.97 85394.28 154634.33 67291.56 12690.83 10332.04 4832.75 12718.51 4788.47 13459.48 125254.11 20606.77 160232.13 17311.34 111876.52 141134.91 139007.56 18522.5 562353.36 88188.97 297644.42 662094.62 207590.51 19754.82 17648.41 11717.51 112676.57 133440.21 142865.35 122303.74 97396.56 609964.81 99166.32 6725.29 7719.79 6644.48 6340.15 7007.33 4954.84 6106.07 5711.32 5091.52 3684.8 3706.41 4014.26 4604.21 5417.44 3483.72 6836.86 1292.77 5675.62 12117.89 5754.23 5857.92 8661.84 5407.65 4486.46 118650.82 110615.29 118627.08 115903.62 118664.47 121670.02 119756.38 121254.34 122071.76 Thr-Ile-Gln-Asp 10224.52 4470.26 1979.34 1527.44 717.44 4907.46 20075.02 2281.77 2137.18 7160.21 3455.2 3150.83 2758.95 3644.41 5891.09 3287.22 2344.36 3312.28 6127.03 1523.53 3817.07 1554.93 709.86 406.96 2423.88 6346.64 1225.87 2520.11 1413.03 341.95 1583.03 4213.4 299 30681.91 3444.85 1057.72 3830.34 10391.71 3458.6 2043.38 8393.94 7793.6 3705.93 4020.89 4572.86 1981.65 8208.26 1747.92 724.14 2093.25 1616.97 2734.52 2283.34 448.68 1347.44 433.45 1976.76 404.1 3619.43 704.6 1455.1 5595.05 4758.1 2799.02 374.5 4791.31 6874.7 5174.75 378.77 1730.97 2492.44 32565.23 421.7 3097.78 4122.52 5501.37 5669.33 5682.68 5622.05 5410.28 6042.2 5680.34 5243.61 6365.5 Val-Leu-Ser-Asp 6141.09 12743.17 1747.99 1374.9 7674.07 16742.47 10558.48 12425.56 1047.19 17900.53 5276.32 11428.09 7028.57 9853.74 18102.98 11814.05 6046.08 15378.21 15555.4 1392.72 3835.03 11515.48 3569.47 1409.15 9310.88 18461.12 5695.31 7074.16 10932.87 2050.58 1569.5 7548.25 11030.76 345.82 5059.89 13502.88 4049.7 2886.2 2267.96 477.89 1553.93 10214.2 4437.67 3080.76 1577.06 1221.19 1783.81 7409.5 2881.58 9049.26 7723.04 6600.28 827.19 3003.73 10090.19 15251.1 1311.64 2761.59 16492.32 15222.62 3087.25 6992.34 14258.42 2978.16 7361.02 4262.66 1999.78 11973.58 2536.62 29724.24 9889.67 15400.42 1645.41 9411.27 9856.74 15581.34 15618.22 15602.96 16072.06 16025.71 15647.46 16055.25 15584.9 15647.79 Ile-Phe-Asp-Arg 1028.99 1110.52 1430.84 3240.26 3172.38 756.37 4393.82 4770.97 4829.35 1857.04 2933.37 4061.66 2255.64 2900.46 5593.61 4888.29 3279.79 6392.55 4523.98 4534.1 2640.99 968.9 3184.5 1628.06 2309.38 4774.82 346.47 527.2 3152.98 2157.84 1986.66 2606.8 1158.1 2009.88 1179.97 2676.49 996.08 657.41 1374.84 448.85 6186.73 5169.51 3134.93 1923.29 6559.2 3273.79 7745.81 4767.53 1815.65 2540.36 1327.31 1939.04 3435.11 2166.52 2857.71 2891.08 1373.75 1283.53 4602.68 1249.21 832.79 1442.97 4132.34 3360.33 1310.97 2803.45 4923.46 672.37 3708.1 2665.16 4501.62 1653.87 2145.5 2584.17 4965.67 5055.42 4945.62 4548.29 5528.14 4336.79 4758.08 5014.35 3650.91 4718.17 3-hydroxyandrost-5-en-17-one sulfate 9815.78 9473.33 2286.93 4732.89 1130.37 4008.38 5359.49 11747.46 9474.87 9826.92 4046.65 5849.42 7267.79 6389.47 14085.98 4564.76 3652.33 24302.08 14019.38 36854.03 9162.96 9664.5 3496.01 2829.04 1374.04 7742.23 2037.94 2786.47 14279.76 922.02 9359.12 5151.91 6062.97 3821.75 761.94 9567.92 8443.29 1049.74 786.66 2526.77 13191.93 18689.48 8182.14 3551.93 25714.32 8596.7 22799.13 6118.64 3372.84 5062.11 4674.63 12097.81 5201.33 4280.59 9845.23 7646.86 2064.84 5120.58 12552.91 3270.81 7821.55 2831.67 11236.88 10461.2 7731.55 4943.3 11552.33 4703.49 6666.09 6870.53 11579.68 7083.95 9502.87 9412.92 5335.71 11362.51 11697.36 10965.36 11367.91 10966.13 11205.11 11099.77 10983.24 10548.12 (2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylpropanoate 2903.71 2192.97 1289.11 653.59 611.3 2621.6 3151.66 2219.5 596.81 416.79 1773.37 3260.41 1321.19 2562.39 2522.81 2787.65 3325.73 2554.58 2172.33 2118.63 2212.99 1726.74 1842.23 1947.79 1706.52 382.63 1885.97 1729.95 2051.59 1300.79 2417.7 1457.67 1950.68 699.55 2968.8 1227.56 849.14 1266.95 3812 2622.58 519.61 1859.86 963.85 9360.11 3527.69 3019.05 2854.72 2091.33 495.69 647.17 2452.06 5243.82 3187.54 2251.71 5706.06 4033.81 24647.68 7107.91 2041.37 427.99 11731.32 4673.98 4933.5 5042.39 3187.39 2084.46 999.18 2192.12 2318.75 4107.57 2865.45 503.04 7123.1 2771.17 3349.61 4472.45 3777.15 4462.15 4472.11 4404.5 4458.53 4455.06 4863.62 4308.66 Thr-Lys-Asn-Glu 5007.37 7279.01 419.69 2162.48 24365.24 3780.89 7263.05 16356.81 3576.61 23228.37 4309.53 19851.18 5435.45 11257.16 2751.19 21629.4 9079.57 21997 34820.41 8798.04 1842.48 12681.75 2037.81 2141.78 9964.89 17661.03 1150.76 4805.05 13529.39 793.5 1379.36 29830.59 9652.24 1034.16 627.93 14446 2008.5 1681.58 542.25 954.49 803.93 5969.43 2490.5 5223.71 5785.3 5343.57 2631.49 8515.05 7917.06 19924.33 5340.46 4728.47 2480.09 2759.87 15563.45 12166.06 550.64 1340.5 28761.84 18358.22 2681.05 8766.5 9058.12 2030.34 6267.42 4247.29 1838.12 10968.45 3428.58 13822.57 6620.37 11983 3309.65 6991.36 10566.57 18735.5 18542.53 18061.91 18750.9 16723.22 18551.47 18796.26 20175.65 17977.83 4-hydroxy Nonenal Glutathione-d3 4138.14 3799.83 3270.3 752.67 908.98 2029.34 3820.67 3185.92 2233.69 9426.22 807.53 1248.88 2580.23 4065.08 1364.52 1206.19 674.16 2779.66 3418.23 2522.45 5044.63 1892.25 3639.85 2059.19 2860.72 4569.91 576.6 2589.12 5101.35 2140.71 5019.42 2368.09 2291.21 7668.2 973.45 4142.92 2454.8 387.23 590.09 943.41 3263.45 3036.28 1814.36 3481.4 3358.18 1360.12 3207.73 1246.45 2224.42 3001.88 4236.77 21190.95 3271.65 725.77 4773.4 1187.27 367.81 1855.91 4526.51 606.99 2897.52 10770.02 2982.48 2925.61 3418.2 2934.62 2337.17 1542.5 1357.46 2427.38 2274.55 14201.43 2976.33 910.38 779.22 5118.12 5246.19 4992.17 5116.17 4791.63 4811.32 5158.29 4800.51 4841.71 Phe-Asn-Ile-Glu 16906.13 16234.08 7747.12 4716.05 5488.33 4526.46 1344.89 19894.52 16658.92 17613 16529.72 12807.81 8025.26 14128.59 10910.44 12531.72 6925.31 3860.47 8124.35 10244.14 13910.36 19946.28 12927.7 17379.5 13616.26 15838.59 18084.99 11841.89 16059.19 9076.96 3863.63 10153.33 10540.22 12948.58 10926.97 13640.57 16684.09 8503.14 12085.01 9244.47 8054.95 17660.6 13003.73 15264.3 11165.79 9986.24 16633.43 14230.26 7976.14 8106.71 13056.07 19256.68 18193.81 12681.53 13314.51 16019.68 6737.43 6909.24 13991.58 19496.43 14081.58 15274.51 14458.92 17360.86 11561.7 17403.96 13773.68 16651.5 10553.7 14259.33 20021.32 16673.68 17530.01 14448.64 16021.88 12215.04 11462.52 11101.58 11532.04 12045.32 12325.96 12110.11 11597.7 12562.44 17-trifluoromethylphenyl-13,14-dihydro trinor PGF2 18232.38 25387.71 9523.31 9326.02 19447.66 11117.18 4940.41 18829.92 19644.53 9212.47 20386.07 21349.51 20290.05 34877.34 28631.29 16889.57 18814.39 25089.65 45590.94 22326.04 27842.97 15813.39 31115.96 18638.19 23950.39 23864.97 21457.27 12919.65 21836.1 3675.63 4823.48 19930.98 20990.75 31748.97 20560.82 44719.82 34957.67 14704.15 22330.44 12374.88 13155.19 17482.11 24761.23 16987.94 32213.53 3639.52 24403.57 38552.53 21272.17 20311.58 55135.09 20314.15 65395.12 26560.57 52599.59 20430.29 22007.73 4309.02 29258.31 33348.24 57488.32 45732.47 35578.04 35186.08 19685.05 29703.94 6791.19 9180.51 5303.25 61239.2 25730.16 18886.57 34291.37 16834.39 13317.42 20801.56 20603.49 21902.62 21776.07 22016.03 20564.39 20754.9 22165.25 19118.47 Phe-Val-His-Arg 5199.47 6190.22 6390.07 880.48 4180.97 812.11 2548.28 7643.98 5680.26 9760.51 14166.14 24950.52 6027.93 17929.45 2961.14 10621.08 9713.81 6160.25 35462.96 6159.96 7608.06 4517.35 11804.98 8673.74 4057.35 3030.87 2747.18 8180.66 4087.07 29283.12 3257.22 20191.78 4930.72 7743.6 7074.98 4088.08 4660.85 1058.35 13871.88 5806.55 4772.03 6998.42 16585.85 7406.01 13545.51 4912.16 6398.95 19465.04 14324.03 18797.69 4204.78 4754.58 14708.4 6766.97 4052.54 7031.17 2031.88 9720.29 6152.89 1379.27 13193.19 10476.59 4008 18135.69 18359.62 1778.41 7573.07 13514.17 14041.8 9399.1 4652.33 13447.35 11146.36 13413.6 9901.68 9924.14 10236.69 10290.38 9261.07 9882.04 10647.8 10118.27 9913.11 11428.28 4-hydroxy Nonenal Mercapturic Acid-d3 3324.76 5627.03 5228.6 6197.4 5948.62 33768.29 8665.49 5452.08 6239.01 7697.02 9849.92 8062.5 7261.47 7581.71 7888.24 9455.35 5031.94 4823.77 15852.07 7472.54 1559.63 5223.47 5799.1 3697.18 2325.37 3781.92 1731.43 3483.86 3231.73 4965.94 3240.41 4972.69 3982.24 4110.75 6742.8 2573.64 1188.38 1556.23 5629.44 3057.88 5061.88 5312.82 10144.86 12325.9 9241.06 8081.62 6521.65 10056.11 3252.7 9956.12 2329.22 2439.46 9095.49 4509.54 3806.1 5441.91 4708.86 8928.58 4915.67 5812.05 6681.72 7004.78 5704.03 9572.86 15777.36 5278.64 4948.71 6660.95 7128.42 4782.51 5308.39 11964.33 8100.25 8172.23 10062.49 8016.19 8865.87 9604.21 8833.59 8855.56 8388.65 8417.81 8648.03 8851.29 Celestrol methyl ester 616.09 142.84 1710.02 1050.85 145.52 373.8 2957.97 735.42 461.87 177.39 582.64 654.39 176.5 631.72 275.91 350.78 1735.46 323.88 111.39 829.73 199.95 388.04 89.04 290.83 335.74 421.37 260.53 230.91 153.96 266.58 172.62 261.97 178.85 341.63 495.42 205.47 322.76 236.42 368.8 247.17 800.45 523.98 566.31 634.07 489.22 410.63 581.22 161.01 545.39 407.33 1238.61 201.8 430.66 438.39 1380.7 570.21 510.22 538.61 295.44 471.81 197.2 772.29 210.99 609.6 668.28 126.38 1219.13 488.22 353.64 323.7 585.13 425.51 380.09 2534.45 202.6 2524.12 2401.52 2504.74 2364.42 2344.77 2359.76 2538.66 2505.84 2347.85 N-[(2-Hydroxy-1-hydroxymethyl)ethyl]-9alpha,11alpha,15R-trihydroxy-16-(3-trifluoromethyl)phenoxy)-17,18,19,20-tetranorprosta-5Z,13E-dien-1-amide 1095.55 574.87 1265.99 1182.2 1176.85 538.48 540.85 1619.69 4087.7 1604.61 1581.63 4056.32 1384.5 503.06 3069.43 1130.58 846.56 2042.98 2780.24 1701.89 2691.83 732.54 307.31 285.73 1837.28 525.31 565.43 553.09 3342.27 1684.74 919.63 4648.18 1064.89 563.83 512.58 1936.6 2164.04 617.23 2006.58 742.25 2086.99 1249.69 1000.85 477.29 833.86 1183.17 416.73 401.31 448.49 1296 1467.8 390.26 510.67 1039.23 3999.77 966.98 615.7 577.84 3387.18 707.19 867.35 879.4 1380.76 1428.29 1412.14 1192.57 1437.74 420.77 694.87 2393 1396.07 1085.28 1211.62 1448.92 876.74 854.4 3739.71 4257.56 10467.34 2503.16 2792.35 3707.67 1116.83 1208.82 5252.78 1782.45 2121.91 1662.83 1816.56 2717.26 1184.52 5448.5 3480.14 757.55 4627.43 2910.83 5943.89 3128.87 4362.77 2659.69 2236.11 1591.13 1863.99 2205.77 2258.41 1664.06 1986.26 1808.88 2196.29 Thr-Asp-Lys-Arg 5509.66 10585.75 7717.48 6446.28 2268.46 14148.85 7710.47 877.55 6789.7 8669.07 5755.77 5858.4 13459.41 5419.27 14385.04 10937.26 10078.27 21157.15 16336.64 15858.73 1432.92 10214.9 4818.85 3376.23 3788.56 4477.19 4557.63 6602.42 12274.74 7838.61 4701.09 11083.24 6928.61 7552.44 4938.28 2450.98 4909.25 5328.97 6159.2 4269.09 11113.97 1139.41 13655.5 11095.47 10102.61 12786.24 11796.81 8954.93 9862.86 11135.34 3796.91 14364.6 8525.06 8063.44 3051.38 13358.07 3562.06 4812.7 14516.53 13804.99 5004.33 9562.04 2499.63 14887.98 7105.04 2914.07 4181.41 7396.82 8571.59 7156.6 8599.99 8521.48 10766.3 24539.19 9330.87 10648.15 10291.42 8772.77 10615.95 10408.88 10586.75 10128.72 10292.81 10112.28 Arg-Ala-Leu-Lys 4835 4973.9 3500.92 5037.2 3213.12 3709.86 783.1 7591.23 11868.66 14698.44 4063.36 1539.67 8807.59 6548.95 5432.83 3219.09 6784.64 3286.43 4547.34 3559.49 5229.62 4474.37 4207.49 1552.22 1027.33 5443.29 4081.31 1867.07 2024.19 3340.15 1853.17 3433.27 5160.97 3237.63 1024.37 5737.71 1661.79 2390.25 2954.24 4902.3 2657.95 3406.45 5706.32 4118 1775.11 4470.23 2887.1 1838.96 4291.02 2835.49 8425.95 7675.83 4715.99 1666.56 4030.07 7663.28 5720.11 1115.3 7358.28 3007.59 6932.92 12679.45 4753.91 3679.2 3360.46 4518.4 4401.31 1770.49 1590.19 3020.62 4741.02 5212.46 1853.27 3275.25 2207.95 3020.42 2474.84 3023.84 3032.11 2858.63 3049.42 2871.63 2815.04 3162.49 PGF2 diethyl amide 5664.18 3553.63 1633.13 558.5 3902.61 2528.41 9458.36 6488.45 8100.27 2066.83 4022.29 2038.77 15495.23 486.21 7052.83 2663.28 1163.01 5795.95 3688.15 3137.24 14391.54 2264.98 1215.86 714.9 1557.84 2361.9 991.6 2173.64 4078.1 1364.14 1458.54 4710.17 2808.83 898.97 864.25 7086.18 3223.14 1386.5 964.87 1637.29 2774.18 10974.07 2196.89 565.48 7265.8 16120.76 12098.18 10822.88 5803.27 548.93 6733.79 3966.4 1806.36 4689.09 7509.85 6174.19 1797.19 2117.84 1258.65 3870.25 813.46 2178.31 7578.38 1882.6 1494.28 6259.13 6295.01 541.56 444.23 4553.36 3927.31 540.89 3069.61 3110.36 11041.12 4712.95 4388.85 4588.94 4583.8 4362.02 4539.24 4572.86 4571.12 4598.64 Thr-Val-Asp-Lys 6463.63 4352.51 721.25 1888.57 11193.33 9042.53 8471.34 11805.09 19841.2 8221.82 5436.9 10972.6 2512.92 1379.26 8555.3 8112.9 1428.65 3652.36 10882.9 15335.86 8900.45 3723.67 3764.49 672.1 5152.67 3078.52 2729.96 4147.84 6291.74 4800.89 1124.53 7282.69 5211.28 2831 2222.19 4571.74 6257.54 1264.27 4035.08 1909.73 13148.75 12226.68 3199.63 3209.33 13497.75 7694.03 10605.95 4921.25 3398.62 6337.98 5678.06 3991.63 1984.66 1533.11 5299.31 2158.91 1144.18 811.5 8443.91 1776.69 1069.76 2609.47 4955.14 4347.15 5770.37 9196.53 18218.38 4579.55 5083.91 8285.36 9749.52 11053.89 5102.77 2656.47 4863.52 8429.19 8545.94 9213.99 8363.94 7914.49 8500.48 8541.58 8515.35 8549.45 N-(3-amino-3-oxopropyl)-5-(dithiolan-3-yl)pentanamide 7109.23 7163.3 18050.45 11153.45 7580.82 6575.39 15716.99 10068.47 10224.98 5168.06 2884.34 9794.83 2749.66 2853.86 8040.61 6603.22 2433.62 7304.53 4876.89 3536.21 7480.25 8744.96 3280.15 3740.93 3457.57 1023.51 981.85 1486.02 4262.42 692.77 6913.37 1990.42 4215.29 5066.33 1573.04 1800.58 4967.72 2824.08 9764.3 4852.52 4928.24 3484.86 6350.48 2446.56 1701.95 7798.35 13359.08 6903.04 4364.26 1042.56 7265.47 9820.12 6206.26 6680.57 9151.98 7135.72 9364.63 8682.03 7805.17 5753.58 4631.15 13211.76 6485.97 9321.78 3326.61 14611 6130.83 3390.61 6926.3 10643.52 8637.54 2088.41 8253.2 9769.81 12687.85 8232.58 8296.28 9000.76 8328.43 8013.21 8408.14 7854.11 7848.47 8340.9 PtdIns-(4)-P1(1,2-dioctanoyl) 25120.83 3181.99 1593.94 2991.16 4858.61 3391.04 1294.68 20748.07 16681.84 2923.08 4268.63 8043.24 550.55 1565.94 17415.55 7561.15 1710.95 8923.35 7572.33 5001.36 21903.25 496.89 2333.17 2067.29 11608.16 4114.14 1425.13 2720.92 33672.5 12460.42 8071.91 9611.98 5143.92 2128.65 1949.13 17070.83 19986.1 1940.02 1504.6 838.76 12068.15 27421.28 4382.06 3471.51 8850.24 1550.38 12381.15 7375.93 15713.43 4662.31 12535.14 1471.89 461.55 919.75 21033.15 1491.1 1528.48 1174.38 14756.41 397.38 2419.39 439.23 1379.86 8472.51 12084.53 14776.43 7973.93 6080.69 11805.23 25405.98 13168.57 9445.92 19604.65 2877.13 1579.61 8599.97 8288.17 8169.26 8468.13 8182.13 8630.12 8651.7 8270.44 8728.78 Asp-Abu-OH 59745.24 20894.16 7183.69 12252.66 37630.95 2262.97 17583.5 102737.44 96566.06 37602.94 21509.85 38097.29 9400.45 13570.23 63251.8 40167.94 24551.96 53345.41 30106.28 151737.5 38583.39 630.04 3165.44 17237.5 17554.52 32512.14 14544.46 23570.52 39446.41 13086.1 44876.96 24518.75 22309.12 7372.66 8441.36 29407.72 54335.76 4440.35 12477.69 3960.45 43908.81 26850.27 13439.28 31794.58 36832.42 1426.21 114222.43 31785.58 29911.84 52516.15 6309.84 15882.58 15349.09 16674.77 10839.49 22309.82 6986.63 9142.43 38902.76 10855.55 20082.22 11798 43712.23 25469.8 30601.58 34634.25 42205.45 18806.64 50264.51 73464.94 95956.46 47295.27 70349.51 20066.83 22147.42 41793.59 41793.55 41271.42 42133.8 41791.62 41044.59 41544.81 38711.97 41803.88 Thr-Arg-Tyr-Asp 2526.51 7296.88 15803.47 8927.24 4253.54 8777.37 2242.45 10435.67 3121.65 23395.07 39175.25 2735.87 7740.96 11542.61 17717.04 27551.13 54218.94 10389.77 16052.41 4743.35 5624.23 12743.75 6572.44 6387.12 4181.97 13002.03 9483.93 3969.46 18758.34 3230.77 1433.79 1096.84 14906.42 9716.64 11557.25 4519.17 2584.6 7261.12 7491.12 6404.99 4163.15 9702.87 15375.82 17988.86 4832.8 6920.36 31190.07 20320.03 17852.21 7115.62 12933.73 19919.31 11227.39 13460.76 7380.92 8205.04 16189.71 7638.58 9264.29 9407.64 17680.77 13939.76 4401.5 17607.41 16625.69 10312.9 2841.62 20835.87 16731.78 2344.78 6737.13 25458.94 12069.64 25233.03 12225.29 13856.15 13741.12 13460.26 10563.45 14347.64 13469.53 14334.98 13551.43 14550.4 Asp-Lys-Thr-Glu 3292.67 1931.78 480.13 508.69 9550.62 1323.65 715.65 4492.45 1134.7 11202.41 1267.98 8817.59 4960.32 5785.89 7839.32 9291.42 5024.22 8963.82 11806.01 644.36 729.93 5768.89 1639.9 1245.8 3498.12 8900.56 4161.15 1798.94 2868.4 3592.22 1361.62 16137.66 2764.4 2348.69 458.53 6291.17 2127.82 801.17 1193.73 995.1 593.63 3114.25 2578.49 2928.7 8072.81 3152.38 2455.18 1059.98 11522.44 5676.42 2410.75 2397.2 443.82 1150.67 5095.18 5504.88 1372.42 1258.32 9050.64 9639.69 1960.54 3142.44 4067.5 919.61 2350.4 4416.07 958.54 5475.31 2418.17 4858.87 2621.02 7610.17 956.54 2530.42 5857.43 6912.84 6856.63 6868.42 6575.92 7499.51 6729.41 6402.74 6126.62 6763.05 Ser-His-Ala-Lys 6777.31 17773.42 14796.37 18367.23 12194.65 3172.39 2796.56 21413.43 20733.03 11593.09 12324.77 20446.58 6864.18 14728.33 18831.44 15452.16 11572 23704.07 51754.9 15486.83 18842.27 9026.96 18566.79 9147.34 14169.6 7757.88 1673.23 2707.06 27875.16 10937.53 9097.82 26002.57 22448.5 15690.11 6968.01 15783.16 8190.71 2696.4 7211.94 4823.18 13621.4 11018.27 10556.94 6724.17 22624.28 9305.9 11021.18 5989.39 28149.47 49383.77 7890.73 27902.13 14001.58 18319.61 15159.98 18764.7 7223.65 7577.39 12460.72 3231.57 14379.76 3877.91 16710.11 10670.08 15533.63 11485.1 15984.88 11097.2 4386.38 13116.53 12466.96 8588.9 14577.33 14780 8325.65 14240.55 14225.24 13633.21 14228.91 14683.23 13678.19 15150.17 13754.42 12572.74 Ala-Ile-Asn-Glu 531.17 5292.64 2931.63 5324.92 3961.19 11942.61 4272.8 2040.97 1517.58 6958.74 1892.13 3201.48 5278.65 3294.6 1486.79 1403.62 974.62 1584.91 1569.35 2779.9 1138.64 3318.27 3885.8 1505.09 1074.4 3061.03 883.01 827.63 11602.12 1282.87 532.14 931.22 1303.54 4887.41 2689.69 330.21 591.46 659.11 2319.06 877.83 776.2 1560.77 2508.17 4002.24 866.53 4640.11 854.22 1771.65 10354.34 2318.4 520.21 9722.96 4009.75 3975.4 3236.78 5664.24 1944.01 3450.95 3331.89 386.17 3622.26 8725.99 3886.86 3192.09 689.48 3553 4091.65 8071.13 863.18 2512.13 639.94 8796.01 2364.26 5772.02 2590.38 6028.34 6047.46 5971.63 5863.51 5842.99 6232.15 6109.18 5155.94 5999.5 Abu-His-OH 2794.18 11817.06 4137.87 7970.99 16931.95 18025.27 8536.2 7003.9 9143.47 9404 10457.91 20786.62 10598.6 9394.65 29000.11 19473.14 6097.76 27454.82 16121.83 50027.01 5958.7 4964.63 5558.93 4057.05 6690.11 4313.32 4321.7 6491.48 17927.68 1854.93 14059.94 5957.12 7588.44 8611.43 7485.6 8009.34 2676.69 2182.88 7371.35 2331.27 35025.64 6525.68 7216.84 7852.07 55246.71 11314.15 29513.07 18432.28 3973.35 8836.07 5322.92 11654.96 5698.76 7011.23 5728.73 8769.28 2699.35 4249.81 19721.63 9165.11 4141.01 5169.57 10361.74 16425.79 7624.41 15892.22 27449.81 2752.29 3543.36 13972.4 9073.6 9823.34 4061.37 4434.35 8263.7 11777.18 14059.01 12053.98 13009.64 10699.58 10964.72 12574 12249.02 12562.4 Asp-Ala-Lys-Arg 69163.97 95117.73 206710.35 86059.06 56887.61 5971.23 29325.62 141255.46 137529.75 119263.14 106247.3 108910.81 69451.73 70625.98 144400.21 165673.32 234544.89 66973.7 65150.76 90436.58 227961.47 90647.38 239677.52 288481.97 256411.37 63209.95 114888.33 74283.67 286610.64 139977.45 54116.22 118390.04 240432.05 245535.85 226628.62 262682.96 144114.46 21858.28 119625.1 69211.88 49376.46 96730.15 231895.54 54663.36 98080.42 77083.17 177134.95 230442.18 228757.14 114866.59 91583.72 190566.29 216083.25 195384.85 184508.28 112532.88 225530.73 96318.71 159476.61 46235.18 144275.41 124163.88 213647.89 144141.12 205616.79 107900.5 38140.07 121860.73 61378.87 191698.18 108723.18 147416.67 145433.13 210576.65 133045.62 121291.49 122184.27 122189.45 117539.23 119548.84 122383.65 119815.88 119669.4 125087.38 Ala-Val-Asn-Asp 2719.6 1201.79 1684.87 2287.62 3330.38 1950.35 3462.15 6186.57 991.08 2318.18 2320.53 1653.31 3202.7 1267.78 4863.48 2336.84 2243.43 4199.3 5600.06 2496.21 4579.28 1708.24 487.89 1326.71 3963.37 1678.04 725.88 513.15 6449.09 1089.13 1241.09 1658.4 1027.05 2188.63 626.95 3263.29 2182.2 717.04 1632.97 894.19 2670.33 1035.37 2544.54 2262.12 3142.52 4914.4 5368.59 3269.71 626.47 2335.53 4850.44 1266.38 866.56 5971.08 1951.16 1115.25 1776.82 2458.35 2333.74 1721.96 780.75 4027.59 3047.23 3656.6 722.61 2071.76 2446.81 1591.08 641.7 2685.59 2588.15 3520.74 2443.24 2707.12 1888.4 1671.39 2473.3 2541.12 2556.64 1805.6 2291.22 2515.31 2377.84 2624.7 Thr-Ala-Val-Asp 24887.77 3642.59 1483.84 6216.76 24937.44 8756.05 8763.98 21989.42 22625.05 4509.14 7380.9 44760.56 38686.65 17599.74 15926.08 11280.91 4842.65 13226.58 27380.45 34140.38 16516.19 1415.44 4223.59 581.58 15351.75 7375.68 5654.22 4534.2 28405.22 22184.75 22753.1 8342.19 3800.04 3068.88 2350.01 6428.31 16547.31 1496.82 3462.19 18020.22 42179.22 31211.82 3952.14 19004.77 12704.73 12806.9 12711.54 7864.86 3763.41 17380.16 8604.37 13161.18 4780.68 6238.26 18809.74 10589.63 2719.53 2862.57 17823.48 3603.98 1621.95 1668.13 6740.2 3494.62 4740.52 42964.01 28560.59 6839.15 7843.89 36030.05 15640.18 11210.33 8645.77 2870.09 5289.62 15000.87 16741.39 16547.61 15174.35 14939.05 14938.28 15675.25 15018.09 12428.53 Ser-Asp-Thr-Glu 29757.7 11440 499.96 6453.26 32238.31 11292.65 13601.56 44332.97 43538.64 50693.9 4133.2 14243.51 584.66 22558.94 49513.19 20908.98 17731.28 54166.09 49524.09 86801.63 29037.06 9649.54 580.46 1848.54 37778.28 17439.04 3236.86 16606.92 40454.35 21654.47 43648.24 16155.4 19392.33 2258.77 5548.88 38594.35 41529.81 1516.12 10915.72 11438.5 38976.66 54118.77 6478.91 8594 22279.66 18897.09 56196.77 29164.92 24464.72 34637.84 26927.06 8490.45 626.19 2277.56 25244.56 33144.18 1168.4 4677.15 40480.65 890.25 1543.59 933.57 12447.97 13922.69 13489.49 20053.08 24059.44 358.6 17256.51 46763.87 47545.1 14738.61 44640.61 939.87 757.02 38997.39 62901.04 69692.04 68509.25 52743.6 51811.65 69448.54 40748.03 25622.52 47814.96 30706.65 35794.55 34546.98 42712.17 54941.2 29797.79 45661.33 71098.26 43186.53 48307.29 48650.74 44804.59 48437.04 47659.03 48402.47 38193.22 28591.4 29384.7 23925.95 30762.5 31071.3 31393.62 28615.15 28780.48 Leu-Pro-Val-Leu-Glu 2152.95 572.78 1000.08 2056.18 2803.34 3853.89 1172.58 5899.4 2538.87 1706.65 2788.51 6513.31 10798.94 2974.01 3158.05 3115.19 2853.7 5141.34 14882.36 2116.79 670.36 1333.7 2027.79 1383.85 620.19 577.87 858.44 692.52 493.58 690.82 692.07 2654.78 575.97 2766.4 702.48 6511.24 898.1 616.87 399.08 1653.36 1428.16 364.09 2379.28 663.81 6277.7 1839.6 442.49 4726.8 588.99 3882.7 1935.97 3412.65 8134.59 1848.52 2282.28 1005.64 3295.94 1664.18 4600.48 4049.34 6118.29 7104.62 494.12 3394.94 3552.86 1769.96 2258.38 736.05 1647.91 4223.25 2024.19 2704.28 3475.47 697.66 2208.8 2493.15 2768.35 2541.41 2686.96 2648.66 2390.48 2669.64 2986.28 2791.55 Deacetoxy(7)-7-oxokhivorinic acid 31180.26 24653.05 3876.67 19403.92 37178.82 36355.85 28823.2 52130.27 43121.91 36335.65 26332.72 36483.79 27503.85 26358.99 33882.12 25669.1 19493.94 57157.68 55478.63 30008.95 25129.46 12260.54 14041.81 14389.52 25171.47 23385.72 10753.6 23060.01 35770.19 10988.45 24485.52 31399.26 14627.07 10954.51 4337.77 30204.13 22224.31 4492.49 14215.9 13641.31 42906.27 46216.06 27017.86 19176.32 43932.49 39246.59 65274.49 31882.62 27092.04 52816.36 31764.42 26535.25 7692.02 22043.14 32772.3 9960.71 2346.43 9204.92 32446.42 12493.35 16408.02 14698.01 25126.41 15618.45 27447.44 44771.34 38482.76 16203.16 33344.89 30110.7 41519.81 36694.49 35691.97 28997.9 32179.74 37050.72 39700.94 37336.93 37527.67 37297.79 36861.65 37351.55 36769.74 37527.44 Lys-Leu-Arg-Asp 1912.23 895.72 963.89 1542.9 2321.11 1371.03 1783.26 383.87 2796.41 833.93 966.77 2016.7 1093.74 496.71 2292.03 1260.35 1353.4 701.72 2717.95 1845.6 1605.65 2098.58 1365.92 2048.76 2999.84 914.66 890.48 1963.79 3597 2996.16 1039.35 1484.5 3301.91 2130.94 3116.31 3779.19 1985.29 2631.42 1033.95 1911.65 1595.24 737.04 1293.63 1885.28 1883.3 4512.07 486.7 2719.22 2012.32 3764.2 3710.78 2667.79 1466.49 1272.24 1595.58 695.84 1505.77 1007.06 1273.24 1142.53 2548.73 1053.84 1612.21 933.13 5521.69 3673.3 1492.15 1436.36 759.39 2882.47 771.62 1991.92 1928.57 1026.2 653.2 2502.56 2463.37 2266.32 2331.47 2211.11 2328.65 1836.55 2479.99 2462.07 2,3-dinor Thromboxane B1 597.11 423.31 2330.65 30592.62 63071.71 60697.12 119384.18 1442.97 281.92 650.68 1039.75 1466.84 30797.62 1174.17 1450.22 17273.29 1207.17 965.58 1164.8 843.19 413.77 5521.66 559.9 275.18 731.36 299.5 473.01 689.86 842.01 277.13 397.55 1437.69 187.85 1937.86 422.19 238.83 423.06 201.41 912.02 467.79 24439.8 5006.17 559.42 1345.31 395.32 34973.75 420.64 97.92 506.1 1828.67 1276.75 1110.54 743.68 2675.02 9687.49 395.95 730.24 1283.96 1369.14 4818.52 590.74 1903.6 935.63 3271.58 574.53 5565.37 892.9 556.54 1177.4 528.84 466.31 809.4 622.64 1599.05 5078.79 10572.95 10455.05 10378.34 10570.01 10571.68 10496.48 10570.25 10553.49 10449.44 ISODUARTIN METHYL ETHER 6279.3 5717.52 14615.39 4267 11804.08 6371.85 6986.56 8658.47 7026.33 12287.18 17380.71 3873.51 17627 17724.7 10006.76 17250.04 19945.28 5225.85 17041.5 4957.73 9011.2 1546.1 20791.32 17352.89 9332.82 6676.36 17280.15 20741.59 8694.73 13994.43 6862.03 16399.96 4088.52 15548.75 17704.14 6473.32 10508.36 2349.07 17246.19 14237.23 5854.58 6163.99 23950.28 16920.63 1437.56 2383.67 6849.21 14901.45 15960.18 14591.29 3288 7076.81 18417.26 16033.9 9496.55 7262.38 14190.98 8985.42 7898.05 2253.84 21578.02 21337.62 9071.9 19706.18 19041.09 7987.97 6546.57 21576.71 18933.16 6881.53 2175.69 14058.28 16843.05 16336.81 14941.62 11275.01 9578.15 11009.03 11291.9 11007.82 11280.73 11014.98 11235.04 11568.14 Lys-Arg-Leu-Glu 3504.04 4957.57 964.06 1615.13 10341.27 21615.5 6517.26 9626.07 7725.88 8674.09 4544.29 3251.22 8825.65 4696.08 9159.76 5894.4 3473.14 11775.43 1956.99 17621.12 3646.93 2795.5 999.89 1427.77 4104.03 3769.95 1395.12 2235.81 1633.49 701.59 854.24 2725.2 1707.4 1373.05 1812.31 4377.48 4338.72 1493.59 1284.03 512.86 7805.48 7152.21 2409.45 2693.45 7476.39 2037.72 6217.53 383.37 855.99 3785.42 5301.65 8845.95 8166.54 4285.09 6219.95 5652.5 793.41 2017.3 4406.48 1630.25 2558.25 882.85 4844.72 4252.39 3419.73 6746.54 6947.66 4210.19 4525.03 11368.03 6088.33 1168.24 1445.44 4106.19 4944.12 5650.52 5616.08 5828.55 5805.9 5785.12 5803.37 5169.85 5641.64 5800.99 Arg-Lys-Ala-Glu 14737.86 1893.65 3137.1 9901.5 2857.8 3127.68 2271.95 6378.21 2425.75 3416.87 2307.2 2833.49 824.3 1976.91 4461.29 4647.6 4910.11 2610.16 3498.67 5879.17 3754.78 3486.85 6617.13 2730.13 5003.45 3247.01 2051.13 17623.2 5954.71 2180.28 1587.75 5263 4125.98 4117.52 2558.57 3879.83 3738.42 3787.58 5882.73 3425.1 3784.39 6796.44 4405.78 3381.81 3328.48 5572.65 7790.86 4843.99 8432.44 2838.78 6308.4 6055.27 4757.66 8944.43 6314.46 5041.06 3104.62 3100.91 8610.79 3686.89 3751.32 3878.13 6628.65 3764.18 1486.6 1048.65 1369.4 1258.49 3199.67 3725.09 3073.81 5902.61 4629.37 3252.88 2913.32 6122.59 7270.81 6147.69 5391.66 5725.98 6099.07 5030.33 7145.08 6380.85 Asn-His-Phe-Asp 356.61 361.73 623.62 2932.19 951.13 2638.12 2434.41 305.71 284.47 1392.8 438.99 2947.99 2127.84 405.36 341.25 2434.59 315.94 865.54 2436.85 474.3 179.23 398.04 294.29 328.06 303.69 415.11 314.48 267.41 406.4 414.97 233.31 118.44 536.49 198.37 298.52 231.52 356.87 201.05 577.1 112.64 474.58 264.18 597.37 446.53 332.09 245.07 266.39 816.2 309.82 260.31 370.71 310.72 117.52 549.28 682.73 128.26 239.77 1059.42 741.86 334.21 619.1 982.25 601.7 571.16 256.58 243.94 551.78 1277.67 467.51 175.42 731.3 360.33 203.95 1908.72 1117.26 1848.89 2004.41 1836.87 1982.33 2097.29 1857.63 1970.05 1273.99 1970.63 Ser-Val-Arg-Glu 6809.01 8927.2 12760.11 27519.74 18940.7 20405.48 26699.47 14003.42 14229.61 18384.8 26159.35 23133.71 35167.68 19059 4989.33 42436.87 13393.31 14586.91 55435.63 18475.17 8363.55 5460.18 11480.61 10788.06 6557.87 1382.09 6190.68 13107.33 9369.14 8861.39 6028.32 21391.93 5756.88 13364.94 13334.21 2190.41 6801.81 2528.16 17413.23 7107.37 13569.65 12939.93 27466.52 19407.54 16148.9 31709.93 12988.66 35344.7 10756.54 39357.24 5711.27 9911.23 43804.93 37982.63 7507.24 10471.47 10588.72 10716.57 6555.31 8924.83 16235.26 16822.07 10216.56 52190.16 6785.7 15860.53 15839.92 20038.58 21154.06 11615.98 9913.94 26633.96 38658.41 34300.34 29495.31 19696.99 19722.7 20245.28 20132 19518.52 20003.9 19819.2 19703.99 19728.83 Phe-Tyr-Leu-Glu 3387.36 9155.88 9896.53 11814.55 4212.36 14248.04 9180.97 18628.35 4570.92 11704.02 16504.17 2007.83 20214.83 19508.03 24183.86 32434.55 39507.8 31524.12 26480.32 32118.87 3488.14 19642.5 10985.06 5870.48 2485.69 27126.12 7485.37 2567.41 29313.99 12432.17 5839.52 7846.6 13839.51 18605.01 14022.26 1270.47 1280.59 9339.87 11168.7 6548.73 13641.14 1544.28 11636.62 19121.83 16130.74 20372.63 13809.12 21562.8 11286.76 7133.4 5831.5 25395.31 17430.68 21980.99 1779.3 29135.14 7125.4 10613.53 8063.82 28295.7 18939.49 13445.53 2439.37 23223.43 16960.51 1546.34 1881.44 25088.01 14971.49 12895.57 3674.56 32177.92 2941.98 25700.54 19863.63 19206.44 16898.74 17697.35 19436.44 19398.05 18994.18 18982.67 19544.5 17991.55 tetranor-PGDM lactone 9191.28 8407.2 32238.83 5614.92 2512.42 2989.56 10206.21 5006.12 1859.05 4973.61 12008.81 8966.43 8699.57 10450.16 2014.1 5000.72 9420.69 7384.37 6882.86 3755.24 9040.64 3529.92 14964.05 34549.7 14033.03 10036.5 22134.02 22492.98 8807.7 4839.43 8346.31 6122.96 9735.48 15748.69 48786.32 19495.42 22837.23 22652.06 6237.95 28331.41 2727.88 10672.51 15260.68 11739.88 2428.63 5673.27 1407.31 1811.74 6870.75 4155.67 6739.09 4771.03 20684.63 12395.51 5205.42 8459.32 21484.32 30624.07 2760.84 15739.42 5986.35 16682.66 6219.1 4046.85 5805.82 7096.98 4694.3 10113.35 11614.07 2430.05 1111.22 6935.17 3680.22 5462.36 8601.04 4589.87 4533.95 4629.98 4231.93 4284.58 4622.19 4230.29 4233.72 4622.38 Ser-Asn-Gln-Asp 15915.56 15195 19686.14 24630.44 4743.42 14612.53 27220.31 3756.19 3075.64 26333.64 32331.02 27692.88 30801.77 26362.11 4013.68 10284.5 27933.17 7885.83 35235.95 3219.9 15240.65 12498.41 24174.97 23002.2 12629.94 1912.8 25545.13 27819.7 4840.29 19725.6 8364.13 27430.05 3030.94 18726.04 21523.96 13647.24 6104.3 2273.83 28463.74 18219.72 4497.9 23524.84 34316.79 29155.49 1246.19 22567.65 9916.01 31721.91 20367.9 25070.31 15393.65 7198.97 26025.74 31854.57 11610.36 14389.08 12113.24 21277.45 12318.79 1618.99 28376.86 22829.62 7788.14 25249.29 24997.83 15429.25 11425 33531.33 31526.59 4149 9720.49 31675.3 23215.89 36651.45 25873.35 12945.89 15389.23 14788.33 15233.88 13456.07 14288.79 14485.86 15239.77 14218.26 Ser-Gln-Asp-Glu 8431.99 8563.29 766.41 1101.41 2226.62 3690.25 600.18 3584.61 8782.3 2376.43 1402.17 5011.4 3802.73 4665.57 3463.28 9430.21 4001.23 7026.26 15245.83 3811.13 6822.22 5019.51 3713.07 502.12 12046.76 4420.31 1055.51 3541.69 16313.31 10550.92 8232.8 11236.09 3101.97 1618.61 8066.76 5602.49 5443.87 2510.86 2408.18 11196.97 3538.38 3368.18 2133.08 7736.32 4702.3 7371.7 3557.28 1960.63 3729.84 3973.91 8740.75 4946.17 3326.74 8568.27 6005.69 1019.4 2368.13 2302.95 2531.7 1557.27 6068.99 3618.16 2580.19 1273.75 4771.5 3632.8 4513.4 8037.58 2677.26 4033.27 1821.38 2433.4 3243.25 1027.08 6207.83 3665.29 3727.9 4481.29 3966.52 1883.4 3713.05 3632.44 3839.91 3958.39 Phe-His-Ile-Glu 2975.09 1619.18 713.49 1338.13 1237.34 876.15 1892.64 2065.58 4209.94 2498.52 4052.03 3591 1622.22 872.51 3527.59 2735.91 1683.9 2061.67 3625.96 3799.38 1651.28 1018.79 1021.17 1267.59 783.78 1497.33 793.77 1180.01 1299.83 1835.32 1439.22 4283.76 270.69 1076.7 676.22 1567.59 970.01 583.67 1118.64 721.45 3070.51 1727.07 1397.16 1624 1957.53 572.95 3830.63 1193.09 446.75 3084.57 425.57 1857.6 1718.3 2233.38 1522.63 2489.83 749.67 276.95 3162.32 1217.47 2012.09 1244.01 1764.36 1543.83 2075.42 1878.62 2352.5 1732.15 2850.19 2260.8 3466.46 2525.84 2568.26 1328.63 2462.47 3808.3 3232.19 3442.59 3437.88 2864.28 3268.41 3229.61 3259.52 3481.84 Phe-Ala-Arg-Asp 19219.13 28227.83 7414.7 11707.2 6400.68 11670.11 7473.96 5082.24 2172.36 6320.38 11192.59 4454.6 6453.11 6288.8 11487.7 2615.49 8396.72 11655.51 1945.69 4512.01 3064.25 1111.04 2653.63 5361.09 16010.06 9114.55 4207.72 14372.35 4787.53 2869.67 2503.98 2008.07 4500.63 5965 8676.91 11045.31 17357.24 2813.81 7020.59 17176.01 1959.26 6795.47 9497.22 16566.81 6061.5 3525.08 6814.01 5042.55 1943.2 1089.09 10494.85 11302.32 16341.02 9643.38 13013.36 9494.48 9142.88 17189.94 9868 4259.27 8991.86 2011.09 15937.2 7561.07 9824.05 12720.26 7258.95 8540.17 9598.11 8252.5 3093.38 2210.16 12205.29 12358.83 5745.7 7407.18 7710.18 7644.51 7554.57 7655.67 7867.29 7538.84 7616.11 7738.1 1,2-Dioleoyl-sn-glycero-3-phospho-(1'-myo-inositol) 4306.15 14381.63 20445.87 7474.15 6052.12 2052.76 2063.82 18869.66 22827.81 10874.92 7735.99 14755.5 9266.74 674.16 3438.02 16980.35 2236.91 9355.41 9949.93 1056.99 39504.4 7498.08 30175.94 13496.73 12997.61 3567.96 7343.75 2386.72 12767.24 9602.27 8882.12 11758.39 16213.85 15798.29 5162.69 23715.26 12300.57 444.92 7867.95 5041.74 5033.11 11961.07 19035.53 5780.12 3168.77 8102.62 19135.68 18964.41 33450.34 26734.63 3687.44 12516.03 24311.48 11609.45 14111.26 10537.16 29555.31 9243.51 14973.14 1738.56 14463.62 8064.54 17795.64 26404.82 10419.73 8981.62 3829.65 4988.46 2800.17 22906.2 14366.79 6744.22 15099.43 14487.7 14270.99 139421.04 131940.91 113969.19 126627.65 86862.44 78754.66 80814.84 91900.37 91608.41 98592.27 132831.87 167555.55 180512.78 181580.08 177757.67 233073.08 189243.92 244941.65 262832.75 210131.65 179348.53 186238.95 227921.38 229235.51 205213.61 15155.16 14055.83 15270.43 11099.76 18130.91 14181.44 14200.35 15204.73 15450.77 Auda 8370.89 14695.86 9411.44 12537.56 517.01 5455.17 6178.67 2211.91 3628.3 5915.32 9814.25 7379.21 14734.93 20442.81 7024.93 6328.6 12892.72 6870.89 10526.99 14062.03 1819.95 5767.25 3798.03 2872.61 1583.87 3670.13 3260.82 3264.73 6526.21 6807.88 6794.25 12308.98 2538.58 5400.3 5015.8 5382.01 3068.67 2198.21 5096.91 6708.54 4353.98 3826.16 10359.21 17363.56 5743.25 12962.65 6778.06 10003.8 8583.91 21325.12 6722.72 12928.97 11021.14 18502.37 4597.85 14521.92 8884.67 9804.11 1321.65 5573.92 5353.76 6159.03 7803.08 9602.09 15145.04 5891.86 13336.67 12163.89 12411.61 2053.01 4457.96 5530.08 9468.17 13855.02 25483.21 7915.27 8341.96 7878.91 8304.24 8034.21 9180.23 8168.13 7887.27 7943.37 Tumonoic acid H 13621.89 4324.25 12067.63 7776.39 32031.28 17662.06 7111.47 26768.11 19968.65 973.1 4343.13 14154.74 26376.29 4696.26 12891.59 7235.07 5213.55 16285.43 2608.39 13524.39 25129.65 718.13 4969.53 890.86 13248.88 8714.68 699.58 630.7 4870.3 6070.11 20178.55 17829.4 8927.86 665.16 2257.43 13275.88 11334.51 2394.01 12697.29 2401.56 25574.47 37666.01 1300.64 963.24 37195.85 648.34 82759.39 23101.75 4077.67 1101.18 20874.52 6297.16 16925.21 3499.18 37203.96 11297.89 2339.83 482.15 38243.5 5709.91 662.48 8757.12 18010.75 1000.95 603.64 13941.53 5456.71 4774.25 6317.13 22511.38 15233.91 1621.31 1790.32 776.01 1523.31 8654.66 9339.83 10523.42 8720.61 7441.39 6806.54 2410.75 9585.13 9269.82 2319.92 1508.0 7715.09 982.24 4469.34 2191.82 23072.17 4727.26 3113.8 7546.54 1662.32 5439.74 10034.01 29660.64 9492.9 10034.49 8369.96 9540.75 9438.95 9991.91 9949.16 9675.48 10220.01 Estradiol-17 3-sulfate 13775.29 14283.65 2688.82 3571.54 3848.26 4706.1 599.77 12757.81 26258.67 7580.59 4685.19 3262.05 3115.83 2627.24 25799.19 4490.31 6609.17 11440.31 9983.23 28584.3 25942.23 20406.06 1133.69 6824.85 17595.31 14413.53 1546.3 2658.6 11070.86 3800.63 20098.76 9692.81 18857.2 1453 2998.44 8876.73 20603.14 2635.8 1248.34 3982.7 18632.46 19184.9 8262.48 2802.43 17997.79 1147.35 25266.9 10325.98 4130.66 9709.61 4738.01 20181.47 2972.03 607.23 11507.44 15336.92 1123.14 6809 25646.79 1401.92 3353.96 2926.78 9505.29 11886.13 7403.38 8975.67 21692.88 5914.52 9157.04 32829.32 13064.2 11163.66 9661.81 801.34 1617.25 11072.63 10741.13 8550.23 10331.27 10696.03 10254.88 10612.7 10222.01 10303.93 Ile-Tyr-Val-Arg 12376.03 8779.82 2761.76 5477.85 23892.25 2304.46 3759.19 15859.42 11962.36 16679.2 9614.46 16298.21 4536.74 5843.22 16371.76 16747.81 5994.11 19501.8 22056.48 11012.77 16038.64 10840.69 3479.69 4550.41 16470.88 13195.93 7025.03 5081.98 12393.24 13337.6 5148.54 20760.57 11931.37 5250.79 5970 14361.29 11860.85 1345.88 3519.18 4562.05 6016.95 12933.52 8712.51 6612.8 17435.45 4560.14 9941.14 13859.5 19012.78 13860.55 11101.74 10079.52 4108.53 6476.34 23038.61 13974.4 1734.35 5535.6 19186.98 10859.61 5052.35 7927.95 15702.43 10340.61 8212.31 21214.02 14258.51 11013.56 10765.45 13658.73 7919.76 14059.96 8562.89 6141.43 5234.35 7615.01 6875.28 7033.78 7923.12 5437.81 7483.71 6477.51 6534.64 4709.06 9128.84 3225.53 6306.3 4553.1 6673.95 6161.66 2399.59 7444.0 6740.95 6343.63 5626.36 7422.1 5710.57 6756.42 6929.36 7113.96 12087.34 12087.03 11861.5 12079.43 12153.58 11105.85 11862.73 12072.63 11851.14 Asn-His-Val-Asp 190.9 70.04 460.54 2505.83 7659.12 9756.37 5062.27 1232.01 277.7 231.68 393.42 472.17 1245.27 78.95 92.58 740.94 164.39 347.16 317.32 919.44 89.8 68.64 53.58 71.76 243.27 148.91 161.26 168.67 256.24 149.46 334.62 653.45 239.15 134.63 190.4 82.26 99.44 330.71 119.97 150.14 2879.39 293.06 112.88 219.46 889.18 656.25 337.7 59.37 195.29 672.09 176.67 481.8 448.4 263.38 297.68 282.06 56.04 119.92 55.96 1667.82 143.51 154.97 155.71 203.63 181.94 403.94 333.03 132.12 112.24 643.02 312.98 108.03 121.3 351.23 167.64 2445.43 2253.64 2460.41 2445.97 2614.88 2451.2 2401.32 2349.38 2327.96 Thr-Tyr-Leu-Glu 2483.48 2024.97 1323.56 2653.63 3941.86 8989.97 6233.69 4614.02 6951.37 5070.98 5766.27 6612.66 4867.29 3241.84 2304.81 7867.11 2406.32 1557.53 7231.44 5196.76 2895.39 2355.48 1865.69 1323.94 2102.62 1924.48 672.02 1037.59 2557.25 596.32 1029.24 3906.23 1111.43 2756.24 1241.25 2279.69 3807.93 422.63 4015.2 817.45 4908.97 6179.94 4347.6 3308.33 5974.7 4204.69 4518.15 2993.31 3191.19 5460.58 4170.38 3922.91 2875.98 2529.94 4078.79 2354.49 893.4 1431.64 5499.96 3666.22 1806.36 2930.06 3529.36 4180.89 3771.21 5214.6 3318.89 2490.08 3436.55 3867.2 3584.26 5136.43 2257.59 1234.38 7243.74 102436.55 99339.09 101534.13 76014.06 80821.79 93686.84 55477.78 75357.21 110808.26 79419.88 84441.3 86490.83 78750.48 86068.33 71674.49 73131.37 100000.13 69179.75 72798.22 90457.28 102110.36 101626.21 94391.14 113707.2 87292.1 5993.47 6218.91 6017.12 5923.55 6175.23 6173.88 6030.98 5992.46 6174.89 Lys-Ile-Arg-Asp 20526.61 22991.35 19298.32 36392.92 39315.69 26260.2 37491.81 35430.36 37386.74 27506.29 44011.49 52387.65 47441.87 34288.06 32916.45 52826.12 26282.32 31788.83 75435.6 37861.73 21532.67 14825.03 20176.9 20265.12 15654.57 13268.85 8082.49 19567.88 24856.22 16542.11 13973.18 42420.27 12452.21 17609.19 18855.74 13363.57 18144.41 2421.04 23764.4 9386.47 35666.52 33354.74 29856.15 22198.9 37217.4 30240.99 34225.79 38634.93 15584.85 63195.99 24309.95 23710.42 36089.88 35340.27 18310.62 22438.01 9736.93 15862.75 28791.01 18601.22 26108.01 28530.61 24627.65 51540.99 57578.8 33862.72 41498.58 36843.55 34005.74 29357.45 27567.14 35677.09 34319.6 34914.4 32871.33 37300.14 37322.97 37294.33 36741.93 36945.27 37342.27 38168.89 37366.39 36494.07 Asp-Glu-Thr-Asp 17866.31 4207.14 4551.23 349.23 4191.09 633.84 1330.02 6155.46 15903.56 9116.61 1128.37 1368.55 414.17 2451.67 17689.58 12545.35 24894.04 8422.01 3740.17 18381.03 13991.1 1222.19 1373.03 1326.43 9389.95 2203.53 673.82 1262.61 19850.12 5369.41 3565.68 858.49 12838.31 663.25 1071.11 3750.71 18339.96 2025.06 715.66 1943.79 9075.3 9110.58 606.91 2104.52 6626.35 2825.18 29530 940.61 6277.82 3153.4 4927.97 2894.96 1353.98 1500.62 9716.73 5340.36 33662.05 1388.34 9326.9 700.65 1742.67 646.79 4587.21 5245.85 13178.43 11102.82 3991.87 3644.96 12833.55 19948.6 9127.37 3746.42 11780.45 623.91 668.96 28892.12 35360.69 19748.6 60397.28 17003.1 24886.84 23112.21 37371.47 22401.76 55826.07 30641.73 19366.55 29395.52 47336.48 26160.63 44945.12 27372.71 29595.85 43909.81 14934.75 27889.94 29691.21 26048.99 22223.67 43734.68 7539.53 7976.71 8255.43 7598.6 8786.93 7509.56 7964.07 7491.98 7485.57 Lys-Gln-Asp-Lys 9452.3 14944.15 17425.08 13325.55 7532.88 32559.1 17042.49 5717.65 15239.93 17999.51 14607.76 6854.24 27245.26 16436.48 28304.58 27035.42 21743.38 35746 41795.69 34375.05 4770.84 25912.47 12312.38 8755.79 6604.98 27933.87 6300.33 1916.92 37203.05 21102.6 466.89 17495.18 17853.75 12695.69 11033.25 7637.1 1764.66 9043.28 11278.16 5543.96 24037.86 15492.25 18530.27 19644.52 19490.68 28556 31252.45 19257.26 14414.83 24116.89 8091.04 33558.23 18124.95 22033.83 9420.98 32960.57 9126.55 11965.95 24344.22 38069.34 16181.98 20875.02 909.87 22324.31 18235.08 2476.43 8285.09 20281.86 16803.38 10070.3 11212.33 21481.67 4253.47 18882.2 21192.66 20613.96 20612.53 20621.9 21311.12 20355.86 20355.58 20586.19 20571.55 20448.02 methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate 956.88 1093.79 861.34 2556.9 2282.79 1726.9 2593.42 376.79 1907.6 621.55 2608.28 1562.73 1348.07 1226.89 1808.61 2680.62 1275.66 758.4 1611.84 1381.41 961.19 318.68 839.67 668.65 667.47 371.27 304.12 245.73 269.2 318.54 342.73 829.23 530.88 394.47 277.5 261.03 504.65 249.66 1120.35 606.39 617.57 1309.18 1372.93 2448.37 955.16 1460.91 454.75 271.4 605.98 1869.87 972.48 2480.65 430.44 749.39 2537.29 3729.08 2420.8 892.17 1048.3 2624.65 2576.48 1540.54 2198.12 843.81 360.27 800.06 2256.44 1028.53 1155.18 492.01 3290.92 2986.25 652.74 925.64 5281.82 2597.9 2597.62 2342.52 2566.85 2597.63 2562.32 2531.4 2586.84 2531.35 Abu-Ile-OH 39528.96 5830.46 9978.94 4850.11 42742.66 16671.93 8976.9 11279 43368.2 29274.57 13093.55 26436.61 8599.23 9711.34 24511.8 527.54 143423.62 19598.13 30099.86 27066.95 26934.41 3506.06 1005.32 3394.32 5725.95 19160.52 5299.37 5736.81 15990.23 2350.3 12119.17 9333.31 44902.18 6603.85 2509.12 46375.59 8298.54 4298.13 4966.81 3004.06 12182.02 51210.57 6853.12 1158.2 62914.6 10847.98 16715.64 8960.77 460.84 22392.55 20673.56 4351.48 7179.77 5023.79 27510.07 12694.64 71096.92 787.56 53995.3 6368.84 5848.99 891.24 10466.2 5943.25 681.71 22646.46 11539.49 20189.73 9579.61 17368.55 34358.1 1444.39 12224.95 6046.85 7991.06 13221.77 13271.7 9730.7 13798.73 13813.81 13746.55 13107.32 13490.25 13814.09 Val-Tyr-Asp-Arg 7762.48 1114 535.74 501.95 10565.69 5052.57 3597.01 13694.48 12959.22 12619.69 4791.89 28071.26 7360.76 13000.89 15052.23 4916.7 2883.97 39151.76 30020.27 24836.99 14167.11 1745.18 2145.39 4984 9173.27 10644.78 1809.63 3081.72 8319.51 10139.97 16431.92 20898.23 3963.02 3412.19 2723.74 9888.13 11430.22 1395.47 2241.84 1106.99 10377.66 10014.23 2205.04 4078.02 28982.9 10995.48 9735.73 11944.23 21082.5 17847.52 11945.2 4879.42 2347.94 4989.02 11883.34 2093.53 365.34 1338.22 11483.93 2513.6 3543.63 3708.53 6838.32 4012.89 4141.43 9774.55 25917.06 6148.45 6892.01 18126.02 5805.49 3460.12 17685.91 2342.4 5523.89 10341.2 12465.96 10841.44 11196.58 11664.35 11014.54 11099.74 11678.58 11445.34 Ser-Ala-Asp-Lys 2592.64 1657.68 5249 9211.65 1290.75 2003.49 1414.91 4379.59 4143.56 6462.45 9643.29 10347.53 14688.23 6527.51 5971.09 16867.68 17539.58 3511.77 15174.25 4521.54 3562.77 3485.37 7578.64 2540.94 9671.79 8036.14 5921.81 7285.6 5386.28 4134.58 4613.47 14248.6 4755.02 6166.16 9467.12 1197.41 1343.19 1236.41 6893.33 4504.87 2898.71 14136.87 9014.41 8682.28 16343.1 7015.46 2555.15 8406.33 6507.24 15861.35 4071.28 2535.34 7257.13 10846.02 661.09 6377.02 3524.69 3809.83 6438.09 2649.62 7744.31 5249.42 3766.43 13137.27 8065.86 6873.59 5812.32 6843.45 11234.73 7883.55 4701.99 2506.03 8556.96 10374.37 10001.61 5280.1 5418.51 5011.2 6176.08 5459.04 5604.36 2905.73 5498.24 5065.05 Val-Thr-Val-Leu-Val 8229.99 4847.17 4463.28 3806.5 10485.93 4561.99 5626.9 11021.05 5610.75 4771.7 10756.24 7419.09 12659.85 6949.26 5495.48 7130.34 3570.25 3061.53 9555.98 3457.1 8428.4 2979.51 12987.6 10770.18 11687.85 7490.59 4647.75 12188.87 6061.14 6898.05 2323.33 11744.47 2343.57 3823.04 5480.41 8819.86 6119.73 2140.34 8659.39 5514.08 4549.54 11815.81 15503.06 9918.04 9039.13 11315.66 6609.82 6856.18 13038.49 9462.58 18002.64 11174.86 12647.63 13674.55 16330.16 4927.12 3137.44 3690.05 6544.59 2986.52 7084.16 8625.89 5169.23 5291.8 8408.31 8827.24 6431.42 6782.06 6268.17 5688.58 2971.45 3523.54 6514.68 11735.36 6370.9 7227.61 7070.11 6808.58 6943.69 6793.77 7042 7039.83 6817.16 6937.12 Lys-Phe-Asp-Lys 1157.59 999.55 663.73 357.48 2786.69 41264.11 21624.39 1820.47 1499.87 1134.1 795.71 1437.66 571.64 1173.71 457.72 606.05 1233.77 1544.29 2478.35 1199.48 1244.2 302.93 1130.08 1369.64 1936.12 790.28 913.57 1065.46 1676.7 2382.69 1314.81 29181.1 1405.51 506.54 1954.97 1628.79 1806.02 707.73 1008.73 1382.05 4266.06 2536.25 1959.75 2363.91 2068.53 2194.02 2562.24 440.95 1411.03 1719.1 303.36 1720.46 1504.3 983.58 1580.81 378.85 1014.73 268.24 1410.94 1291.37 309.33 2112.48 868.8 928.78 1961.62 648.32 1831.85 1280.78 1266.3 1981.3 1824.62 960.07 1707.55 893.24 777.26 4083.64 4134.49 4087.21 4158.92 4130.62 4154.02 4155 4081.63 4021.57 15-deoxy--12,14-PGJ2-d4 2456.82 6281.99 21045.87 12647.71 8963.99 43257.18 7886.99 1833.75 2925.87 11230.97 5819.29 4188.07 9588.43 4419.02 11280.97 9694.98 7589.67 6981.23 5985.96 4713.7 4385.34 5545.87 4683.45 6001.17 1552.95 2115.36 2600.45 3257.73 6509.71 1219.7 2878.96 1457.54 5874.14 6733.96 5053.77 1507.87 4223.96 2354.45 3527.74 2150.23 1785.27 3036.06 12472.65 5234.08 5698.38 5842.18 3069.93 20747.66 3657.03 6423.32 2539.48 8907.13 12786.25 7231.6 3948.9 11178.48 16395.59 3950.44 6312.6 10409.84 8258.97 11698.63 6041.02 11744.84 8497.71 5777.97 9271.81 5320.64 5756.74 6624.11 6080.33 5087.65 10309.15 10070.66 8979.94 9140.67 8847.37 9564.93 8311.98 8642.21 8982.56 8489.63 9588.38 8488.4 Ile-Thr-His-Asp 44419.33 6716.47 28293.35 17336.03 29686.14 13386.01 15146.84 32521.72 14619.37 15227.37 37741.41 15452.29 92496.9 58476.83 9515.27 21631.06 12080.58 6787.93 6352.34 10168.04 20340.61 707.95 46437.81 19308.09 6803.48 1632.76 5742.85 39526.84 6727.94 5882.68 5972.24 16833.12 1921.5 50512.6 13279.98 2607.02 13709.09 5432.49 123023.84 5666.75 1526.97 16797.24 11936.26 60253.16 11783.96 82741.61 4527.14 1398.78 45537.7 22110.08 136165.87 19430.89 47243.65 25972.42 56944.33 2896.12 13365.1 9544.89 11270.45 12213.74 35330.9 59057.42 48495.54 26837.52 4540.81 34745.32 7327.91 24957.16 10566.51 20315.88 11294.48 10712.61 58247.24 23424.79 37438.09 4638.79 8725.91 5462.09 5712.57 5238.32 5268.34 4395.56 4824.31 4732.33 5218.16 5412.49 3527.15 4621.32 4924.31 4639.52 5272.48 4860.58 6979.54 5063.13 4555.42 5429.41 4037.54 5136.54 5727.69 4626.52 28901.69 29692.71 29116.22 28686.98 29084.93 29119.1 28693.03 27754.52 29227.43 Ser-Gln-Leu-Lys 56817.74 54643.73 66404.73 55061.54 1796.84 38862.31 3954.27 65354.26 67313.4 69408.81 52299.75 61240.28 43262.38 43808.63 103038.33 51862.91 105987.46 25818.43 72851.04 64690.99 84707.99 60853.56 82890.1 114099.57 102986.12 41859.53 64740.16 88047.79 107408.08 68792.64 31963.59 60833.2 95221.13 114462.51 114565.3 96933.61 73166.04 19435.05 67322.23 41528.01 16318.69 44146.12 111901.16 24329.55 36919.5 49368.23 72009.62 78224.02 49383.41 48925.12 49498 60179.64 91810.57 91065.07 67276.32 61632.68 99613.96 102489.67 73508.41 14863.77 93884.1 70911.05 82077.82 79891.02 85595.82 61706.18 11510.34 58935.63 39802.52 37752.96 60845.94 86256.68 88043.68 80656.87 65852.36 164010.43 161069.49 179864.58 163565.66 163427.48 161909.97 147109.84 204680.86 202111.12 158227.19 147890.15 154602.06 173479.73 181647.61 143770.6 190794.49 157735.74 167192.29 197429.87 164557.66 166702.37 164810.66 161144.84 150297.76 190870.67 59608.51 58247.76 58226.54 59626.76 59005.27 58798.58 58246.99 58731.25 58771.49 Thr-Lys-Ala-Glu 1502.81 11116.98 1559.43 4049.99 3793.83 6172.53 5976.93 527.27 395.95 8821.96 1869.3 3929.81 5629.66 2956.86 1384.34 1155.18 5267.33 1470.89 4791.82 1098.38 845.75 2284.04 4516.7 2138.17 713.47 1025.73 1686.11 342.87 2429.35 1328.64 822.91 770.87 1762.33 4383.95 2608.24 822.84 869.93 303.74 2329.54 1315.87 1249.14 702.48 3533.17 2506.42 1449.5 2056.68 318.5 2781.2 646.17 4134.1 1264.6 14410.95 4441.95 3305.16 1019.3 6629.56 2464.59 2802.09 3018.3 2034.31 3517.8 9965.6 2506.19 3799.41 2388.47 2416.2 2328.34 4061.05 2135.54 293.54 386.35 11028.08 529.84 6280.22 1428.71 4904.18 4988.51 4990 4730 5477.77 4772.93 4836.62 4958.06 4840.98 Thr-Val-His-Lys 24035.82 21395.47 44236.44 43443.19 5901.54 21153.18 9766.22 34216.88 19141.27 56571.13 76516.88 73136.12 75015.96 80029.72 26355.73 45644.49 64295.68 21949.16 70375.72 1887.82 11420.02 18773.67 69628.68 42151.77 17667.22 15587.34 26243.81 47923.1 24238.09 8051.68 5500.68 59477.71 9682.68 45813.4 36716.28 20048.94 20150.91 2125.96 72455.39 25690.21 2232.54 46272.35 61680.2 78490.41 4848.92 50660.36 20570.46 53894.53 39015.76 52830.65 36042.29 36917.2 77931.98 73453.63 22715.67 25808.01 37206.49 37911.27 21047.62 18569.58 63878.13 84615.38 28199.73 60857.49 35302.29 40852.62 2401.05 80214.2 74652.92 42307.89 14722.64 79201.05 57370.56 63898.65 80725.22 33678.85 34129.89 33691.28 33694.79 33768.31 34193.08 34243.4 33914.77 31778.09 Tumonoic acid G 28022.81 17722.47 24941.34 16853.41 81044.38 7924.46 2454.67 77749.54 28252.03 23371.84 26779.79 30296.15 11675.96 19589.58 16040.24 47052.25 31536.01 26509.7 55286.38 47802.27 48045.99 10739.42 32082.13 7870.6 32073.9 16349.6 6171.44 11931.44 41452.26 27336.29 16595.79 34837.47 24253 24035.97 15949.98 43927.17 18976.16 4124.7 25193.69 3787.35 25906.33 41957.48 29876.74 9358.76 44889.39 10910.06 37789.28 41303.95 29852.22 41329.38 55840.45 33142.8 75608.44 27924.39 59276.3 15083.74 14316.54 6513.69 61664.84 6043.05 64101.16 35936.21 47811.29 62193.43 36662 9861.86 1833.55 10238.73 16402.65 60264.66 10122 14503.95 36111.86 20182.43 16537.24 36216.63 36148.88 35816.67 35256.53 35372.48 34211.97 36491.25 35265.29 36143.56 Ile-Leu-Leu-Gly-Ala 15396.67 8534.18 9995.88 18901.59 20280.61 18058.01 61781.71 30014.51 3627.08 12139.39 12253.84 16470.6 61689.36 11793.47 11931.48 22295.8 8129.96 4537.03 26355.24 8117.79 15594.27 6211.81 14540.2 7158.77 10719.48 3221.36 6314.86 4433.18 17288.16 14522.14 2309.48 14484.01 10281.28 12243.9 7231.25 11492.57 14264.68 1655.8 15521.72 3880.93 13520.95 13470.56 10220.09 7126.49 8948 12060.82 13367.47 11936.6 18403.52 16288.95 19729.65 12256.19 33893.3 13269.99 19105.39 7534.49 19686.24 4675.68 9446.23 2298.46 13996.7 26741.13 13059.97 14802.33 8908.87 16869.25 7509.16 12104.83 5859.34 22092.64 7703.05 15235.14 7071.08 10456.55 19431.4 20665.36 20828.57 19953.76 21080.45 20825.15 25650.35 21142.24 20545.88 22132.8 Abu-Tyr-OH 62009.55 82426.51 78907.66 43297.42 15533.29 25338.52 37843.35 42831.63 36133.52 66221.04 89806.28 41914.75 3990.15 69296.22 46972.29 38082.12 98511.74 11212.76 47543.78 8675.78 79423.62 61872.43 74760.36 94645.78 89212.44 81634.23 105384.23 96441.94 73187.87 78914.28 70580.35 46157.92 86218.73 63900.41 83895.98 90787.45 124603.74 87636.37 96771.66 161736.56 34375.48 49031.86 92053.15 91126.07 37390.47 27360.48 10480.06 84638.27 72551.93 5678.5 63876.74 84827.42 84055.42 73225.18 58483.42 81750.55 104960.36 96466.4 42216.57 50861.77 90381.17 70074.55 81237.57 103975.21 96644.94 48176.84 62334.12 61718.52 91066.32 53836.18 56555.71 87268.67 83525.95 61974.32 45185.29 40859.8 39961.71 39868.54 39052.83 38476.79 41889.02 41043.31 40843.08 40931.82 HoPhe-Phe-OH 7043.82 4174.56 12656.68 23075.37 2477.58 4097.59 7254.66 11221.11 2017.91 1537.21 7849.31 5270.03 7605.99 2922.36 8865.2 6899.93 837.42 7048.72 556.25 3680.86 8412.65 3256.98 6005.14 8220.16 14485.16 3449.06 2820.45 3267.06 2751.03 725.19 4043.01 4524 1403.51 9546.92 3949.22 3878.65 13847 2028.32 8596.84 10448.96 4751.47 2744.7 14199.41 6017.21 4544.45 9038.22 6927.96 5037.27 5405.45 1398.61 6521.89 10431.76 8675.25 13941.03 9633.27 7871.64 7000.75 8980.06 2906.26 2213.54 3045.56 11043.13 11298.48 20203.77 5406.84 11585.24 1366.97 1638.89 3845.88 14677.51 6574.58 5704.29 13234.7 12261.91 20201.08 1837.42 2355.31 2065.58 1112.39 1949.29 1504.49 949.99 2798.68 1300.9 590.78 678.59 1298.02 2757.04 1972.13 3929.09 4140.12 4393.34 5912.22 3896.1 5598.45 5369.75 5364.24 5513.56 4738.91 4775.46 5167.42 5391.76 5182.98 5046.16 Hex2ulof( 2-6)Hex2ulof( 2-6)Hex( 1-2 )Hex2ulof 3773.76 4857.63 7133.54 1593.32 4676.94 789.6 3416.07 2231.57 4386.46 4460.49 2760.7 2110.45 5886.78 3726 2268.21 6481.61 15704.78 5120.88 6424.13 575.33 3432.95 1007.57 2030.7 4979.33 8459.17 5195.64 4263.89 5572.72 1432.17 999.22 1895.07 1981.17 3336.59 1675.33 1130.53 4376.29 2409.62 2430.83 2320.46 610.43 3203.78 6929.34 2642.61 5454.75 5573.49 3557.3 3008.3 3776.01 5517.95 2817.16 5412.38 1226.68 4183.17 4125.92 7366.78 3282.89 7238.06 2886.11 1403.58 756.64 3469.86 1692.66 1257.23 2355.85 557.26 2485.93 815.34 2170.33 3027.42 7068.94 3074.66 7521.97 3345.53 4257.32 1673.33 4212.9 4278.04 4570.48 3408.8 4067.13 4624.6 5162.26 4584.03 4049.74 DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 2168.69 1535.87 424.8 1142.67 1210.05 1156.21 1174.29 446.11 623.04 2898.23 3317 2044.74 288.65 374.91 894.82 1590.96 1049.59 1194.77 966.06 1635.74 4216.53 1380 970.84 2000.12 1726.67 767.51 4389.89 1488.54 1498.63 1266.44 1223.3 958.95 750.65 1212.39 1111.4 2205.39 540.78 1032.89 1003.66 1551.69 829.51 979.18 2036.58 2538.63 1726.99 1652.28 1154.99 1662.42 848.85 1078.8 2487.45 983.91 3398.33 1488.54 969.99 462.23 1334.97 1681.8 682.44 1141.9 878.65 4394.61 2298.29 515.9 828.65 861.24 1491.05 4308.17 1573.51 2502.55 1669.12 5827.47 2434.32 1786.82 1707.51 2935.43 2691.65 2509.73 2556.6 2018.83 2477.73 2670.27 2713.91 2568.84 DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 9012.38 10173.47 10692.81 2605.17 17767.43 8469.85 12509.75 12668.09 1636.99 6817.7 16827.22 12142.76 18152.33 11644.31 37707.35 13420.41 27657.95 14744.46 20071.05 7969 2924.45 365.01 4564.4 7953.23 1821.87 2407.91 2101.89 1191.8 3807.83 891.05 2110.99 4847.48 4443.98 2009.5 3420.72 4988.43 3538.42 703.88 1192.11 1629.4 4974.15 26224.24 19504.52 5276.75 13588.4 21862.1 8148.36 3249.17 15821.66 17921.32 24510.25 8416.47 11528.25 7832.94 12494.53 19254.81 12826.6 14139.28 8189.78 5448.66 25049.21 18114.91 20346.11 18215.17 27090.66 26435.97 8005.16 30630.78 20498.02 15715.34 26607.71 36418.22 20588.93 19873.76 15857.01 18739.42 20348.66 22279.22 20082.55 21609.95 22121.89 25571.55 20011.12 20230.12 DG(18:2(9Z,12Z)/24:1(15Z)/0:0) 815.99 936.79 1260.29 1273.61 1445.36 1082.49 1759.22 1102.54 725.28 2340.37 1399.5 2657.57 562.69 3195.73 1431.21 1461.66 541.86 1428.03 817.59 983.59 1155.98 1723.08 1450.58 2297.87 909.71 919.46 748.71 1908.73 846.85 1259.66 1066.19 961.99 828.22 1220.95 1477.2 1631.2 684.04 1094.16 1053.49 1808.21 804.28 1083.45 497.81 2455.67 1978.44 1302.59 1013.3 1848.9 983.21 1079.16 3613 1239.51 943.59 1262.75 2000.45 917.91 500.81 1059.27 673.63 2608.55 2139.6 3852.56 567.16 766.34 1194.73 1226.59 728.49 1367.28 1099.56 1052.69 740.11 859.46 1112.36 1414.4 2972.38 1045.93 1159.18 1070.95 1088.02 1062.58 931.23 1366.2 1176.68 1189.62 TG(14:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 6588.85 4220.93 3904.1 8385.93 2219.33 2431.31 5125.19 2458.99 3710.6 9768.22 8991.29 6151.82 5213.67 8985.56 5028.17 1658.33 4356.97 5239.96 6632.3 3921.12 2901.84 6388.81 6504.32 6888.23 5156.05 1913.24 2357.1 1511.14 5987.14 4171.82 3053.55 2584.57 1464.2 2259.69 5420.67 4755.23 5788.98 1328.45 10716.08 5656.59 5039.67 5149.52 10173.58 7786.37 8172.57 3532.98 4877.19 4872.13 2504.45 3526.41 4728.56 6067.77 8508.62 5818.09 2581.04 5049.26 3845 7451.27 7159.67 7206.61 9204.82 14378.6 5311.35 5971.14 6231.38 6239.52 4214.04 14916.21 1830.56 5650.36 6288.51 11718.78 6102.31 6052.27 6142.17 8130.63 7671.42 7333.12 7307.83 7339.12 7689.02 7717.57 7358.24 5717.99 I(-) 19649.17 23088.23 12738.52 211719.02 17780.04 7086.82 526421.67 375.39 34413.59 2211.86 19988.56 531.54 19819.02 17873.09 43044.26 19490.94 46928.17 50541.35 4703.44 64643.42 2054.62 14150.87 412.73 12284.08 3689.86 23826.86 19709.04 4996 6364.64 4957.24 37254.2 3041.39 16017.5 122149.7 2363.29 22174.92 31533.02 5382.44 5388.06 1893.6 634.74 414.23 1759.46 2561.99 41936.7 109795.17 68673.89 38369.77 15196.46 24265.19 11813.27 441.01 4562.17 57623.79 18212.55 25155.24 678.15 14842.92 8463.54 376.36 17031.11 37936.82 24430.47 2574.39 30765.09 406.27 45607.85 14704.08 2670.52 3288.18 2039.68 27719.81 21759.4 130254.61 337551.82 9694.17 16893.46 9614.68 8869.24 7840.13 8211.17 14363.03 8248.88 6683.49 8416.53 8539.31 14905.77 7912.83 9095.77 9107.91 9385.89 11840.56 9495.84 9751.68 7219.73 10427.73 11915.86 9005.59 18728.53 12056.61 28046.65 27827.84 27799.55 28219.07 28039.13 27799.35 27833.03 27336.14 27795.81 [(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (Z)-hexadec-9-enoate 1923.58 1589.25 2006.39 2819.44 2172.22 620.34 2205.51 5938 3277.52 2577.35 5192.92 6723.97 1022.52 3829.02 699.3 1695.06 1315.66 1578.78 3224.55 1934.96 3453.63 1300.84 3143.31 2742.76 2789.38 1903.21 4996.57 3483.37 2291.15 2330.37 4308.14 1611.41 806.11 753.1 682.08 2576.49 665.48 827.96 1612.67 4547.96 1600.88 2031.67 2752.61 4020.47 2898.63 2765.17 2217.88 2756.87 3340.56 5280.62 5261.08 508.41 1319.17 1864.57 3702.62 538.89 1305.25 3154.82 3206.66 621.73 625.31 4568.45 833.5 3644.22 6863.66 3534.25 4356.1 7322.47 4574.8 3379.1 3432.1 3444.77 9377.12 3435.12 5464.74 2768.56 2727.74 2768.21 2696.66 2770.48 2768.72 2768.35 2769.9 2538.31 (2S)-2-azaniumyl-3-(7-chloro-1H-indol-3-yl)propanoate 29291.59 16928.42 2647.19 2572.16 37676.02 22085.99 20629.49 34918.7 46915.75 17823.56 37713.99 27950.15 32967.74 20920.59 31601.55 37788.75 16870.65 68185.38 25207.55 92017.47 2791.23 11889.67 2907.78 1061.2 4322.3 3346.19 1081.36 21738.15 28662.01 6679.57 32048.28 37926.08 3649.32 11781.76 8125.66 23233.77 11468.4 4288.01 22612.96 2537.27 89229.87 46121.66 18121.61 18888.6 84548.73 40664.98 52897.33 27376.51 21705.02 86228.98 25981.69 35709.53 61508.93 37684.06 18590.86 19792.86 3642.4 3052.37 30494.95 12989.82 17175.45 8250.25 16333.99 3065.76 2296.59 43528.67 57711.9 26680.03 17142.82 23103.67 19894.92 1630.69 26793.77 7496.92 26380.2 33441.11 33237.56 33438.92 33441.9 33937.56 33346.59 33233.28 33233.91 33444.35 [(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-tetradecanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate 11069.85 9265.01 21362.45 7165.72 7800.69 16172.65 2366.37 86796.54 28339.61 12799.63 34669.97 58758.76 42279.15 53329.99 15203.01 15686.55 24502.93 12921.02 806.15 68003.04 56638.29 14175.44 16092.19 111514.26 82017.89 9659.61 22829.66 18269.63 10116.49 12178.42 17369.19 14243.08 147053.15 9736.07 86312.98 50917.97 10255.1 1757.63 4660.36 22513.3 18990 8034.53 29490.65 14200.83 24185.7 12902.2 89155.1 17081.45 41940.36 49027.98 70348.09 13920.53 22805.15 86815.18 69011.05 19378.72 5252.34 32080.44 32431.6 16878.28 17883.94 45561.89 78620.37 5845.05 97886.95 42419.91 9853.7 28707 26153.1 58404.16 16369.77 2783.45 68773.9 61457.57 59414.41 30536.29 29660.18 30709.16 30600.82 31667.55 30578.32 31146.49 33440.27 31762.28 magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-4-oxo-11-propyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid 2001.61 10439.6 2758.37 15840.1 8276.87 2233.96 13724.55 6156.25 6129.2 12017.92 48971.65 75856.15 17331.34 48993.59 6052.61 42250.54 30746.71 2136.35 80574.59 15861.65 14866.03 1218.19 30075.75 25976.98 2532.56 5487.88 19624.18 19575.34 8321.91 47746.03 3717.54 41998.32 1776.93 29612.54 27703.95 3790.7 8958.59 4150.5 17032.59 16430.86 9376.03 6807.54 29384.04 28613.44 13545.81 23418.45 8181.48 33252.37 10790.71 56064.23 5639.08 3226.54 46419.32 42200.43 3513.38 3886.8 721.3 13360.92 7653.71 1265.89 30183.73 53011.84 5244.07 42183.34 50816.29 1741.59 8046.2 30211.78 19060.75 6551.58 18184.4 21633.57 32908.35 23121.88 21701.19 14048.71 14927.87 17585.71 15061.56 15093.43 5196.57 13859.62 13548.23 15062.38 (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one 13546.86 9062.58 6307.44 9754.98 11699.21 10043.05 12676.09 14338.71 9925.73 14950.17 30922.71 11273.39 13009.78 6686.2 9771.49 11817.13 7756.95 5404.09 31129.4 6371.93 9435.92 12204.85 9106.93 7259.45 7619.31 6353.62 5689.89 3616.11 9687.17 8118.38 7060.42 9455.63 5555.85 6357.44 4037.31 6916.84 8831.04 5006.45 7737.2 5590.04 15936.71 11599.87 8469.07 6504.38 7287.42 9279.92 8913.13 11056.71 6680.92 13023.74 7142.97 7914.49 7547.4 24198.16 7894.32 9040.06 5940.75 7067.3 10401.63 7965.97 6403.62 20149.18 8493.35 12692.43 4793.4 15336.31 11329.6 10521.23 6274.57 16442.42 9184.36 22424.15 11196.97 8219.97 9129.05 11810.74 12186.02 11810.38 12018.42 11871.6 11371.59 12518.38 11805.43 11805.48 Resveratrol 9478.95 4584.01 1866.22 2599.99 7800.37 1463.73 4208.27 14479.98 14349.13 3358.44 4575.79 10651.87 3672.35 5649.26 12336.53 9124.41 6405.84 9601.03 13147.91 22205.33 9864.35 726.1 714.74 1403.56 6508.6 3323 1054.01 1947.37 10863.23 6052.54 7726.78 9287.4 2576.02 965.2 1607.21 7408 8222.26 1153.5 1420.3 1241 12142.36 9900.57 2785.74 5675.53 12900.95 3156.41 18500.88 5807.15 11800.26 19846.1 5524.15 4175.23 2796.62 2668.69 5898.38 9114.48 2119.6 2163.9 7456.23 1731.3 2940.19 853.43 4349.11 4555.12 8383.62 10138.16 13071.4 7024.67 9322.45 12229.28 10968.26 4370.93 7829.78 6490.78 6825.51 1644.79 2905.3 1953.91 3472.11 977.52 3792.07 4217.98 2142.44 2304.11 5331.96 3111.13 3008.83 1864.04 1935.86 2407.48 1572.74 3337.0 4462.96 2858.89 779.65 2480.38 2986.98 1566.87 3671.73 4385.26 8986.16 8866.68 8991.78 8818.64 8974.41 8614.68 8804.17 7555.94 8987.81 DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 314.46 626 669.69 646.45 645.47 2165.37 1003.01 991.45 762.92 298.99 577.15 1013.09 218.16 587.52 268.67 484.67 803.85 636.21 566.12 1166.34 882.73 788.19 747.22 567.21 696.63 678.19 1312.84 344.19 808.17 277.01 566.23 518.32 995.37 450.31 376.29 562.83 788.84 870.59 331.01 553.95 525.3 946.96 673.64 484.49 690.07 1102.18 770.6 416.29 4159.78 982.82 1124.68 752.24 439.22 483.31 620.55 360.01 803.1 2758.33 733.07 630.56 695.45 891.41 432.88 605.42 1042.78 976.62 525.55 717.65 585 1260.3 1914.48 372.69 666.49 1466.57 581.3 1426.45 1802.52 1269.35 1442.45 1657.65 1422.16 1187.03 1239.55 1218.98 [(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] 19-methylicosanoate 1924.31 2526.17 2779.74 2639.28 1297.61 1568.55 2721.93 2345.5 1156.08 3487.07 4361.26 5032.32 2728.59 1034.73 1670 3016.88 5748.54 2368.43 2317.43 924.36 1525.68 1173.64 2396.77 2004.89 1831.51 1018.6 4793.58 4363.06 708.53 2578.09 1079.36 1177.16 1534.1 3316.67 2394.24 2067.9 1605.18 1140.16 2658.82 1900.65 784.66 1326.4 5609.67 2689.69 680.28 2593.91 1376.86 4379.02 2583.62 2696.44 2322.23 2441.79 3752.3 2832.16 2865.41 1709.12 1635.97 713.03 2098.88 2982.22 2199.19 5279.8 1221.08 3657.65 5342.84 2010.1 1003.11 7582.95 3151.65 2229.54 773.82 5452.91 5346.99 5471.88 4250.32 2032.07 1980.94 2018.19 2076.87 2042.88 2000.1 2048.26 2041.32 1630.51 DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) 976.13 2705.42 2140.49 3121.67 530.62 312.09 5719.37 5014.05 11970.5 8179.17 890.95 3415.59 1815.01 3581.07 2898.26 1175.97 442.72 1626.03 7926.73 1299.71 1188.52 550.71 1262.29 1439.62 1147.2 696.81 468.36 954.48 397.38 294.74 564.19 2545.82 212.67 532.23 1254.23 969.89 241.87 980.55 336.56 1159.9 707.77 1338.86 695.6 592.63 4979.24 11243.39 2866.68 1803.1 2168.11 3616.28 10701.49 900.24 758.24 961.61 1414.45 1179.56 168.07 1729.3 686.14 1625.27 1453.36 1130.69 3436.68 2292.42 467.08 1679.43 1825.28 5020.81 1900.63 1300.89 4255.16 6785.61 860.31 3187.81 5293.46 5880.24 6022.58 6023.68 6022.71 5913.47 6036.76 5390.72 5925.97 6034.01 [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 16540.67 11691.03 6140.33 3411.14 3796 3921.6 1214.64 9493.06 7749.65 36514.79 27965.48 12541.26 13742.7 18253.92 20068.76 8133.9 23397.26 4609.94 15553.96 5154.46 10602.66 4305.74 5355.81 14076.43 8177.43 11984.27 5599.44 8467.16 11171.96 4781.66 6048.19 12497.91 5074.55 3344.22 21380.68 5631.15 8602.07 3181.41 13286.41 8096.54 5855.16 10601.78 19104.46 24621.66 16288.2 12791.19 23045.39 11655.96 2254.22 7908.14 15824.02 7511.56 16595.92 35277.17 8834.84 11788.93 1750.53 14410.11 18654.05 9838.15 16451.74 21530.95 19347.57 10569.78 9123.77 26848.75 15604.76 12329.35 16805.87 14547.48 15104.38 33097.56 14924.68 19908.87 16916.76 16541.43 16722.54 10475.53 17857.3 15475.13 15309.99 17010.77 19405.41 15347.33 5'-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5'-thioadenosine 7413.69 1151.58 4309.64 3996.48 3001.77 3120.79 755.3 1171.22 1451.32 2188.68 4267.33 4461.05 3897.12 968.72 2039.83 1894.29 1546.36 3833.66 3528.75 5014.98 22220.58 1804.64 915.14 2275.91 2725.16 6465.59 2393.18 2386.33 4692.66 3911.79 15983.1 1025.07 1279.75 3566.78 13686.52 2792.99 13557 13844.21 2431.54 11200.06 6291.93 2544.1 1552.74 4822.35 1412.41 3640.16 1315.83 2685.73 2373.57 998.47 3272.41 1956.29 3372.28 2226.39 1920.7 7985.73 6503.39 2077.41 656.29 5010.59 944.95 2643.48 1023.41 670.68 4280.78 1246.18 8783.1 766.59 1116.43 8394.43 3543.09 567.07 5814.91 3188.66 6136.11 1973.7 2338.11 2245.96 2086.64 1589.12 2699.15 1990.95 2260.37 1516.51 (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al 177746.7 249847.76 36997.9 208146.02 14503.12 3222.22 38703.13 49610.39 97832.71 129808.11 128307.04 52223.67 97308.88 44297.93 255128.31 108759.46 199190.68 164716.41 50822.67 54317.16 16396.36 13504.1 37127.54 32271.91 1054.05 40502.57 1838.87 14698.98 65445.56 32725.22 197784.07 12598.43 35121.1 81447.85 41080.08 10890.42 14508.66 38658.54 23859.14 8528.51 70041.22 117668.06 62325.32 53400.59 20115.73 35870.71 55560.58 39596.34 83514.09 48755.48 21952.05 132565.39 78307.27 91544.89 50763.83 36916.42 37967.61 7049.23 65732.65 43368.84 56424.09 58102.77 69782.27 61391.23 47309.77 134755.23 70572.17 65290.53 53604.88 60633.24 38970.71 216218.25 77987.63 76560.35 8552.97 38911.4 25422.57 41235.6 37709.75 32519.96 25973.28 26753.2 37539.46 13737.54 (6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid 15418.74 10493.09 15981.21 29104.78 13166.54 22002.89 32302.39 21090.65 5747.08 14956.52 17186.34 23037.49 35636.43 17372.5 10081.59 18584.78 14289.72 14080.95 23118.92 2726.63 4443.19 16184.86 19566.82 13892.5 10840.68 6709.1 8142.73 13038.3 10174.05 2747.15 3251.83 19355.12 5186.19 12933.75 13521.67 10913.64 10492.16 2077.03 13809.29 8695.53 5008.31 20115 19174.17 24703.76 16437.16 16779.67 9057.32 16285.18 8220.53 17276.71 14472.88 18079.17 17529.71 21186.9 18854.78 20592.22 11808.5 13665.52 14960.05 13241.91 17159.56 12780.6 8211.97 14141.85 7949.77 22354.5 5619.05 17136.49 19250.85 17164.04 3129.4 9243.26 16394.48 15727.42 26195.62 19001.72 18370.93 15148.91 18264.75 18225.45 18912.88 18785.59 18688.35 17954.68 DG(20:0/20:4(8Z,11Z,14Z,17Z)/0:0) 3407.32 2222.28 1557.33 7685.03 4421 6422.14 5331.88 6204.6 2868.58 3185.69 3486.28 5157.68 10282.49 4594.81 4351.36 18167.79 6034.77 6399.22 3934.96 5556.47 3792.03 4031.16 2964.22 3772.16 3712.14 2016.28 1795 2191.25 988.79 4384.98 2107.54 2716.35 1513.06 2721.32 4253.8 2912.32 2192.77 1444.29 3585.07 2114.03 1654.21 2426.88 3866.98 7698.3 4270.34 12095.97 6300.23 2936.57 4303.83 6856.25 3854.61 3644.2 4300.95 6841.8 3719.33 3586.42 6302.84 4282.03 9896.15 5349.23 6114.94 7990.77 2429.95 7594.97 1909.57 6418.24 4639.83 4891.66 8321.76 5774.51 5170.44 2744.15 6546.38 6431.33 6536.09 5882.06 5877.27 5662.21 5805.07 5779.44 5878.86 6001.65 5775.05 5830.81 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 14857.2 4930.83 4829.23 5905.8 7378 7114.98 10323.18 14123.92 6142.45 8779.41 14449.04 11867.09 11423.51 12742.19 11860.08 10332.7 8854.06 7637.18 21012.64 4282.37 19279.47 1516.9 10650.69 10008.37 16927.94 2395.02 8311.29 14036.14 8785.34 6254.06 720.9 8401.92 3357 1075.61 5402.65 3711.76 5466.93 1254.57 10616.62 6030.83 1558.85 10622.88 16752.34 13927.64 9692.03 3455.23 7798.08 9190.24 13637.92 9872.73 14518.79 7593.32 13533.42 12339.75 9893.12 1724.36 964.2 5089.45 9711.06 3428.72 11718.03 17898.84 8414.54 5355.26 5387.49 6638.28 9560.53 10171.11 4785.76 9693.32 4730.97 10147.5 9664.92 8025.88 10658.98 10074.94 10156.84 9713.01 10136.72 10369.33 9668.75 8921.3 9903.04 8896.09 1-Erucoyl-2-arachidonyl-sn-glycerol 1080.68 1065.34 2044.16 1682.59 1665.92 827.3 2950.55 2321.38 1487.52 1972.08 3293.75 2762.62 2265.76 829.53 1701.15 1331.87 4301.83 1809.46 2104.25 1407.1 829.08 1314.46 2231.7 1210.14 586.19 1988.37 3218.54 973.07 1381.11 665.24 1884.87 1717.68 1568.13 731.81 2480.47 1945.91 1739.32 1082.06 561.41 1753.94 1218.68 1377.63 2008.06 2394.55 1206.57 2778.75 1503.51 2348.32 1327.01 1022.9 2019.75 2691.41 3051.1 2340.92 680.88 872.44 3730.11 1896.22 1778.5 949.59 607.25 5645.55 1917.92 5363.65 4580.52 2210.08 1762.86 4564.13 2064.37 1918.1 1932.01 2530.07 1932.27 2959.82 4331.45 1565.36 1483.96 1622.67 1525.15 1592.13 1541.49 1585.22 1692.17 1214.04 (3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one 29070.09 33398.24 21080.54 94319.89 41902.34 21665.57 42456.76 38454.06 27203.31 54484.89 37173.88 22548.68 52991.83 61606.21 60679.25 37577.32 58349.71 50682.81 65897.01 38108.75 24760.78 50251.61 16032.06 13774.04 19331.03 14263.71 15797.8 13323.57 7354.84 10222.09 3059.23 34449.55 21256.93 34300.15 29281.86 9463.82 20722.73 31952.24 19988.96 1138.85 36127.5 21281.92 67938.58 42775.54 36733.14 39584.28 41637.71 19601.46 33703.6 38520.89 27621.69 43866.45 31373.63 23046.4 27003.35 18597.84 35041.45 36110.74 34605.76 2329.44 55447.44 51650.31 46033.2 28569.73 40653.76 40033.14 47462.38 38747.91 41668.47 39753.48 40426.66 53300.12 50722.74 31309.31 28346.92 52367.2 52138.93 56155.29 56105.7 65834.55 54062.1 55567.49 52728.53 41505.56 DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) 1880.43 2026.7 2538.45 7081.98 18570.22 37189.92 6703.83 9039.01 2830.77 3719.87 4564.04 11662.37 2109.06 1574.44 4175.6 11609.11 2902.79 2799.44 4375.2 505.65 3215.98 4334.16 3905.49 2723.46 1454.31 727.92 3901.32 1209.96 2647.11 3720.48 3472.41 4609.81 2042.05 336.23 2131.35 2526.02 1618.11 2216.89 3849.94 1483.92 5048.76 2474.44 4471.82 2499.16 2758.39 2623.53 2691.91 3034.08 3723.01 6080.06 1593.01 3553.41 5788.01 1970.15 2569.43 9371.04 6054.98 842.54 2874.33 15627.95 1135.44 2869.55 3767.11 3136.52 2173.17 12103.52 1777.54 4196.7 4055.52 2619.25 6703.55 979 2966.22 3182.9 1827.74 5626.77 5550.84 4627.39 5539.9 5016 5615.86 5235.51 5558.24 5564.21 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol 843.06 2932.94 5955.33 5635.01 1200.99 1763.86 6665.35 1571.89 1352.66 7020.81 4297.12 5262.14 9647.07 12899.44 7861.83 7850.49 5612.63 5017.36 4336.83 4218.04 1262.22 3454.78 4705.66 6716.66 615.47 1189.69 1733.51 772.56 1317.54 1947.28 1629.33 1137.54 1767.51 10116.53 4254.99 3088.34 1716.19 824.71 10569.07 9118.53 3694.39 2646.18 4761.45 4953.81 5053.19 12353.82 1635.58 2671.33 4702.3 1377.39 2729.84 4787.53 15018.51 25234.74 2550.97 2468.01 15666.97 20917.73 9034.64 6334.48 3925.41 27061.99 2296.85 16087.86 6901 1004.6 12781.59 6974.46 9613.5 1523.26 591.67 7213.61 4197.7 18771.36 9499.15 4029.43 4619.61 4316.82 3833.45 4257.67 4378.57 4023.46 4536.76 2090.18 (+)-3-Hydroxylarreatricin 12378.42 9612.47 3222.22 1793.58 7553.25 2883.2 3587.89 18984.06 13411.35 9527.41 5506.67 5166.9 6741.42 6682.2 16105.24 8498.49 5815.01 19515.91 10352.17 11225.82 14780.75 2284.3 1179.13 2402.12 14423.44 10886.4 3648.9 2940.03 14223.11 6661.58 11687.96 9810.27 7001.7 491.37 1178.69 10584.91 14144.63 877.14 2318.15 6350.26 21971.56 12673.93 4641.16 5278.7 15958.45 1326.76 27336.95 7165.45 2531.51 21262.23 2589.29 5560.37 2867.42 3212.38 8984.92 11237.4 2440.04 3789.45 16081.15 4634.1 6774.82 2876.65 9150.44 7313.24 12486.1 5227.09 6510.06 7098.43 25054.32 22979.79 32441.3 12244.05 17599.11 5168.62 9574.15 7766.9 8627.23 8273.32 8698.61 8701.4 8713.7 3502.81 8714.68 8651.7 TG(10:0/14:0/a-17:0)[rac] 18090.8 21680.36 6687.28 2457.64 3099.78 4890.01 14488.86 21746.15 13365.57 21790.02 40322.4 46445.77 25516.04 17465.46 11008.88 17389.84 20782.47 7575.07 23013.23 12981.71 14508.64 4048.01 18485.78 15627.04 8332.42 2257.88 35951.02 45255.01 4057.45 27069.72 15835.01 29008.37 10423.61 14712.19 9336.59 4547.89 14678.09 4332.76 8384.86 12909.31 10702.91 18771.44 44902.7 19317.48 9720.96 32729.59 11897.03 83823.21 27605.35 34978.38 40866.56 15934.27 27487.8 31456.05 18563.91 8798.5 6519.26 2767.78 3338.15 9381.53 16699.26 42991.22 12866.63 22650.57 36290.12 11389.24 16857.49 49309.65 23252.78 26106.85 14311.1 28274.55 74352.85 32869.54 28992.65 21510.65 19186 17449.96 19114.85 19113.15 18094.17 18387.35 19115.89 18545.15 Cinncassiol E 1801.77 3537.71 21027.29 47251.31 7782.08 2783.32 36603.76 4171.64 2669.36 6638.59 15780.31 81091.21 18645.3 21303.27 1394.66 18070.31 24261.55 17754.1 21914.68 6451.24 1662.28 2518.81 9004.59 23309.47 1943.26 7935.31 12334.27 5157.98 3853.24 5072.23 1795.33 10289.27 1387.39 7395.1 12941.49 2444.84 7610.39 4973.05 21216.43 1783.2 6487.07 5570.79 24010.09 28813.69 4727.43 12069.02 1509.84 4548.59 7823.07 9109.56 2059.97 6160.01 11299.37 13774.21 4142.83 2877.37 35535.56 26029.95 2052.12 12777.05 34691.63 5143.53 2117.41 8786.77 11870.3 7545.02 1221.8 11199.59 20120.05 4460.13 12904.73 12683.8 14000.68 9108.3 23976.45 7950.49 3480.71 6396.22 7030.76 6735.49 7044.84 6346.14 6659.61 7095.34 (1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene 47164.06 57099.23 16783.5 73174.62 76526.96 109362.98 91677.96 78480.56 76676.95 42663.91 72827.31 60755.94 20794.22 40023.2 130964.31 115801.07 102431.5 145271.03 81804.2 125643.16 31231.82 14768.82 12322.69 17045.68 19326.85 26548.1 15430.9 13162.01 22585.52 49269.59 24130.92 38044.29 53245.8 13251.18 19564.42 16796.02 45940.73 10775.28 29260.23 27318.41 132049.9 35848.61 32751.88 63521.7 70993.94 52273.93 95957.72 62451.33 17732.38 75243.98 38419.86 48469.44 24049.43 30867.7 82749.5 64322.89 42173.49 45299.49 116972.75 95789.83 74302.05 44316.77 82683.22 97605.14 122380.44 63766.05 88261.07 37762.18 53915.68 92599.64 130404.3 81770.6 94950.72 111964.82 103597.08 92716.9 94291.42 94144.85 94097.88 92308.15 94090.96 93977.62 90144.84 92726.07 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-2-azaniumylbutanoate 1361.16 619.29 1838.39 1926.16 1558.06 1673.61 983.04 1320.48 1259.55 1129.74 1741.46 810.12 711.76 1340.13 1275.73 1926.99 1613.52 1180.6 1275.72 1247.6 465.39 5712.38 1472.44 1638.53 804.66 606.21 1211.53 927.54 1122.05 1129.72 5408.7 702.01 2025.69 1080.17 445.87 1495.54 758.56 623.51 627.13 592.11 820.08 2007.77 459.61 1053.31 656.52 1060.83 1404.05 541.91 1449.51 616.85 804.26 2147.31 1163.3 1636.41 1034.24 1076.43 1927.67 3593.67 1016.65 2607.13 1162.73 956.7 1459.08 829.03 2531.86 1029.53 1100.5 1048.56 682.41 1340.35 1539.22 1328.68 643.08 1858.7 1336.54 1305.23 1311.98 1296.78 1165.72 1262.83 1300.22 982.72 1203.92 1536.25 TG(10:0/12:0/18:0) 952.74 2158.89 5583.48 4064.78 5073.04 1411.23 947.73 6126.17 3949.74 2968.91 4301.4 10589.27 1082.71 2281.26 2869.3 2664.46 5706.51 2702.69 5698.17 2889.24 5017.4 4736.33 1769.24 2343.71 3057.17 3642.7 14472.97 9627.17 4586.06 5555.9 1571.21 6022.77 4678.57 836.85 4926.3 2116.48 4204.99 11817.72 1480.28 5416.75 1113.09 7066.48 18800.09 4818.34 2481.26 6827.71 2252.01 13551.94 10632.75 5727.59 10848.67 4244.74 7760.42 1343.14 4326.57 1264.61 10173.41 4225.61 4531.07 6774.88 4690.59 10139.3 3996.28 2966.38 5023.81 5565.48 3918.76 9159.86 862.68 1836.75 4654.73 12159.14 14513.09 6594.91 9019.08 2645.24 2481.89 2293.04 2246.95 2688.86 2676.46 2449.81 2818.96 2491.14 DG(18:0/20:3(5Z,8Z,11Z)/0:0) 11557.08 16036.31 1810.32 13731.18 1711.71 4243.99 4801.32 13650.33 13389.59 16625.13 19363.79 9563.04 1109.99 14575.91 14033.08 12352.25 11169.79 23866.9 7300.77 17451.51 7023.9 8612.87 1090.79 4737.23 6161.25 4167.05 4215.38 6771.35 4988.02 8727.29 1824.58 6839.22 12459.06 3524.55 1515.72 6370.66 14430.31 2341.38 14365.43 10667.09 15440.21 9842.16 12197.03 18124.51 16081.38 2528.13 13478.24 12703.49 7592.31 6691.09 17477.92 17782.35 9628.31 6403.66 13236.38 15751.63 8467.07 18368.86 23780.43 25545.94 20430.73 17746.16 14429.32 17383.89 23650.19 9130.83 8592.46 6635.07 17719.28 16909.48 20440.07 14024.6 19039.25 18286.68 14958.17 14370.8 14515.09 14429.71 14234.34 14370.2 14367.16 14234.23 14238.15 14234.21 TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) 2025.19 1140.5 2070.25 2283.26 1748.05 1427.98 639.59 1446.3 2580.4 863.55 4136.83 5557.55 3687.41 3276.9 701.81 3105.49 2124.4 1081.51 1061.8 1551.94 3098.03 653.49 3150.01 2108.37 1005.21 626.03 1531.15 3936.25 1539.07 6159.35 1762.86 5121.66 630.55 1179.31 1591.91 758.52 2167.86 1156.38 2535.31 2652.04 1720.41 3058.22 7078.98 4378.14 750.75 3332.22 1559.25 4367.53 4531.02 4604.8 1403.66 1951.35 1205.51 1629.45 2419.67 1011.85 1937.01 2390.31 2328.46 1412.3 698.71 2649.87 517.81 3387.57 3604.19 2769.82 3088.72 3822.27 4317.85 1498.32 645.42 550.28 5696.48 2991.39 4048.95 2531.04 2553.34 2539.56 2436.96 2688.83 2380.74 2663.85 2006.63 2419.23 (3r,7r,11r,15r)-3,11-Bis[(5r)-2-amino-4,5-dihydro-1h-imidazol-5-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione 23627.95 12163.49 5728.87 8505.04 13082.6 13361.03 10354.88 33188.31 26815.75 23217.68 18298.1 23219.59 12324.6 7108.01 44595.7 16620.83 27391.32 52545.53 26293.43 30097.86 34343.76 7575.85 5967.47 16279.68 24243.78 10261.61 8283.99 10455.52 44217.56 6642.01 19384.07 41315.38 12888.08 1931 9782.83 28189.22 27807.74 2624.69 14090.25 10643.39 16579.91 32031 12355.24 17263.34 41287.09 19582.95 44926.9 20094.64 19732.63 33230.3 35522.14 17276.19 9613.41 23453.89 28962.26 17277.05 1397.2 2912.41 61820.18 7631.13 26955.06 10076.75 35110.55 19650.79 30100.89 47061.05 21662.33 18246.55 18738.84 30722.37 25232.75 17739.76 20498.29 26396.6 21526.37 24049.43 24738.42 24180.78 24740.81 24679.62 24737.5 24728.98 24809.81 24126.61 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 4848.66 1055.1 2139.51 8560.82 2686.56 1426.17 2383.76 4588.32 1937.94 2520.78 9284.97 12606.2 5969.27 5195.79 2787 5274.67 3907.51 2747.69 14858.84 2410.46 4217.6 2641.1 5860.51 8249.11 2336.43 781.47 2097.15 5478.23 3485.44 1740.78 1154.78 6140.24 1317.97 1836.08 3753.58 2215.6 2478.65 1106.44 9591.7 1616.38 2343.44 5647.27 8180.43 5801.66 4569.75 7197.73 5710.64 7080.58 6499.83 12393.16 3287.88 8759.52 10108.85 14275.31 7787.24 4164.03 578.45 538.89 3321.47 822.66 6471.27 9039.75 1935.07 8202.96 6117.54 6260.49 5085.88 5564.55 3110.05 3076.74 1359.97 4709.04 13681.01 4421.81 8303.69 6639.69 6133.7 6624.57 6493.15 6632.8 6338.43 6458.88 6657.49 6814.91 DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0) 3531.69 3278.75 9308.96 5933.53 3365.43 729.49 1139.78 10182.26 5676.36 4697.75 3640.15 5473.38 5104.48 4854.74 6551.85 6639.8 13974.92 6133.98 9028.49 5811.18 3752.07 1796.08 2730.94 1355.21 2046.82 2137.92 1085.61 522.16 2386.24 6864.06 829.85 5400.48 10388.18 6871.69 3516.61 2092.76 5062.31 3088.17 3034.48 2455.76 4376.1 13973.47 5206.6 4735.75 7902.16 3521.49 7094.41 8010.56 3833.68 4126.86 6593.21 7238.21 5207.51 7342.54 8553.28 7396.27 5645.01 3461.52 11851.85 2212.17 5648.39 4046.72 8069.09 12579.59 8350.23 6019.72 3926.26 3879 4403.82 8792.85 6087.57 8153.75 3996 10236.01 9161.97 8849.57 8860.29 8875.41 9336.24 9319.2 9643.85 9299.8 9260.69 8858.86 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate 38447.28 117924.65 1990.59 57211.86 31180.47 12648.45 42682.53 16511.86 20857.87 22773.34 8827.6 50456.4 129725.87 136969 234015.83 25048.56 41236.67 250498.58 170612.07 65794.24 5299.04 8259.55 2114.95 5506.29 6554.16 12555.03 267.62 7539.09 31171.98 12458.65 60533.37 53935.37 8992.05 951 4080.39 5455.07 1480.22 4866.63 11689.8 260.61 220059.18 78449.3 15221.07 11852.37 139205.03 39352.4 48063.45 16471.69 8952.03 223847.54 1823.5 43044.05 11670.96 17508.32 31968.78 52625.93 4668.32 12045.57 1647.3 19987.2 3694.64 3012.07 18840.92 6876.57 11379.18 74412.27 248846.37 11041.22 19235.81 15602.34 21490.37 28249.64 4291.62 34170.77 14678.97 38942.9 40129.99 40750.77 38811.68 40403.92 40232.32 38304 31553.55 38124.59 TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) 3554.57 2438.52 670.7 2460.87 5216.17 5080.2 2190.35 5973.21 5221.64 3427.55 5564.62 5309.08 3782.88 4342.26 1998.05 4741.85 1661.96 3959.66 9199.32 2956.54 2792.85 2212.35 5149.22 4568.71 4869.12 2944.69 3514.33 3457.64 4208.17 1669.75 3471.95 2628.21 1402.63 1197.42 2424.1 3592 3857.7 608.97 4097.61 1674.12 3150.34 5477.13 5798.9 4177.03 5637.45 2844.59 4227.17 4023.95 3811.92 5077.72 2768.04 7190.15 4662.51 5724.42 5846.53 2820.55 1514.33 1272.96 3612.69 1879.56 2699.14 5357.24 2210.36 3461.9 2272.03 5371.36 3654.95 2515.2 1394.87 3588.13 2490.79 4633.12 2713.6 2307.76 4154.42 4251.49 4241.74 4235.96 4247.83 4285.14 4244.38 4134.6 3951.13 4122.42 12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d 33053.03 51415.6 16880.02 28766.97 53957.69 86460.17 43769.72 40120.52 29753.88 42744.78 49910.53 32580.79 51791.44 31856.94 43353.8 49804.92 33267.54 32973.53 37913.8 7177.43 28753.23 42548.65 39802.36 21350.46 30709.47 39131.02 22774.3 28564.13 38662.07 4661.91 25453.15 30874.93 30240.51 32194.85 16835.26 31136.36 30916.82 12016.29 42028.25 19792.89 17497.63 42565 39853.52 35550.3 37558.16 38732.78 47908.75 33631.9 22022.24 30215.02 36638.7 68359.56 46284.01 41231.4 38587.15 51240.19 18335.51 17743.56 43713.85 40974.47 34394.9 45198.97 43639.74 52722.34 36078.68 53382.64 16852.58 40503.43 33725.96 42167.91 33146.38 46595.82 36574.59 39644.26 42920.01 43247.27 42651.97 43421.05 43439.57 45149.57 42058.77 41815.68 43448.33 42575.11 DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) 55966.7 66767.41 14302.82 79298.32 1788.6 50593.46 664.15 50300.51 56107.06 36187.28 66375.55 35944.54 11424.41 49582.56 175795.19 45933.93 147138.54 120923.41 51625.63 145107.7 28052.85 14867 13442.22 20784.37 21509.28 36569.14 11625.74 12372.87 5557.38 94657.18 26235.77 23904.81 78987.47 11780.62 27229.94 18140.49 60139.49 8087.86 50748.95 31041.57 39053.94 11636.06 58320.56 99184.42 61529.97 33125.79 88700.24 66253.3 11999.66 35208.87 17579.53 60299.04 28294.37 32072.41 65803.94 82683.19 47290.37 91956.55 181452.23 98955.79 84242.06 35668.26 76039.17 87249.78 123815.26 42203.8 81994 26990.33 62556.2 78844.31 133403.42 95429.24 116404.91 101465.68 88813.45 71920.12 73850.32 73389.79 72085.88 72104.91 73392.32 73357.53 68691.95 73441.48 Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate 11653.59 14415.6 3316.94 7696.92 4613.63 6796.67 3226.47 3946.13 4502.39 3174.03 3692.21 6984.35 13062.98 14771.77 13360.06 6244.98 6978.07 25924.87 10416.73 16774.08 2256.96 3180.6 1565.26 2075.59 1905.73 2469.13 1152.24 1295.42 6006.17 4086.57 11939.02 20777.21 4198.98 2009.3 1857.76 4764.33 2300.65 1476.31 1583.26 629.28 14864.32 16393.39 3899.4 4488.1 24601.83 11348.48 10089.05 5491.9 5967.53 26713.63 11758.5 18006.62 4916.33 7126.79 10866.83 18305.03 3267.93 2537.93 2703.32 3222.28 1630.64 1658.71 9488.86 3861.7 4628.21 12148.79 34732.54 4469.39 6385.69 4077.52 3911.97 2649.17 2124.15 6638.01 3104.21 9353.69 9541.7 9342.17 9339.26 9357.29 9716.36 9374.38 9103.63 9556.2 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate 3512.83 4721.28 3855.53 13294.59 2084.44 6308.89 3941.65 4204.93 3945.34 6794.12 6013.32 5532.8 6599.4 12969.66 15341.09 4979.78 20644.95 5712.44 14617.9 10530.56 630.12 509.46 373.95 381.55 447.44 2452.55 681.84 698.08 520.36 2423.83 1677.91 1601.58 486.64 463.5 727.03 380.71 510.17 1510.89 5138.73 3016.05 2571.69 3160.88 8171.24 5837.82 3413.01 8082.78 4429.71 9295.98 5218.67 5080.7 2803.37 6153.45 717.87 6297.59 4051.18 3599.07 5459.8 489.49 667.86 3564.28 6982.11 7541.33 4516.32 5565.28 4823.65 7142.14 7183.48 1994.57 4241.92 4186.34 3550.87 18579.67 6444.73 5170.87 6823.54 5754.57 6363.78 6622.22 6462 6644.59 6348.13 7466.45 6377.62 6434.72 TG(20:0/8:0/13:0) 11884.47 15860.9 22634.94 2776.96 6717.42 9683.5 1769.04 11201.26 12058.23 21721.47 20166.39 25559.55 6553.66 8373.74 6728.97 4857.94 16223.88 1729.93 26136.79 11850.44 7033.69 10108.4 20371.94 5294.5 3613.25 8184.8 43639.66 63216.97 964.06 22289.09 2750.93 4824 9285.82 19467.88 8483.4 3992.28 6485.31 5038.76 9344.73 6444.64 6355.79 12482.13 51369.41 13889.47 6156.52 12460.94 6618.37 37744.77 30125.19 12040.83 25686.01 13760.79 20078.49 18378.62 8940.02 10958.02 14028.19 1849.29 1559.39 6928.33 12947.16 20239.76 7109.86 20761.37 22371.97 26312.85 7048.78 37249.63 11792.1 10067.33 6593.3 39481.76 26934.57 18876.34 14230.57 9051.26 8745.29 9448.84 8794.59 8785.81 8749.27 9051.84 8975.86 8592.86 (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate 28017.76 25628.56 7521.74 12185.95 45672.59 47334.24 20346.09 41965.36 48555.26 22943.11 21735.78 22157.42 21443.34 18313.36 38795.85 19955.37 5351.36 41498.85 26943.5 50838.58 32314.38 21782.27 11114.77 9472.5 28991.94 20674.06 6710.47 10495.5 22543.89 8247.94 21914.2 18990.49 19710.78 10505.25 6979.49 16764.44 27655.25 7247.36 13757.42 6282.91 42127.34 42494.99 15367.74 8281.26 38643.35 19255.65 35714.07 18836.25 9301.45 26000.37 24261.86 33930.22 15015.99 15050.41 27422.96 31836.86 7047.65 8539.66 43779.92 28775 12352.31 14113.94 27916.41 16540.49 8336.94 40387.13 49067.78 20989.58 18386.42 42458.03 37175.28 29529.01 15806.92 16960.14 17423.91 34695.63 33907.2 34778.09 34402.57 33850.24 34621.89 34620.53 33664.68 33577.87 DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0) 57037.07 99768.39 27322.09 59095.29 7749.6 32001.96 9780.12 67992.93 69583.05 74318.22 130436.73 55543.68 11920.37 82216.22 102055.73 59494.61 85233.29 132709.63 54532.65 115234.72 41153.35 38332.68 25479.05 37279.42 35869.83 54001.29 24375.28 29417.82 29031.04 105873.06 41757.29 40044.32 74676.52 19565.79 43450.88 26407.62 83492.36 19439.44 75718.89 55779.82 98001.08 27772.4 72571.92 119464.76 81077.2 30118.31 90497.18 86292.16 19275.46 45587.57 51846.46 99345.09 57446.25 42575.88 85768.43 100765.98 74713.84 124049.37 157278.55 165857.85 136408.56 92770.68 95395.48 110825 158848.29 40069.19 107448.39 25732.74 113177.17 95621.64 128879.62 87293.93 121773.45 103366.16 99498.55 81561.42 81242.88 83682.41 81893.92 82200 81586.22 82360.25 80116.53 81182.28 Physalin I 2064.57 6182.64 6166.63 2308.85 909.92 2359.66 519.71 283.69 5119.09 8030.1 9485.01 1054.64 1213.16 3546.11 14646.03 48355.86 31871.34 62647.04 76525.23 23049.39 2963.8 8405.85 394.85 3558.43 4751.71 27629.43 2440.85 571.06 41012.72 20274.17 3144.64 6081.3 4520.15 1512.49 12441.45 344.06 2143.61 1230.63 950.53 2989.33 10110.88 402.58 9699.79 20478.24 11470.21 2084.21 22549.75 28186.41 5872.74 12174.51 2925.49 17099.66 25770.18 3153.2 3578.27 12876.07 3501.96 23324.32 16551.09 9385.98 21795.8 3579.96 591.32 11694 34786.82 2670.99 398.84 10676.37 11138.97 7748.42 2862.21 10326.53 6596 26184.71 4058.41 17254.88 17102.3 17631.52 17154.83 16286.83 16198.17 16004.07 9540.07 17113.37 1-(9Z,12Z-octadecadienoyl)-2-docosanoyl-sn-glycerol 1183.46 1822.02 6905.23 6805.17 2629.02 4120.91 3792.58 935.95 1580.67 1944.95 2002.83 2335.95 4588.85 3184.12 1536.85 3847.08 3552.09 1532.64 3303.48 1346.78 2439.17 6034.33 3574.12 3256.33 780.47 783.31 848.21 479 2895.1 836.42 1085.63 1542.3 1512.34 1939.89 1560.99 986.57 735.55 917.76 3098.88 1493.34 834.25 977.55 3005.66 3289.6 2751.2 5906.8 1821.11 2359.11 1893.95 1932.2 1558.87 2394.53 2564.67 2303.29 2121.44 2043.9 5081.59 3111.23 930.62 3387.68 4962.88 6156.63 1755.6 2726.4 987.74 2829.83 2836.13 2935.17 2392.75 970.37 1110.34 1795.05 1640.41 3859.72 3685.26 11612.55 11429.04 8071.93 8470.38 8075.95 6794.61 9163.83 8917.97 6059.19 695.12 6877.27 6971.0 7213.88 6836.43 6016.77 5953.26 6557.01 6227.13 5727.29 4813.04 1486.81 3049.66 3097.52 3099.6 3132.07 3051.16 3066.42 3083.83 3080.43 2887.26 Histidinyl-Asparagine 9371.87 4251.23 938.01 973.2 9159.91 3739.8 6293.19 13038.55 7149.88 8101.91 5668.07 12434.76 1363.15 6469.33 12162.5 5895.17 5568.14 7241.06 10905.62 15708.56 8922.51 3779.75 1095.59 2925.21 8660.38 4481.19 2865.7 3190.47 8820.84 5677.1 3761.45 4251.63 3902.88 1577.97 2171.25 6500.37 7871.19 1299 5018.78 2565.95 12578.73 12640.35 2879.84 5015.05 5790.9 6801.76 12719.41 4693.12 6612.85 12253.63 6531.74 3923.5 4303.9 1876.84 8624.81 4808.88 1662.52 1014.76 12067.89 3511.12 2738.74 2969.54 5260.59 4148.37 7214.55 13350.16 10124.33 7727.54 5618.58 9637.49 10754.74 9086.2 8934.27 6963.41 4071.23 9321.34 9470.97 9737.24 9470.23 8734.18 9321.62 9408.1 9472.66 9342.29 6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid 11824.49 5620.76 7412.05 1550.49 760.3 8232.72 3101.01 4431.55 3402.23 6506.63 4629.81 6720.77 4413.49 19890.71 8288.22 753.48 11683.5 6014.06 6620.27 9266.3 15210.48 7942.38 13771.42 2357.14 37053.21 9422.77 18209.51 44124.03 18735.92 61278.59 28265.36 15812.77 3663.97 862.33 1672.69 38143.01 16625.95 1432.09 16108.59 26600.32 7745.6 17544.33 6162.26 15007.33 7561.51 10945.3 3003.4 17240.27 35664.82 5425.08 30990.06 4444.43 8653.35 19134.14 17588.44 917.41 1237.82 2029 1335.4 11976.08 12878 12088.24 3837.81 7550.4 7971.77 4328.27 9046.15 27541.67 12150.47 9705.4 2387.29 13533.88 16177.72 7720.99 2032.23 7344.89 5071.85 7356.13 6929.27 5502.86 6690.81 7506.83 6977.64 6802.9 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 12295.48 5168.05 2134.41 2680.71 11651.36 1787.49 3787.54 12975.21 11669.76 2569.76 6280.96 38841.49 8777.17 8004.42 5706.44 5863.24 6815.71 3786.54 23588.14 9926.96 23147.8 1748.55 5738.94 5765.16 8598.73 3657.76 4397.2 1249.66 9847.39 4324.24 1967.86 12499.2 4050.2 6593.25 2466.77 10605.74 6706.19 1056.3 5397.83 4344.65 5004.19 16703.95 7650.52 4797 15659.26 6444.98 15769.43 20804.41 13396.12 10133.42 11844.83 6946.16 6351.24 9424.56 17678.3 8104.23 1582.73 3642.87 10703.79 4113.34 5268.72 5402.71 8945.2 4784.03 6107.31 14247.39 9091.32 6881.56 6119.03 16042.07 4472.95 17118.83 9992.76 3517.48 7088.24 9928.41 9834.16 9818.03 9828.07 9824.17 10081.91 10187.22 8610.69 10060.29 [(1S,4aS,7S,7aR)-4-(acetyloxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate 52548.75 39055.79 32734.78 52036.46 5388.2 4684.23 10378.92 39387.31 34198.06 45022.26 36804.69 48600.54 37817.87 56000.72 52012.61 40820.11 60464.47 49753.41 48005.98 37720.96 29589.21 35078.04 26813.08 36654.27 34268.51 33952.28 29494.74 30915.43 40602.49 40086.96 30555.84 30309.37 37863.28 28777.41 48472.44 32309.98 35388.46 32596.72 34951.94 35782.22 44086.02 40221.4 34301.12 64807.67 38788.98 41464.28 42156.1 36997.11 32947.56 34013.48 41530.25 43363.23 35215.59 35644.6 40475.26 38908.84 44029.04 56021.18 42103.23 68317.25 59874.23 57413.09 44847.75 43864.34 57551.56 51404.72 46141.96 54598.49 53555.84 37825.64 58120.62 65652.7 42006.4 53030.6 46555.5 40162.91 40172.09 40165.27 41195.56 40662.3 40322.61 40568.7 40724.07 40180.92 TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) 17068.38 13602.1 38367.8 40295.7 1067.7 3911.38 6106.44 11172.62 23458.34 22025.54 24901.82 12976.57 9044.78 8300.34 41071.03 18368.06 48211.44 13052.01 26661.24 8298.41 8723 10615.75 19062.13 18145.74 8935.91 10853.87 8025.44 5602.75 20914.37 12712.39 9313.88 6691.27 19747.91 10897.81 30634.07 9362.16 8356.96 2743.37 7759.37 11133.58 9255.89 11480.32 15948.88 22130.3 15698.59 5116.74 11808.36 8611.66 7506.51 10634.43 2735.14 10609.96 23111.79 14920.92 9024.06 15214.98 22254.88 22558.15 20130.79 12236.21 9969.2 16314.08 7470.39 16894.45 17800.2 11483.61 16354.74 17265.47 14351.47 9091 18729.8 30941.83 19873.35 43056.46 29917.63 14060.77 14793.69 14337.57 15528.12 14265.91 14910.97 14925.84 14946.74 14554.82 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) 15825.47 2290.61 1980.9 8585.69 16771.38 4103.61 1133.17 12771.01 4300.49 3399.65 12504.82 8142.56 9600.67 8467.53 11814.93 9138.73 2816.51 4165.85 27186.63 543.58 5288.27 828.27 8070.32 6461.07 10951.57 3294.37 6006.74 11508.76 4240.98 3986.63 2082.3 11364.18 4734.18 3328.59 2362.69 4164.11 3784.87 675.82 5237.03 2722.47 1054.05 14740.22 12850.08 6913.7 6322.29 12646.03 3295.59 5411.82 16814.63 10251.51 26210.93 10724.81 8798.54 12112.1 24879.28 2372.31 2233.51 977.19 5718.55 1190.57 6276.23 12684.5 3959.59 3848.59 3184.41 9776.48 5302.14 4568.15 4225.32 6972.84 993.63 4880.18 6673.71 4799.02 7492.42 6521.61 6522.5 6486.9 6629.91 6755.11 6628.38 6624.68 6170.92 6547.94 Meliantriol 26459.09 42025.56 23580.5 14425.48 11001.57 11117.89 14988.05 15020.41 16259.18 20658.37 64140.43 18622.79 16954.29 12795.57 19962.96 22307.09 21178.42 63323.73 82233.67 15630.77 62203.49 25672.91 45994.44 43034.97 48569.69 15514.91 11783.84 14546.65 28473.09 15816.61 6109.85 10633.81 29690.53 13908.03 26102.08 16779.7 14491.15 10683.35 16806.63 41517.14 12417.61 15329.61 23249.62 23141.05 17746.04 15117.73 21256.12 85502.42 13564.7 15635.05 8903.17 18756.22 21131.72 21593.98 25272.32 37639.14 25494.54 26946.29 24097.57 27194.36 62108.04 24599.79 18039 33110.64 31289.48 52004.46 21732.77 19501.01 19767.44 26126.71 19841.42 20037.87 24957.34 29941.32 23039.19 30951.48 30689.92 29907.05 33862.8 34961.05 34649.82 33890.1 29884.18 33807.37 TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 3511.28 1310.18 661.47 2580.73 1739.16 1972.88 1106.7 1706.47 879.6 1145.55 2114.63 4134.26 2064.35 1524.48 1275.88 2375.74 1495.11 409.48 7514.61 779.24 2547.75 507.65 1428.93 2911.86 1384.08 706.93 1091.68 1234.98 592.61 2326.3 537.59 1657.93 1139.85 1762.14 704.72 563.35 2708.19 895.13 2187.88 773.36 1010.31 2681.13 2737.8 1037.42 1284.46 1623.55 4438.83 7517.74 2550.11 1628.89 1512.75 1732.29 2597.9 2441.37 1703.27 1189.11 478.39 740.81 1030.32 538.45 2368.58 1463.67 2212.43 3065.76 913.37 6280.43 522.43 3655.8 457.5 1335.58 692.14 2037.6 3007.93 2171.19 1579.05 1766.61 2783.08 2359.37 1973.66 2076.3 2346.85 2501.49 2090.04 2098.09 TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) 32.15 224.58 36.61 211.92 67.42 34.6 58.29 427.91 42.09 903.67 921.07 226.29 518.1 2158.87 61.82 35.52 293.38 32.1 32.08 734.81 37.2 196.63 32.64 1130.88 32.18 239.92 32.21 441.57 32.1 35.64 1109.38 32.24 685.35 57.05 887.6 248.44 32.65 32.15 32.91 1097.41 35.47 81.21 319.95 1857.35 32.09 32 474.2 36.72 37.75 32.35 638.65 61.58 50.91 227.53 45.54 282.29 39.21 1102.09 320.52 2159.36 45.04 1951.81 34.57 37.46 1087.86 34.99 32.1 983 1938.8 412.78 237.12 57.9 430.88 846.79 542.77 87.38 87.4 87.38 87.46 88.61 87.46 113.76 108.94 91.41 TG(18:3(9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z)) 14329 12511.27 9302.51 25952.34 4588.74 3641.01 6200.32 3190.84 23462.55 24507.77 18273.3 18013.05 11211.64 9916.27 32426.92 14154.65 26049.37 18770.53 30517.42 4079.47 15915.57 13557.2 14588.72 10912.29 12009.54 7618.11 6772.41 7796.55 35166.76 12615.56 7274.55 6243.49 13331.8 5670.35 10815.2 12680.04 14098.95 2405.99 14468.12 5181.42 9886.13 4180.21 14629.65 14878.37 17635.68 5453.67 17473.76 9366.64 5570.68 7719.17 5395.07 4928.22 15129.73 13300.81 5986.61 17000.4 14087.89 14611.87 21369.92 7308.46 8110.54 16022.07 7302.93 12841.69 12814.6 23290.59 20660.98 19174.55 11047.36 4178.15 20875.98 25404.39 16599.61 17718.4 21995.92 14558.05 14515.66 14515.96 11087.81 14059.05 13932.14 14349.93 13988.28 14571.86 1-(8Z,11Z,14Z-eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 5843.48 3372.18 2069.05 2506.06 869.23 911.46 2532.64 10823.57 4373.69 3206.44 3706.28 4739.77 1773.71 894.68 4600.48 5280.21 3381.48 3510.34 3733.91 5761.47 9825.37 3243.55 2598.14 1697.08 4051.86 2872.03 1931.22 1030.87 2180.26 873.35 2525.77 6834.21 3955.16 4360.62 1058.41 5187.21 4562.94 726.98 2001.94 778.65 3387.44 3965.9 1227.02 3640.32 7908.1 453.23 5801.12 2620.86 1269.46 5248.3 3750.65 1648.25 2359.38 1178.82 1759.67 2239.56 2008.36 1526.43 3771.73 2987.4 1487.63 851.58 2017.37 3414.19 3075.49 5291.34 2819.82 4091.84 4868.74 13744.33 5271.42 4799.48 5993.56 962.31 1691.94 3130.02 2700.47 2632.18 2701.18 3554.71 2888.57 3177.77 3217.16 3688.2 TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) 1990.46 1931.09 6295.46 13174.31 834.59 2577.59 3674.4 1599.84 1161.33 880.45 7198.71 6653.43 3435.99 5503.57 739.76 5142.77 1358.3 1301.72 19728.32 1193.71 1464.26 1123.72 3502.27 6664.08 1633.68 1084.68 2319.32 3208.64 2496.37 2852.53 1525.01 3731.7 1139.18 5232.52 5784.11 1411.52 1366.53 1334.88 6841.31 3460.86 1861.83 1951.46 10137.18 4437.86 576.57 3130.19 1707.85 6701.36 4241.95 7688.28 1637.67 1078.55 9528.57 9217.15 787.45 1957.27 2529.23 2886.79 603.34 1767.65 2372.74 3419.19 2480.84 9171.59 6678.45 2428.8 1260.8 6590.34 899.01 1539.3 2001.14 7240.22 1231.13 4929.98 5511.76 2416.54 2602.29 2558.39 2711.32 2484.58 1565.05 2639.31 2936.5 2579.24 TG(10:0/12:0/14:0) 3663.75 3228.54 4393.6 3547.7 1463.61 1179.99 4992.3 5182.49 3291.15 6228.11 5327.03 4332.81 1749.8 4396.77 1368.22 1454.43 6733.99 2951.86 3477.35 2939.67 3366.56 4999.72 6424.34 7628.4 4150.69 649.09 9044.55 6833.91 1436.45 2162.98 4592.02 2438.99 1021.67 3449.76 4255.03 4247.98 1799.83 2768.17 4601.05 5349 2842.51 887.3 2810.19 4850.55 4868.96 3023.1 2624.78 3989.74 2475.98 2767.66 6099.05 1558.93 7803.39 3784.37 3224.75 2560.53 7661.82 3400.53 2710.62 6329.48 5705.12 16154.6 3968.37 4367.55 6198.75 3192.03 2955.84 7821.38 5283.54 3575.16 3629.82 5251.75 4720.5 3753.71 5444.55 3064.22 3059.63 3061.98 3030.06 3006.4 3064.18 3064.05 3063.97 2910.89 11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-13-one 575.41 312.41 2296.89 1665.79 11373.32 57724.57 17777.67 532.03 2216.9 22710.81 15115.46 1122.39 195.8 1295.12 229.61 1836.42 10256.33 996.84 4032.16 14467.37 1188.98 10160.06 6348.89 2856.84 3214.94 952.23 5088.92 7232.05 661.17 619.03 595.39 763.94 255.25 7466.67 5220.46 651.27 880.21 5910.61 10642.25 3080.32 664.03 905.43 993.44 2003.21 1723.02 1091.25 1644.41 2906.26 4844.87 4968.87 288.96 2951.49 2495.74 5659.96 479.56 1078.79 5113.36 6884.44 1624.96 29223.52 9007.26 8434.85 494.35 1113.94 2304.25 898.3 921.43 762.91 4906.75 1157.88 1178.34 22427.27 6903.68 4658.03 662.88 7950.77 7704.19 7889.24 7480.49 7930.94 7741.79 9008.95 7156.86 7568.08 tetraHCA 39292.95 18287.83 10535.58 13527.33 77097.17 29057.6 16684.28 95256.85 49544.67 32579.77 26362.35 64161.71 9984.38 17386.45 58823.11 74872.47 36875.55 32682.34 65306.08 46466.37 83471.58 2095.97 43150.25 19910.45 47135.72 18892.58 15534.37 11892.92 31750.48 25627.44 15972.11 71784.29 39021.3 19737.42 9223.41 53919.87 50446.62 17415.87 17086.84 8023.43 21650.71 61221.36 28046.44 10536.13 66143.43 16694.88 104229.72 53382.95 52292.69 46462.37 36068.6 25067.41 10928.83 18565.63 65478.37 27611.96 3541.78 2930.57 79558.11 16840.7 8112.53 5735.59 53214.11 27068.25 30958.71 44904.02 29278.64 21956.57 18054.39 79648.42 50401.86 36073.43 29478.55 18365.1 11419.1 46504.47 46924.24 44841.22 45018.23 42414.96 45054 46413.88 44970.22 44861.85 1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol 5449.09 2604.84 2586.47 8496.53 38338.83 8791.92 34820.59 5780.22 5516.79 1224.25 1173.68 4403.89 26748.53 742.14 6450.24 2858.8 265.41 4499.11 1909.77 4839.2 3617.29 411.73 704.51 530.56 2248.03 1899.77 912.19 147.73 1942.02 1736.31 1440.89 3779.63 3566.47 840.62 454.26 2247.62 2721.89 327.2 189.89 449.73 11061.68 4643.83 799.11 961.39 6146.16 13873.26 6122.03 2218.08 2283.44 1748.88 4370.18 1432.76 1058.82 1961.76 14330.72 3263.54 1065 125.64 7632.58 1939.31 1502.84 2623.93 6207.5 186.75 306.15 7066.12 5745.82 618.52 533.42 7450.88 5195.18 1264.97 344.67 894.85 1838.08 7172.92 12525.26 13342.49 13128.08 12148.11 13156.03 12016.63 12210.1 12071.83 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate 2814.56 43432.05 10401.6 2776913.13 895194.39 2189461.39 2951751.53 4063.52 53815.11 164.99 1012.24 8012.58 587735.74 275564.16 114224.05 150605.67 152068.58 8265.4 1528.36 119105.02 9820.79 873.03 12069.69 16242.53 1356.09 1876.76 16550.24 8636.08 3547.04 14243.43 79937.71 18983.46 434.92 138441.01 46749.2 16010.65 685.8 9426.9 13876.5 9027.75 187673.03 34860.38 433.01 77.1 82580.76 1275171.52 66843.06 30062.73 3381.97 113884.52 15217.84 96747.54 31523.62 225692.12 7295.18 38033.44 23663.98 15155.8 17363.96 136195.69 16425.08 185491.97 713.64 1560.85 27357.68 10788.41 145378.43 14102.32 1592.82 30215.83 1017.72 33586.68 27559.77 87667.88 267468.01 8875.89 4749.3 30518.1 12912.89 11566.11 14761.15 20746.5 5867.96 6896.96 6505.09 16003.63 10186.11 6146.74 4912.86 9452.25 14367.51 13477.11 6335.91 35147.03 9176.2 19297.86 25858.99 14045.9 48721.12 9434.68 216889.82 217490.61 218190.02 218379.95 216518.56 217659.34 222145.98 214146.15 216480.46 (20S)-Cholesta-5-ene-3beta,17,20-triol 2711.36 2175.93 3664.4 5094.33 1033.43 5586.61 2541.33 2970.86 3855.52 2834.91 7145.36 3547.8 2147.55 11014.04 3702.48 2926.79 1530.62 4375.22 3056.87 7664.19 922.14 720.26 4917.26 597.33 4126.97 4651.7 2369.68 657.84 34515.17 22639.18 892.26 2531.62 4029.66 1210.02 3008.7 4843.13 4776.64 1380.14 3550.75 2069.35 2843.06 1360.27 2372.17 4442.49 6487.55 3498.12 1358.02 2586.78 1001.75 986.69 1270.96 3274.77 2824.79 4941.08 3327.84 1834.54 3269 5660.96 4147.69 8620.16 8568.17 7500.66 6908.45 4931.83 10474.16 5730.99 2542.98 3702.73 4765.59 6214.6 853.92 1511.35 3932.66 7621.44 1591.68 3202.35 3094.09 3418.01 3308.45 2903.39 3578.85 2974.94 3339.59 3318.76 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one 56168.05 25254.2 12957.7 37092.67 44429.17 21111.06 5583.15 27003.12 33079.26 16713.37 57249.66 62530.14 49325.11 47870.46 46517.68 29704.06 25715.83 40701.73 107325.84 59316.72 36644.29 4033.25 37145.88 40558.85 25246.88 23832.88 28416.23 30047.05 41364.35 42483.82 18029.61 76904.1 13874.76 20524.72 21807.75 18861.23 29959.33 10133.4 30793.31 35323.71 28352.34 43941.98 45086.25 38865.48 34871.96 71273.93 29877.51 69993.81 33454.46 67005.14 46532.1 38225.49 54052.43 73066.36 44306.01 25016.29 14422.22 15592.23 33234.64 7379.85 40142.74 42567.78 26924.68 35981.27 51814.84 49253.83 70125.13 38416.61 39678.1 30689.4 30954.38 29403.89 71635.31 58668.76 46575.35 31581.95 37419.51 41300.91 38578.65 38551.22 37898.51 36817.63 38079.17 39690.58 DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0) 4295.57 5452.58 1525.86 1546.61 1119.32 3203.24 1944 3495.81 4506.13 1387.8 1343.1 5875.27 724.93 1333.16 5113.12 2168.03 7542.93 4004.25 853.53 4127.45 3117.98 631.1 998.14 894.06 986.3 3187.71 639.36 1009.11 3480.77 5546.25 929.18 4357.54 1932.92 634.09 548.94 2198.13 2662.65 765.22 1825.24 1095.35 4423.83 3979.41 591.59 1250.13 10425.28 1192.53 3528.51 6719.22 3692.46 5783.09 4656.07 2793.25 2033.81 881.85 1801.61 3328.46 638.69 761.89 14722.43 1950.97 867.47 1857.87 5845.48 2465.7 2383.53 11474.33 7450.3 9733.43 3555.11 7927.72 6265.12 1975.19 2140.03 3002.79 989.7 3060.55 3040.73 4340.93 2692.19 3107.94 4371.41 5204.93 4435.9 2518.46 (10Z)-17-(4-amino-3-methylbutyl)-9,27-dihydroxy-6,10,13,27-tetramethyl-22-methylidene-14-(4-methyl-5-oxo-2H-furan-2-yl)-28,29,30-trioxapentacyclo[22.3.1.11,4.14,7.012,17]triaconta-10,13-dien-18-one 18716.46 14417.6 1129.39 3144.99 35652.03 6705.83 6902.99 48541.57 13556.7 4054.86 10031.77 23712.07 41407.15 21109.87 21818.16 7158.61 9623.49 31161.26 92699.86 7002.76 9965.74 1886.22 7978.3 4319.09 9795.64 7882.71 4893.66 710.54 3762.01 10326.26 863.55 11843.75 3320.92 8773.6 3679.24 54148.67 19064.28 836.1 6581.97 1900.66 1713.67 11842.32 9703.99 4749.26 63729.67 7563 18137.53 23021.95 22157.04 18044.75 57817.98 23882.27 119220.49 16034.44 27821.69 11236.17 6104.75 7105.75 29654.56 6196.61 73072.29 40011.67 37652.54 16219.09 10664.82 34814.3 6130.8 5943.87 8973.25 96820.39 17545.53 6895.62 15618.72 1129.72 10976.68 17671.63 17923.15 18073.71 17709.6 19175.66 17762.97 17884.02 17114.48 17694.63 TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) 11891.32 4224.21 3712.24 1746.65 6701.39 980 3146.79 10290.71 859.13 6289.91 17684.17 29523.62 14242.43 14343.43 3283.67 9023.58 4049.4 5189.58 8933.02 5940.07 5132.06 2290.46 1611.13 4295.11 801.18 1646.74 2374.99 6589.37 2668.14 7010.45 2678.71 16486.23 368.01 2076.54 2727.13 641.47 3909.1 576.63 6054.4 4089.2 3812.17 15597.51 9092.91 9126.32 2524.4 17212.76 5376.54 12308.67 7991.4 30556.57 13789.37 8869.37 10424.85 22113.39 16746.66 2683.65 889.66 571.99 3269.93 1421.26 5145.53 6767.57 6678.03 7947.88 9995.37 17882.75 8749.69 5866.51 11990.53 6132.4 1135.25 4825.32 30936.47 8713.3 12668.57 11410.66 12151.7 11640.3 11579.21 11449.34 11452.4 11633.21 11449.82 11525.69 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate 8337.91 7201.5 5397.74 15219.49 2889.96 3322.15 5739.89 8579.69 8368.82 13396.92 3236.52 11140.81 1579.05 6752.84 4048.8 7350.86 7112.8 2230.48 18085.07 9812.18 7968.54 6341.3 4974.14 11361.51 6745.91 5122.45 4977.04 12453.1 10168.55 2190.35 5044.65 7264.75 4480.03 8659.62 9092.23 7514.51 9545.74 2070.34 20503.08 7444.13 6341.28 6454.08 14213.54 11563.67 11017.86 10175.65 7534.15 12561.27 12189.7 8154.2 6601.22 8036.82 13744.65 8226.98 7410.7 7250.05 4700.42 7262.36 8655.37 3780.52 4418.35 9992.22 3785.21 11605.81 10131.09 7559.21 5873.2 6893.92 10279.56 7844.65 3114.5 23469.76 7365.29 7648.36 12430.5 8870.93 9168.87 9210.86 9169.06 8850.82 8855.96 9171.07 9183.28 7071.64 DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 4178.32 9981.6 84925.85 13207.76 26236.1 42303.92 172289.52 7229.42 7143.23 11774.12 4199.91 11816.49 32522.67 13406.11 10786.15 31437.56 34264.12 10474.34 15295.41 10094.65 6491.43 9087.55 39436.27 25531.65 1642.56 1939.64 523.73 3004.71 10084.21 683.03 667.02 9546.34 7500.18 12821.67 3972.75 1617.58 3258.67 1669.1 14580 2240.74 29272.45 3826.22 8834.14 11961.24 7431.81 23945.3 7872.83 8269.57 10256 17224.52 6289.97 13071.19 10103.36 9389.68 18103.84 4417.05 56090.99 8597.72 13026.69 6832.39 67182.67 23744.94 3198.61 7321.49 5543.27 11596.53 8395.07 11287.7 7997.47 13271.5 8728.58 1178.24 8934.22 7511.45 19562.67 31753.91 35858.82 31779.69 34787.5 32666.37 35028.75 33507.64 31678.64 32064.54 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate 8470.7 17610.73 23761.48 18950.95 875.54 1070.5 1002.76 3324.14 6134.74 1796.59 5949.47 11588.27 7673.65 7952.22 9900.05 23214.76 21787.19 3526.21 11687.99 22486.68 14714.51 2988.76 8892.93 15828.81 7324.7 1774.57 2763.13 2215.48 9797.98 13987.71 1256.38 11398.65 11021.76 5444.04 4296.54 17118.22 13557.39 810.71 6799.8 7616.86 1131.96 7487.03 8260.69 4783.65 8755.89 7644 12120.85 13781.84 7543.86 26163.17 1463.84 7851.03 4170.68 21765.38 13133.29 4408.94 4786.3 8881.68 8563.35 7616.69 2489.99 1202.19 3269.34 16300.21 26476.63 26779.22 12776.16 14687.31 13574.88 20363.67 11554.65 10031.68 72083.26 23082.2 22266.78 11000.54 11110.65 10535.64 10422.82 10351.43 10682.33 10368.08 11004.42 11114.11 (1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-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]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one 5805.12 4499.3 3209.18 4655.06 9872.35 331.95 3130.5 16678.95 9487.9 3840.5 10744.69 7084.35 17795.77 6218.94 16780.52 12826.72 8148.29 13536.74 20704 12467.78 7723.41 1262.25 5874.85 6657.55 7735.83 1735.71 4016.05 6920.49 4991.13 4390.48 4863.49 10240.57 1931.81 1386.3 2820 7872.95 7192.42 759.39 5241.15 2447.5 11122.47 13890.77 7094.71 5992.06 13064.9 9017.33 21446.75 8427.61 4469.34 16336.46 3017.12 4295.71 9088.51 8765.1 17030.75 6344.64 7120.87 2023.39 11335.76 2350.88 11818.54 17176.1 9826.98 9156.33 12405.79 14239.8 4042.9 7191.45 12224.31 19131.81 8711.86 9449.42 7771.07 6409.37 9441.28 12403.88 13630.07 12299.19 13392.34 12619.43 13329.07 13366.24 11500.64 13500.15 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside 36727.82 2685.92 1333.28 5763.2 32036.57 8893.51 2388.72 113177 37803.74 31326.06 16380.21 61934.92 9590.09 30219.64 42129.62 28693.06 51895.79 168678.75 63799.18 84303.89 38977.86 12469.47 966 8067.79 47086.64 7432.43 1084.03 15431.23 90680.2 25170.06 40320.75 53437.8 17362.46 8482.21 1517.73 78061.15 56321.59 1249.37 5778.09 3112.2 49259.72 84963.06 11056.7 14893.58 89672.75 10844.5 93682.63 27258.48 50392.66 82640.39 27090.5 20061.09 2923.48 4036.08 39409.45 5016.83 3935.45 6547.08 68217.02 9343.18 4737.56 11420.44 13364.61 16859 36669.9 37615.95 15932.39 27220.28 25168.55 67875.94 22063.91 22274.08 63517.22 2591.7 10642.86 44538.92 45226.3 44648.37 44385.06 44937.28 44389.14 43442.89 44362.58 44960.4 DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0) 9657.4 13738.1 3437.34 2502.55 7545.3 6920.33 5454.08 28193.9 28212.33 15127.69 25707.55 2860.27 8051.09 11582.92 17998.82 11669.92 7446.57 3529.77 21078.54 14576.97 19626.12 6641.38 11358.1 17653.06 8635.48 9941.66 16013 7436.07 2169.62 7173.89 6513.07 14361.51 26308.75 13297.28 9088.16 13428.43 14807.3 1046.38 6824.16 9848.99 10442.23 10872.54 13557.92 6583.56 14135.54 6715.17 22223.34 18231.03 16914.52 20019.01 7490.02 7325.04 14422.67 8016.46 20866.19 14638.9 905.22 2985.99 14408.15 4822.12 8636.93 1864.99 18119.31 11712.56 1655.45 3863.4 8551.43 7684.06 12937.64 20219.31 40880.6 18645.37 12480.42 12955.13 18139.65 14880.5 14142.46 14923.01 14503.89 14975.87 14854.83 14059.85 14855.08 9886.47 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 3664.08 835.39 15918.21 5910.25 2714.19 1365.8 5688.13 6506.31 7873.25 1761.1 1315.48 5124.7 1160.11 901.98 866.64 13510.06 2071.99 4996.33 5677.82 1689.82 12658.81 1856.61 19005.31 4950.13 3561.2 2140.21 2757.08 2425.33 4959.67 3026.57 2327.65 477.56 16439.66 4490.19 3288.48 7902.06 1652.71 790.28 1430.6 3132.79 1162.32 3578.43 10416.23 3533.72 820.5 1928.62 9204.85 10293.58 20908.66 4230.35 1606.76 9268.29 12367.8 7661.32 18776.88 1161.7 5852.47 2592.79 4905.26 3480.33 6140.44 1439.49 19385.96 23087 14941.27 6162.82 2295.34 2366.54 307.59 13222.48 1750.92 3722.39 8585.34 9128.31 6864.24 7818.2 7971.06 8055.9 8107.44 7984.18 8483.09 7979.32 8042.92 7963.94 (3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol 10855.21 4163.05 6518.55 7658.8 732.35 19202.45 8870.1 20671.64 3668.81 16296.36 15650.85 18921.44 19599.81 16439.54 12229.55 21316.94 11514.51 7857.47 26299.65 1359.96 2516.82 4268.61 14165.33 4495.99 1184.14 2665.8 7729.81 6199.86 8962.41 2486.31 2027.23 13252.29 3505.78 8276.8 4481.79 10331.62 6240.5 2590.92 13927.81 5215.07 2207.27 7525.62 13788.73 10002.2 13927.06 2556.06 13385.89 10056.33 13465.46 27977.11 7689.04 8157.67 9641.94 12864.06 8481.82 5354.54 6780.09 4718.87 7727.26 916.33 16467.45 19374.88 8054.63 17263.73 10495.62 15102.88 3017.48 19110.5 15187.43 12313.65 4966.46 16168.2 13722.02 15603.39 21847.45 11181.18 10991.34 8941.54 11151.15 10587.83 10848.52 9450.92 11198.95 11201.55 DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0) 3862.09 7032.34 5899.04 6860.56 2744.42 20803.7 3700.47 1475.16 3475.83 28507.84 5242.92 14196.68 3165.8 3151.53 3081.96 5072.97 12499.29 7583.64 5050.59 3357.15 5912.9 25110.57 7804.88 8965.88 8433.07 13703.38 10309.28 10564.06 5164.68 27585.87 21189.41 8162.57 27573.76 20088.4 5276.94 5218.91 10723.25 29509.21 1822.52 8863.79 3989.75 2559.85 7226.21 21922.11 3499.18 19013.02 8112.1 13716.15 7398.99 8834.59 27448.02 7295.54 6327.67 5476.12 3726.83 7227.08 4266.29 3991.97 737.25 18787.63 7864.28 3063.26 1759.54 10103.71 14197.63 8069.08 3770.17 3836.68 12215.91 2046.28 14436.9 19622.45 8410.11 12697.87 3455.04 6464.19 6872.14 1740.21 6248.19 6540.43 6092.3 5940.52 6325.19 5984.17 Tryptophylasparagine 5917.8 3521.31 1384.5 10867.41 2579.25 2734.35 15616.12 13929.68 6418.37 3437.05 6420.85 1656.72 2162.91 5920.34 9823.2 9746.25 4245.49 14201.24 958.12 854.99 1056.21 7654.27 1793.12 1572.28 972.39 2464.34 2403.77 2071.79 507.65 2324.3 3895.27 2008.45 383.65 2007.38 3537.7 3168.2 1295.11 2197.23 8177.24 771.76 3829.67 3291.5 6032.36 4872.34 3581.05 15322.89 13210.22 5997.61 2975.5 3549.67 4880.72 7900.55 6842.47 9827.95 10665.26 5325.33 3839.14 5096.36 9261.96 4879.14 5693.8 15163.71 8091.06 15067.79 4779.04 11459.22 3179.37 3965.64 6032.92 11281.53 7325.67 4850.17 11781.48 14705.14 20207.72 6158.13 8365.41 8072.26 8592.09 8352.56 8339.75 8357.51 8059.97 8187.52 TG(10:0/18:0/16:0) 7303.55 4730.86 52006.06 10669.33 4591.16 2351.2 5570.63 6916.43 3590.69 8517.45 5759.66 9738.26 7590.86 5221.84 5220.57 5900.28 58560.51 3780.82 10145.3 3670.81 5671.43 6202.03 5381.65 4600.48 4494.99 2678.06 3511.67 3388.6 8570.59 4430.87 2213 3859.52 19194.82 4715.39 7370.98 4428.52 4329.84 687.14 4393.94 3212 4745.36 5367.74 4200.47 4801.56 5652.71 5425.84 6799.5 9067.1 6646.46 4394.75 8777.91 4085.69 6529.04 33778.36 24517.28 4864.46 11382.23 5146.54 17302.97 2780.36 9679.33 6547.14 4666.33 6404.24 5194.02 6898.19 3533.86 6186.59 5222.3 4961.18 1683.49 6712.66 5000.29 19592.5 6482.46 8689.31 10004.82 8809.18 8896.33 8681.87 8808.3 8675.6 8942.11 8108.73 DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0) 14873.66 6481.96 1279.69 4685.78 2721.86 10078.08 2295.41 9644.8 14615.73 6633.88 5265.45 3264.65 10402.87 8168.14 11470.08 2796.34 1585.55 1677.46 10476.29 10768.96 13208.77 447.51 5715.59 7093.83 15393.84 8277.05 5916.75 4646.32 1501.01 1470.68 1032.97 948.39 704.23 8607.67 3402.25 16598.02 6356.56 1040.76 8203.09 1676.31 3299.79 10704.99 3998.43 3713.46 17953.08 6344.18 9811.15 3142.56 7064.36 2970.03 10140.36 4580.88 2450.5 6703.96 12100.57 8289.89 4884.99 7049.73 7169.93 1737.55 10468.15 4235.98 14052.05 1849.63 718.9 13727.78 11848.33 7751.38 1532.61 18224.75 12877.83 10761.69 5583.29 797.94 3106.39 10228.73 9804.59 3449.78 10235.35 10002.2 10185.35 11949.92 9338.65 9485.16 Charine 4595.85 5527.39 3604.22 2566.46 11561.22 678.96 3843.86 5111.4 4108.5 2599 8179.64 2176.58 6046.79 5163.23 8680.32 6191.67 7573.27 1861.32 1496.74 1055.76 2730.53 923.59 3878.38 5745.26 1428.03 1196.77 390.54 2571.92 2306.75 3655.38 3354.39 3979.76 3919.82 3719.58 426.29 1784.89 3241.68 2382.66 6711.08 3186.79 4666.16 3241.91 8978.15 12235.38 6808.12 8419.61 7378.94 3884.36 2758.07 5267.81 6354.64 7600.68 7548.49 7441.22 7193.83 8579.7 4264.44 6645.43 8646.57 10105.36 9691.54 6995.54 9085.72 8956.63 11919.73 3693.31 7195.33 2790.01 6503.07 6745.05 8141.12 4442.68 9568.46 7412.43 5110.59 7780.29 7624.9 7059.41 7800.33 7634.56 7624.03 7673.41 7793.61 8112.94 TG(10:0/18:0/15:0) 1395.86 2391.69 5076.59 7501.7 5400.79 8700.65 17331.03 762.53 1334.03 1626.34 8511.07 11881.75 10304.41 9090.3 1599.3 14049.26 6854.87 789.34 3831.01 2109.99 2926.15 2738.93 7526.39 3681.3 1553.3 1246.4 875.61 488.16 1956.45 1750.93 1021.97 6793.8 635.17 3370.59 5600.26 1289.26 1438.67 785.23 3517.32 1454.73 2814.16 3304.49 6310.6 9656.04 1003.98 7172 587.45 7811.19 4914.99 11410.68 2185.35 2347.57 3003.96 11002.05 496.02 2730.39 5795.47 1612.84 1771.14 2083.75 9761.76 10464.89 1069.14 11135.59 6037.2 4248.7 2600.19 7730.88 4538.56 1488.66 623.28 1189.06 4916.12 6632 10574.12 6652.5 5619.95 5500.47 4867.05 4669.13 5300.83 5080.33 5477.15 5503.28 DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) 8152.13 7312.1 9361.82 9308.19 13741.79 3673.7 13261.3 14483.07 17213.93 19273.63 10505.14 17977.46 14606.91 18462.08 12938.46 17360.75 17853.54 11199.14 18118.04 20040.34 9263.51 8343.09 4615.12 1434.2 3498.93 1576.14 2174.54 1271.57 7888.34 1603.87 1659.9 12697.68 5230.78 5718.99 8425.63 4393.9 6409.14 2849.86 3814.34 7065.26 13028.89 11168.11 19682.72 2945.89 8898.14 27157.22 14149.61 19645.28 19723.07 12172.38 25661.78 18868.65 9076.91 13107.34 11868.1 9841.63 19355.74 12319.77 12671.71 1075.84 17542.8 15452.73 14028.39 16021.05 15447.66 17692.18 14215.26 22780.26 15700.21 11624.49 15274.1 16979.71 13967.36 15465.22 12494.8 14213.82 14513.18 14523.82 15116 14790.88 14791.82 14316.45 14302.1 13499.03 DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) 91355.11 38679.89 4931.52 29924.28 28416.51 10234.44 45499.57 78949.06 146664.16 69947.69 126669.59 22576.39 29344.43 48902.86 93194 39222.53 27152.49 37565.82 103238.09 87901.84 23360.86 18186.49 8695.27 19746.81 18459.3 12960.64 6430.11 13360.78 5097.68 8811.2 7262.53 23962.89 7297.38 20407.61 14441.04 13959.16 34129.52 2898.16 57717.78 12263.12 4808.13 51900.07 24355.29 70262.1 112481.77 50333.63 96754.73 17841.72 33835.37 91211.82 64867.73 2514.4 17877.86 6550.61 71099.66 42844.99 3424.35 16762.77 41901.23 21612.5 75619.02 41436.24 92087.48 26036.84 20081.39 88539.69 65596.51 61328.99 31617.82 104468.52 200038.13 129047.3 56857.15 66939.49 144476.75 92017.74 92905.21 91949.83 91955.52 90831.72 90766.71 91032.33 86508.33 90744.77 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate 101088.47 95669.54 91053.52 90890.16 104058.56 72705.45 94195.3 131941.64 132304.72 125325.01 68213.95 162395.53 146872.23 112156.97 114737.46 105174.85 90596.54 142633.58 154693.56 101861.02 72308 66478.34 93425.23 85592.03 103682.54 70128.02 71545.06 88827.2 108067.68 56768.81 52401.64 94893.31 88832.77 84314.79 89729.53 117815.92 80898.76 21235.27 99303.92 70065.47 89480.85 94214.4 105625.31 97264.34 139387.02 83036.14 136326.19 133923.27 71007.04 109758.6 81766.54 105946.06 104348 78093.65 96791.9 103989.16 82562.9 97098.91 109440.88 69688.59 101631.89 128505.69 119195.44 94585.11 111894.07 127545.24 80751.32 138995.07 117378 109021.02 87916.85 98772.49 59908.26 85590.21 87029.91 111459.74 111996.79 111566.23 110701.44 111067.52 111584.28 110682.43 108116.26 110695.9 (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid 7266.07 5354.13 1144.06 2289 2569.96 73488.16 20416.64 1724.67 1937.77 39244.72 6551.33 1174.77 2521.09 442.52 1499.32 281.79 5491.49 611.86 1362.03 1322.61 570.28 14317.69 355.19 206.6 2324.04 19031.42 630.74 3773.37 876.26 134.26 216.35 3750.38 7253.75 5138.83 3241.46 2114.08 773.27 10333.81 596.57 184.52 893.39 7483.06 175.3 4361.81 600.3 3803.61 572.4 432.53 357.34 168.95 7950.3 698.73 160.69 2991.3 3021.98 6323.44 134.55 3549.02 331.4 31858.5 359.31 691.04 1370.51 4794.99 258.82 7258.46 4148.71 3606.45 5114.91 4342.31 8760.56 29661.97 430.88 671.77 262.3 9520.29 10123.63 9732.57 9759.83 9356.8 9543.37 9803.05 9811.88 8629.78 TG(10:0/12:0/i-14:0) 23510.13 30452.57 66767.93 38631.31 29543.71 13311.46 23797.19 41445.25 22992.22 15260.52 23576.79 31716.54 7794.57 24492.32 47209.59 38924.64 103877.14 34142.34 57028.02 30972.15 24977.34 6292.51 21325.31 14550.6 15842.71 10072.7 3975.49 5765.56 22486.72 20420.82 591.6 22754.28 65034.51 4112.79 12437.05 17176.04 21094.47 1220.03 10249.31 7632.13 9378.48 16129.82 18376.57 20179.86 34721.11 20139.18 37087.06 50377.76 11130.84 22621.15 24585.63 39193.09 29027.75 44694.83 69932.39 29640.16 31026.08 10727.62 79795.63 11008.3 35104.14 21524.82 51636.37 85118.57 49136.84 26915.29 20166.61 11849.29 20520.28 53106.21 19299.35 22697.33 25436.08 56562.81 28592.07 36081.34 36379.87 36658.57 36232.07 36271.42 36089.2 36458.87 35066.24 36515.58 TG(10:0/10:0/18:0) 2119 2587.57 1986.74 2368.06 1153.17 1272.92 3070.95 3307.31 2034.37 4685.82 3126.9 3142.4 1418.47 1827.84 936.49 1329.62 2701.48 1861.83 2135.4 1906.15 2268.15 2711.53 2900.02 1828.61 2083.77 2073.31 10564.31 10959.38 817.31 2155.4 3206.28 1307.78 1562.53 3058.38 1161.84 1163.06 1543.81 2601.21 1655.23 3116.35 1721.49 3870.35 5712.36 2975.96 1955.77 2246.71 1724.42 4203.62 3777.07 1510.35 5498.78 2759.93 2745.51 1787.01 2023.85 2387.79 3620.7 954.22 2209.53 4121.86 2573.68 11564.68 2054.93 2120.09 2370.35 2917.78 2105.14 4775.84 2048.44 1358.13 1540.08 6647.39 3469.27 3795.94 3762.8 2312.85 2305.49 2249.41 2000.81 2318.07 2244.68 2320.9 2312.64 2243.77 1-(11Z-eicosenoyl)-2-docosanoyl-sn-glycerol 13196.82 12803.82 29931.66 15651.01 2180.36 2953.6 9777.53 24638.59 14194.15 23011.53 24968.74 28015.16 9304.18 17253.75 8209.4 11836.8 34545.27 5386.79 48502.09 12920.26 15394.78 11246.36 30339.3 28062.62 17921.5 3530.24 17864.38 36581.41 7627.61 12779.57 4122.48 2054.31 5996.97 17700.32 17178.15 14043.42 3910.23 5109.94 25822.18 19128.9 4992.08 4628.69 13632.38 19221.37 15245.46 9697.44 19538.32 21212.17 14468.71 20385.54 20492.56 2727.31 45687.82 26598.22 10470.05 8687.26 26845.01 9245.91 8419.35 10023.76 23407.84 39493.97 16299.16 38900.37 36605.8 13780.88 9530.82 80540.36 18558.34 16973.98 11339.83 45026.21 28074.46 22495.9 30503.24 13824.46 13800.66 13788.73 13514.39 13821.42 13821.57 14008.51 13689.87 13684.78 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate 29916.33 19779.25 12592.7 14880.2 8982.17 1434.12 2877.09 40077.41 45987.98 11058.41 36751.42 53299.99 26960.9 20179.74 27238.6 48226.19 58822.82 12127.65 110288.13 35795.88 29148 7957.81 18896.71 27032.34 32175.38 3735.94 11574.67 8915.82 106911.35 9843.78 7706.59 16100 37988.87 6131.58 17716.79 20588.86 25844.54 1505.48 26865.52 20284.97 13504.07 18278.66 34283.44 17326.13 12005.69 11774.15 55942.45 51437.28 36503.46 52574.08 18496.43 40115.88 38039.56 42166.2 43349.42 26239.27 7033.85 4150.92 36144.56 2933.86 28901.84 22563.6 40173.09 42204.4 42721.22 47382.88 12544.32 19813.03 13949.27 43555.14 27598.17 46648.48 51251.31 27633.85 21173.37 31562.56 27505.78 32518.96 32247.18 31204.25 32519.13 32324.13 32417.03 31041.12 [(2S)-3-hydroxy-2-(14-methylhexadecanoyloxy)propyl] docosanoate 3493.23 3409.2 3697.37 8953.23 614.26 3013.82 5712.12 9344.85 5196.68 3790.73 2141.96 7925.63 6968.1 4324.64 2081.82 2409.67 3583.73 565.39 8432.2 3212.77 8531.4 9809.28 10077.65 5919.09 6920.06 3785.79 13961.32 14721.92 7906.65 4603.21 4126.22 5816.39 3588.51 5121.88 2301.86 5413.64 4216.09 1482.66 4968.86 3760.44 3173.6 4626.86 6550.35 4338 5662.93 3691.28 4550.96 12309.38 11484.78 6617.58 1439.06 3058.59 6634.68 1549 2363.98 2548.56 2873.11 2442.18 4592.94 1415.01 8278.62 13599.71 3799.85 5918.98 2640.89 6403.7 1642.42 13145.55 6589.13 6153.45 4911.56 11878.07 5436.12 4477.89 4022.01 4019.21 3788.92 4247.51 4351.41 4197.89 4211.03 4189.74 3756.59 3923.03 [(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate 8212.76 12110.16 13045.63 26386.95 22970.42 28754.71 41960.54 14792.7 6507.24 29912.35 48115.87 43410.12 48833.49 32063.28 25605.69 38762.9 39013.81 9231.05 68198.37 10726.51 12212.6 9527.78 21676.9 17055.94 17443.45 9832.39 15450.92 20299.32 6772.68 19713.69 10804.99 33708.28 12050.64 16803.12 14607.84 4411.89 19494.01 3828.58 28059.76 12833.5 13885.52 30040.58 33645.3 28704.18 18059.99 44840.72 12161.5 36099.76 18692.63 38805.64 9214.88 13473.42 29883.87 34418.35 12849.71 18073.66 9669.98 12473.12 17732.57 5148.82 23530.74 26326.35 15615.86 38759.93 35228.36 15917.99 19748.11 34874.32 33359.79 15375.14 8201.43 39998.76 33918.34 36524.91 41238.11 29219.85 29230.88 30872.26 29821.48 27609.42 29851.28 29564.14 29872.41 29746.56 12alpha-Hydroxy-13,18-dehydroparain 7981.55 4489.76 1121.46 4674.23 1626.22 2115.77 5997.34 5598.18 6913.5 9328.38 1196.75 5333.16 9396.74 7393.14 8740.42 2002 2907.92 9692.07 16664.87 8622.11 1027.18 790.17 1031.16 460.75 1042.24 1227.6 791.23 868.04 6460.6 1161.64 2695.93 3275.03 469.54 376.01 1107.84 1374.2 625.06 354.91 616.99 642.6 1924.06 7233.05 1150.74 2047.86 11889.87 5207.87 4954.53 375.95 821.42 5645.73 3717.1 3135.35 1306.98 1702.23 2121.18 1517.71 657.95 589.25 1160.13 264.6 468.16 820.22 2339.1 963.01 1056.08 4863.06 11731.63 1646.49 1314.01 737.13 2630.9 1526.96 781.63 1133.91 1175.08 4156.4 4279.74 4273.44 4193.69 4276.2 4646.29 4156.59 4223.19 4159.22 (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid 7993.71 8237.47 20280.36 10795.37 11936.75 108442.8 56332.95 11003.24 14120.38 81314.32 14699.99 13666.21 11915.87 51019.47 13124.2 16081.69 11600.73 6574.82 15885.74 71766.65 14362.32 73858.58 18130.21 4269.18 8548.85 14373.94 2718.61 6294.1 12833.12 5695.28 3917.53 11499.64 12143.28 65401.32 16319.36 4353.77 8577.56 4708.97 4446.87 4426.51 3264.31 14311.76 7363.92 12716.76 19330.96 13633.11 15376.39 11854.04 15943.73 22744.98 13075.13 11098.06 5529.63 9486.26 9869.26 6981.7 23973.69 36834.08 9193.2 101218.08 4753.43 26316.49 9580.62 29062.54 30020.81 12864.39 13418.57 7429.66 7167.67 15750.39 17823.73 35720.39 11288.49 39840.03 11643.28 26999.31 26897.76 25739.05 26900.4 26131.24 26807.87 23743.8 25821.76 26260.76 5,18-Dihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone 1851.12 4039.09 1930.8 2680.07 1641.42 1913.31 2781.86 1736.14 1962.77 6310.22 2123.62 3036.19 2072.99 4161.07 5467.36 3178.03 5757.51 3601.26 3269.99 3798.68 1282.59 7124.19 2746.47 775.21 4835.12 6593.93 5621.08 3548.23 4334.96 1986.96 948.58 10164.96 4024.12 1366.27 2019.88 5735.8 5165.31 1041.06 694.51 388.4 822.61 2022.06 3489.56 814.51 2592.32 2607.32 1726.86 4189.49 7138.52 2319.31 1133.65 2939.28 2662.58 1327.14 5223.86 5188.16 2344.98 961.44 10630.96 5766.39 2771.08 3072.64 2415.39 720.19 564.05 2749.9 3353.68 9391.57 2494.61 6392.15 1124.67 12328.46 1245.36 1756.49 2716.64 4006.75 5691.7 5375.96 4162.17 5232.09 3778.62 4650.16 4482.28 4169.19 TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) 6910.67 2682.87 12132.08 1006.84 3224.3 2213.22 664.58 14477.89 2346.77 3054.64 6040.59 24097.29 21296.86 6217.69 6600.07 9010.32 16631.48 3698.33 52901.87 4970.61 14441.52 1069.21 9235.47 4024.84 3756.16 1199.89 1398.7 2071.74 2867.82 2876.87 1024.65 9787.51 2783.46 1421.01 915.41 3016.66 10395.17 600.42 5954.28 1989.42 2480.84 9080.13 4355.32 2578.12 4269.85 3031.96 11826.98 37106.23 20684.7 12768.79 7127.86 9788.33 8696.26 14930.88 50432.31 1688.06 9343.69 989.96 14660.69 7522.29 7133.06 18054.31 3783.96 7579.41 5833.37 19284.26 4382.32 6502.61 3673.96 16934.51 6403.61 9218.91 24660.78 19437.36 12416.33 12897.58 11588.63 8990.95 12550.68 12073.29 12940.48 12734.59 12888.73 15614.9 (1S,12S,13S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde 4348.77 555.77 703.99 1368.07 13927.2 930.34 5059.38 13020.27 3592.25 367.32 1416.76 5436.94 709.83 2101.22 5221.48 1088.96 467.29 682.86 4175.61 1964.04 2858.13 1354.89 1637.54 1434.66 3253.64 1842.41 359.65 1292.41 1277.67 968.14 1564.45 2061.46 2403.24 969.24 574.34 519.48 7404.91 636.56 1342.05 1056.18 2419.03 8432.18 2335.52 4634 7291.53 3696.3 1254.78 5561.14 461.36 1239.43 430.3 3502.73 2665.87 3357.22 8712.65 5848.97 903.32 2765.87 9196.68 4890.2 1866.93 2337.04 1122.11 572.54 2065.6 8581.86 7090.46 1738.35 2312.85 9257.48 2596.63 2590.39 2815.54 1827.55 3387.8 2684.53 3066.77 2484.76 3183.43 3134.7 3068.95 3115.09 2436.24 2830.98 1-(13Z-docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 5691.62 17550.24 5186.29 6960.74 1466.12 14711.37 8819.65 9958.74 12732.86 8629.99 14005.42 9224.34 3004.33 8260.13 11650.87 12262.2 2822.95 15676.26 7173 17446.95 10574.13 8393.29 5477.35 6751.57 7170.84 10520.97 5280.41 6771.86 4120.65 12598.37 6382.18 7685.84 20906.67 7171.47 8833.05 5733.7 10930.13 3993.97 9868.3 7587.24 16575.9 4472.01 14137.21 16210.48 11642.39 3822.9 17508.58 13891.55 4455.72 7933.39 3589.08 13057.59 9815.69 8743.43 9586.05 20117.98 11252.53 15846.26 18373.76 20858.88 10747.3 8941.71 12905.93 17095.39 17184.77 4568.7 22027.61 7859.63 12612.02 15286.99 18754.25 9774.22 10254.4 17023.24 13296.58 11509.05 11155.83 11418.17 8885.15 11503.53 11527.27 11165.12 11154.15 11502.7 TG(10:0/12:0/a-13:0)[rac] 6700.89 7201.67 16614.07 4048.24 1776.48 2277.8 21230.13 14628.07 7201.24 17815.67 11456.65 15308.76 3243.56 5148.44 3475.49 6908.22 16252.17 10431.16 6327.86 5804.09 9347.45 12932.84 8897.78 8800.59 8326.19 3710.62 44586.17 14571.57 1999.72 3268.69 16901.74 582.63 3921.49 11957.16 8488.36 8872.56 1789.61 21569.86 4504.33 18085.17 7449.19 8890.18 3494.59 9853.95 6887.53 3869.32 3624.56 6946.94 7034.03 6872.68 15332.51 866.49 17383.34 8995.87 3867.98 3334.44 23688.81 6034.31 6013.88 13079.84 14421.37 37418.23 10860.47 9969.45 14416.36 11447.79 5035.42 27369.47 8175.67 9042.73 8513.71 21506.68 10497.46 12908.2 13295.73 9207.61 9044.71 9208.46 9281.72 9046.46 8960.45 9358.38 9131.26 8656.56 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol 11102.23 9115.26 17525.28 15411.01 18729.42 16911.15 18194.94 26934.59 24580.29 15030.36 17112.33 20619.97 17131.19 17448.17 34786.19 51308.82 66742.95 23977.39 4439.24 29176.1 19758.84 7982.33 11435.98 12112.74 11871.91 5080.13 4996.32 4313.55 7067.25 8299.71 11456.82 9526.23 15675.79 11388.32 13044.43 8969.71 8895.64 3189.29 10770.28 8735.57 11470.76 12085.56 10248.1 13720.66 18204.27 15146.21 21208.93 18473.52 18260.33 23954.13 11878.08 11950.18 9858.92 7930.14 30926.88 11139.22 14067.58 12616.94 29123.57 12061.86 12699.94 10312.27 29006.52 13513.71 7907.98 14154.62 30076.43 11265.83 24014.21 22110.98 35908.88 3299.7 19420.68 22586.84 18317.6 16821.58 18535.2 17916.99 18628.26 18902.61 17616.54 17980.73 18498.48 18550.74 11beta,12alpha-Diacetoxyneotecleanin 691.77 3532.42 4900.61 4636.76 1852.04 3425.67 5602.54 4653.7 4865.91 6117.37 3295.05 5919.45 5060.16 4396.63 3183.97 4261.91 6723.16 3481.98 6509.52 2676.05 3446.11 1885.85 3845.31 4676.22 3071.57 3022.48 4006.62 3717.33 2985.47 3942.39 2210.04 1665.52 3136.82 2775.5 3421.98 3048.55 3365.26 2860.56 1482.12 3875.57 3467.35 3072.01 3394.7 2724.81 5040.7 4882.87 4439.31 4806.4 3806.44 3712.47 4733.33 2346.13 4625.42 3544.94 4361.96 2467.68 3104.14 4360.09 3277.06 2166.56 3442.18 2905.06 3937.84 3465.6 4635.05 3633.88 7063.7 3303.6 4938.36 3305.7 4776.83 5250.52 3660.12 4886.95 4308.45 4047.63 3823.28 4061.93 4193.76 4070.96 4200.33 4061.01 4194.9 4359.22 Ser-Glu-Val-Lys-Met 3625.27 10779.26 14071.61 10346.77 17552.97 8875.07 15037.07 22308.43 14605 14204.08 9054.04 9247.94 11332.62 22482.38 5022.19 14592.49 14241.91 5695.89 7765.88 3020.57 10098.79 6903.65 1512.39 5548.39 7519.83 3127.31 2392.43 2894.86 3279.63 3821.43 10162.8 1125.06 2398.34 6908.91 6900.96 4324.26 616.46 7467.22 2409.75 8687.91 8945.85 10749.03 6592.5 8564.71 16507.77 11437.22 17917.42 5588.75 1227.97 4223.09 9969.74 3971.63 9834.71 9096.63 6142.32 12394.24 9576.09 16376.13 11814.01 11015.81 7222.89 9480.93 10154.1 14010.92 12022.18 4605.24 4726.19 6499.36 14387.33 11075.9 12637.57 6188.65 7363.03 6081.23 5799.57 8248.66 8304.51 8030.89 8567.95 7841.5 8820.14 8572.13 8046.74 5687.8 (1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one 3621.48 3376.39 19918.21 26922.72 41690.59 10739.75 22522.66 9470.76 3729.38 21568.59 6231.86 11098.29 4385.65 8575.52 5154.27 19796.68 11398.44 1066.04 15775.56 4263.44 9607.02 9589.21 9119 4553.58 9681.75 3567.06 8577.11 9582.41 4570.66 14951.85 1593.39 759.06 10066.88 6777.46 12427.59 2219.05 11349.12 2992.81 13543.88 5082.51 2479.88 2912.84 5104.88 19057.46 4846.59 12448.03 3965.01 7294.86 3873.91 702.06 6707.65 1203.95 3997.92 1568.76 3178.44 2925.25 6918.35 10436.36 20965.05 15871.82 17069.86 10596.07 8289.29 12139.66 10689.45 579.92 971.93 5981.14 6092.12 10853.74 10023.94 13514.6 10916.64 13306.08 10018.35 7030.56 7959.01 8044.24 7174.05 6109.72 8238.35 8848.04 8075.11 5920.42 TG(18:0/22:2(13Z,16Z)/o-18:0) 752.26 406.89 637.24 600.94 1349 683.27 1111.88 378.03 653.32 1368.81 739.55 1236.67 823.5 757.5 1033.61 1638.64 547.97 670.11 947.12 960.03 817.03 785.2 358.66 597.51 415.85 677.3 649.26 697.05 1569.82 697.95 708 515.96 576.66 504.44 616.75 620.15 721.75 529.43 395.7 677.85 736.15 1175 1166.25 433.46 1146.58 937.98 1203.93 839.71 1388.73 933.9 800.97 509.75 254.14 570.79 812.58 1194.25 523.19 1192.09 765.19 457.39 1702.28 944.1 535.51 1882.68 1278.01 1914.47 438.08 864.2 1132.73 443.4 868.56 331.07 757.67 537.29 1414.23 1377.26 1141.43 1351.6 934.99 1303.61 1192.47 1356.74 1630.03 1280.87 Val-Ser-Thr-Asp 13806.78 17030.93 20123.65 28114.47 10120.44 3975.8 17413.11 22809.63 16894.1 24932.87 12433.58 15513.54 15385.42 16087.97 18190.09 13833.24 24872.21 19895.16 24484.78 12974.14 14040.29 14459.89 11896.98 14994.33 14980.72 8645.7 8488.21 9579.63 16597.84 19989.64 13983.37 13755.19 12208.25 13175.34 15219.93 13351.09 13707.02 5976.77 10699.65 12448.48 19427.81 19189.46 10618.76 25378.33 19738.32 4927.16 20622.84 11161.41 13238.17 19554.02 8614.29 23852.81 16349.17 7008.65 19627.26 13718.39 14309.23 21838.13 21965.99 19956.87 22078.65 18082.7 15898.51 17810.1 17573.97 11434.28 16285.36 19644.69 12523.81 21691.03 17859.42 25443.41 19113.72 7628.97 19364.07 15517.06 16104.06 17342.88 15336.22 15346.79 16160.91 15530.99 16250.86 16246.69 Lys-Ser-Asp-Glu-Met 16879.03 21649.08 1661.06 5588.03 16051.84 27394.19 5083 12991.06 22093.05 1093.72 2432 1034.19 7684.3 7729.2 14438.76 7936.11 7311.63 27962.43 37689.07 106227.5 7958.9 1206.43 5040.24 3858.55 6469.45 6168.48 722.53 1475.84 14623.4 1428.33 5883.26 2570.44 11482.44 417.13 2611.82 791.39 11760.08 318.6 374.07 1932.15 15624.67 2123.61 12656.3 1112.68 10944.61 3550.75 106493.59 25467.24 7034.78 16025.87 745.16 18580.76 7828.93 2488.99 11646.18 19701.14 1369.46 1312.81 14515.63 5021.34 4306.97 5692.49 15906.35 13540.55 24155.59 10621.27 52061.97 3653.41 6209.56 17618.19 42255.39 9133.43 13296.12 11746.95 1645 18872.14 19265.33 18897.54 20155.23 18888.74 19298.12 18587.24 18393.51 19293.78 Z-Val-Ala-Asp-AMC 150104.89 40862.94 11621.19 21815.11 40402.93 21487.44 16897.44 98296.44 110124.38 160286.86 55874.52 90490.4 44251.23 60784.38 90364.88 52292.1 69747.77 60034.95 102172.98 59704.55 151731.95 40854.08 30940.39 17569.72 173581.12 137316.02 37011.34 118351.75 229447.14 126710.45 162338.88 76585.83 84298.65 21380.85 14759.03 202263.02 157048.84 12329.06 53881.53 32414.69 107936.93 132152.06 30677.98 44562.86 94514.42 44989.47 107237.14 11830.14 182112.92 74102.98 110686.57 54143.17 30698.65 44449.32 118012.47 56061.05 6807.96 10538.71 74178.55 29510.31 18721.09 26924.42 52655.83 43510.61 73058.11 98516.01 52536.91 142533.23 132449.66 105454.63 104847.76 147454.22 85652.09 39570.54 44922.6 85789.86 85823.98 85069.92 85811.7 85055.61 85798.44 85127.05 85793.89 83643.97 magnesium 5317.14 5852.35 2850.06 2544.37 2072.88 749 764.83 2083.74 4555.32 5177.75 4771.29 3691.34 3469.53 1184.83 4742.76 3990.4 5739.73 1653.84 3054.53 3593.21 2184.09 2063.46 3759.74 6657.47 9912.91 7476.35 6666.27 9991.24 3340.51 2224.11 5630.72 2961.24 5161.58 4492.78 4482.06 11130.2 12906.94 4370.7 12265.58 5211.28 711.01 1357.13 1343.26 5714.12 1561.56 1111.73 1042.79 1413.38 9696.19 2217.93 3859.81 3720.64 3133.31 3733.11 6094.85 2117.95 2748.33 2852.71 3043.92 4754.62 3697.81 3984.29 1456.61 4502.47 7073.34 2766.96 1124.03 6552.53 7667.38 3905.74 4056.76 5377.66 6859.77 5572.29 4222.03 3679.6 3396.78 3880.75 3881.11 3887.53 3747.98 3696.87 3590.53 3895.58 12-Ethyl-8-isobutylbacteriochlorophyllide e 4769.94 443.13 8361.75 3273.61 5004.96 7227.26 11641.33 7231.32 8855.04 10353.59 6766.66 9772.97 3178.9 10536.38 6986.09 10069.21 9959.13 5356.1 12192.32 1590.76 6914.8 4976.95 666.23 1520.06 2683.87 4132.19 3513.03 798.17 1054.53 3273.42 6745.41 2623.71 3710.7 1007.59 3549.01 2567.92 3397.17 5593.79 1054.76 5676.74 4974.27 7491.8 5020.44 3804.48 10995.23 9964.51 9898.24 4140.05 2836.91 4695.45 9721.89 3178.35 6966.14 4908.44 5404.29 6868.87 5141.35 7078.87 3489.14 8282.37 3946.11 7159.51 5461.86 6369.91 9829.78 2443.45 8174.49 9985.14 8811.65 7652.35 9494.23 7542.18 7138.04 9853.12 8348.46 8669.47 8239.61 8330.79 8340.96 8313.11 8314.32 8332.99 8482.23 8482.92 Leu-Ser-Phe-Met-Gln 11830.19 17325.04 22347.25 17332.64 20956.46 8017.67 12269.68 11411.21 20015.58 23107.41 16999.23 19820.34 7437.75 11316.53 14684.04 19607.98 25226.71 11502.14 26015.29 12636.02 18909.66 12800.87 10388.53 12799.46 11742.82 7141.45 11914.4 6441.94 10055.45 11409.13 16329.77 3058.11 8573.56 17134.08 12052.52 8798.22 8398.28 12664.31 6534.65 16678.26 10785.29 16735.97 15091.24 9079.98 20140.57 17063.33 17154.66 22983.57 20186.79 9320.08 19641.65 9727.49 21083.73 13966.04 4268.18 12360.21 19175.84 21176.81 19227.86 21493.58 24071.65 21732.49 24592.09 18532.29 23732.96 18335.84 12991.32 16435.61 16215.27 17237.16 22001.59 24423.85 20205.5 18747.35 22259.79 18721.81 18937 18842.78 18927.14 18496.08 16459.92 19697.06 19235.55 18477.89 N,N,Diacetyl-Lys-DAla-DAla 42626.02 51295.27 32400.58 58880.85 47236.51 35964.94 18084.3 12882.86 34505.1 45916.23 41137.65 35871.33 31479.83 2176.33 3605.33 34800.38 9178.4 20619.19 46688.26 24510.45 17203.31 17758.23 23160.84 20300.11 8313.36 1203.77 14510.57 22926.62 26207.46 27438.2 39162.96 19811.31 28823.9 24432.02 28928.45 11647.89 12894.17 16931.53 33948.8 18402.15 23145.51 30921.2 27603.33 53515.23 55365.37 9700.9 18082.11 20660.52 47485.02 26600.19 36208.55 43638.96 45379.22 23705.35 14530.42 30273.81 14805.88 26640.13 55568.9 27652.03 23499.72 34360.66 27513.48 3476.04 38472.93 16398.01 823.95 9544.44 17584.7 16005.42 39481.77 33901.52 4219.52 23149.47 15091.42 15354.37 16689.86 16293.11 14943.51 15311.25 15036.72 16297.83 15913.92 11464.15 (4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-8abeta-methyl-9abeta-hydroxy-2,4,4aalpha,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one 2636.87 6257.94 4324.21 5984.78 5774.48 2695.08 1528.29 4874.74 8190.14 3344.52 437.26 7485.9 10376.7 7318.15 3640.68 3002.8 1975.77 11119.13 10262.27 11484.82 3860.97 774.54 687.39 2192.22 1309.89 1166.54 1073.21 1541.76 7959.19 576.37 5516.77 8994.65 1191.99 951.64 427.04 4719.64 1618.12 626.52 424.55 1289.63 11939.64 6219.78 839.3 4046.31 15143.5 4429.98 11471.76 6558.7 476.17 11201.05 2490.94 2461.16 2208.11 1140.06 5498.3 6979.22 1162.67 1480.47 3463.03 1227.38 1396.8 1144.99 5903.64 1696 2959.9 7004.49 6011.66 3642.11 3735.49 7091.63 650.55 4411.38 1004.45 3538.33 1695.35 4315.19 4475.26 4207.13 4444.9 4472.48 3849.94 4473.28 4548.92 4492.29 TG(22:0/20:3(5Z,8Z,11Z)/o-18:0) 1322.07 2250.59 1959.23 640.95 1400.86 1100.82 1838.8 1793.04 492.29 2933.08 960.38 2677.43 513.24 3180.9 529.37 3682.31 1186.56 3118.95 2194.86 730.1 862.9 487.96 850.89 1252.87 1695.8 1938.94 748.83 871.06 857.47 1332.96 1955.24 466.22 993.46 664.2 431.01 932.51 927.8 1581.7 1244.48 934.01 1296.42 1117.97 445.42 1730.71 4791.56 1501.02 715.99 4472.58 950.4 3442.65 1437.95 1819.7 1329.63 1786.06 1403.95 1212.93 545.21 769.51 1543.1 1173.89 2133.19 1372.24 720.01 1122.33 497.34 7475.3 646.86 2721.62 3295.11 2388.16 1343.07 2007.1 1108.13 3069.12 807.89 1558.15 2148.26 1631.86 1618.99 1136.27 1775.71 1784.24 1615.65 1797.39 [(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(3-hydroxy-5-methoxyphenyl)acetate 1573.29 1292.23 3054.16 3336.38 2261.33 2055.94 1707.44 851.62 990.85 4759.64 1677.52 1969.09 939.62 832.62 1600.11 1524.1 2510.92 1554.4 4220.98 497.96 1336.24 624.87 395.15 1657.1 1068.07 721.22 614.75 488.2 744.16 1096.38 1173.34 1330.86 915.54 2289.08 1483.2 643.48 444.2 536.99 1197.49 597.99 984.91 2227.02 1462.23 1310.52 5187.34 1330.57 969.75 1390.01 1464.78 1490.7 856.63 934.44 664.64 2181.75 1185.38 2362.25 633.68 1259.07 1132.27 400.54 3236.44 1747.8 2136.85 1480.05 1507.55 1622.41 1183.14 1477.95 897.6 1232.36 560.85 618.92 699.09 2001.6 1621.16 1743.48 1754.59 1627.85 1246.3 1855.65 1707.2 1565.23 1787.04 1742.04 1-[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione 4090.78 3534.88 3637.9 13737.22 28201.62 124752.33 14383 4476.16 5806.48 581.48 4477.84 21574.35 16824.09 6271.08 6966.95 18854.51 8078.6 5973.72 7041.77 14664.81 2578.67 1775.19 1844.55 600.52 835.24 5875.65 1399.38 1670.96 1115.88 1294.27 3100.22 12700.29 5012.54 5288.43 2210.6 670.64 436.68 2778.7 2729.1 2151.17 724.04 5456.77 2965.46 3153.06 8412.48 17595.55 13437.67 6331.8 2175.25 11510.24 1053.22 1160.06 2694.32 5268.9 3097.93 4115.72 4649.11 2388.74 1824.28 19504.75 3855.79 3367.12 8590.63 5684.71 3806.79 6957.57 23083.11 3482.56 3895.48 6834.01 6923.06 510.35 3753.2 6003.94 6671.27 7299.09 7026.81 7390.53 7546.19 6995.93 7120.63 7020.96 6989.03 5721.65 Asn-Leu-Pro-Ala-Lys 7400.67 9844.06 11268.5 17670.22 13217.8 18560.02 16622.65 8266.33 7549.29 9147.49 6657.5 11971.32 16015.25 8977.8 7956.25 17756.53 10511.85 6060.7 22647.39 12869.68 4879.52 6472.36 7238.1 5177.88 4739.77 6172.11 1392.3 3865.66 7542.11 3618.68 1566.9 6247.49 4153.24 7370.34 6397.02 815.59 2144.92 1196.11 2184.92 2902.52 6091.07 5125.8 6966.78 9507.65 8455.11 10499.46 5469.17 8816.27 7471.46 15601.72 6460.92 5801.85 9991.29 8913.69 5358.36 8256.45 6870.93 10674.16 7869.93 10879.63 9018.09 12704.4 8216.09 13913.14 12021.26 7593.58 9964.49 9205.85 9484.5 7324.15 7096.09 6991.62 8163.37 20124.77 15218.5 2822.09 3519.43 3428.79 1974.29 2629.77 3501.84 2221.51 1971.05 1860.81 2297.08 2840.06 3496.46 4054.19 2679.96 3462.99 1760.19 3920.89 3629.78 4184.93 3187.53 3166.05 3328.22 3288.63 3590.54 4552.02 7978.16 8595.96 9838.79 8605.64 8509.62 8107.58 8117.45 7477.42 8603.42 Naphyrone 1-naphthyl isomer (hydrochloride) 1593.67 931.9 2021.09 3915.33 1743.88 3955.01 3989.97 1122.43 2290.03 1441.57 1779.11 1981.12 1818.63 981.94 1904.4 776.61 2457.07 2259.59 3149.72 2485.58 5983.24 412.7 1191.7 3947.52 2596.63 796.27 1368.99 900.73 1860.56 917.09 1354.36 1484.92 764.32 924.26 1477.7 2464.37 2318.43 545.7 1670.09 1649.9 2220.05 1865.97 757.25 1773.99 661.86 1398.98 3127.67 3288.88 2404.58 4564.66 526.59 406.02 4216.61 4123.97 779.27 4802.18 1595.59 443.96 851.09 1998.21 1198.61 1032.96 2768.09 3667.26 1850.79 1650.94 1070.55 531.5 723.77 2050.22 1988.9 6483.3 4399.35 552.91 1905.06 2771.83 2789.91 2616.29 2600.52 3234.04 2668.46 2645.62 2785.3 2743.82 S,R-Noscapine 2273.07 1065.71 2409.58 1202.48 7695.63 1173.62 4688.25 954.93 6231.59 737.53 3257.91 5490.36 2709.76 2330.07 2044.82 1939.97 3497.58 5189.1 3394.49 2567.41 3510.35 1945.06 987.5 968.64 3255.24 1008.9 1217.45 2313.73 3219.07 825.06 1870.27 2849.93 1043.81 628.99 855.77 1949.5 505.15 1541.41 377.75 475.5 1519.66 4105.38 1754.29 1260.27 3423.21 1593.82 695.14 2123.8 1824.14 739.65 1848.49 981.52 2981.64 1095.86 3119.49 1134.4 1588.18 742.76 1382.2 2748.48 1821.1 1448.2 2343.82 999.23 1897.88 3602.6 5270.38 1494.3 2139.97 538.66 658.55 2779.71 3265.4 3555.39 1821.88 2716.31 2648.22 3419.29 2710.45 2602.19 2661.79 2618.26 2327.73 1927.61 Trp-Leu-Lys-Ser-Asn 1579.06 2505.71 2359.81 2809.64 5391.91 2249.38 7166.73 2697.39 4300.73 4445.46 4143.6 1329.01 2338.09 6154.45 999.07 1124.68 1515.64 1032.89 2723.18 1664.01 4045.72 5330.61 2314.52 3336.84 2998.31 2475.11 2035.96 1370.15 3511.21 1450.37 2888.06 2941.66 3276.98 2010.75 5485.31 1168.53 1050.57 2545.73 3007.19 1330.58 3598.81 12794.74 5634.62 3266.41 1031.21 2462.36 2124.75 3495.76 2522.34 1878.93 1319.34 2580.96 2339.49 2162.1 5901.99 1220.59 558.75 862.29 1496.47 3315.05 2037.92 2373.7 2929.86 2484.23 560.93 575.22 4735.05 5505.52 2707.13 3399.58 2411.7 2761.55 702.6 1586.84 713.16 3108.83 2929.26 2464.29 2272.12 2920.77 3205.75 2422.38 3337.01 2674.12 Tyr-HoPhe-OH 887.15 2783.2 1210.17 1021.71 6390.4 1876.18 6046.8 1953.07 5096.35 1514.67 1709.25 4303.13 4108.68 3001.37 488.79 1719.72 1059.97 2191.87 3674.71 984.1 1337.8 765.76 646.81 377.53 995.23 602.23 766.11 562.69 373.19 891.58 945.94 2939.43 848.64 1340.92 623.56 1280.12 979.27 378.06 505.58 1030.24 847.68 980.44 1189.8 1353.97 4384.8 961.79 3671.21 1561.74 1083.9 2548 1683.96 2845.57 1063.87 953.59 3100.97 3618.99 323.24 544.06 3518.22 370.71 570.05 1038.52 664.2 484.6 529.39 5917.08 2681.65 1262.9 558.46 4820.38 1757.03 1253 417.98 1577.81 970.78 1951.61 2058.78 1941.48 2058.86 2052.71 1464.68 1937.28 2043.54 1915.06 2-(3-Hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol 768 526.33 291.07 1483.65 955.96 987.68 969.7 1162.85 1360.12 908.94 1595.5 3770.49 1894.86 700.28 2168.96 1645.77 839.52 974.92 917.38 1425.09 7657.69 773.73 1084.86 265.52 974.37 246.51 1269.4 306.01 4144.89 803 1361.6 419.51 620.77 534.33 551.95 984.27 1203.53 1014.21 584.81 746.31 1221.71 680.4 2797.52 615.96 290.96 3364.3 1722.33 763.86 1752.91 250.73 1198.51 980.88 3636.75 2346.23 850.76 785.42 366.87 2246.58 1025.3 1019.54 906.91 1770.44 570.9 1380.53 2568.43 1168.22 651.74 1912.21 2570 3359.36 662.66 816.27 2693.09 7940.92 1103.05 2196.32 2101.34 2231.62 1961.19 1902.21 2171.52 2019.85 1097.9 2168.76 (1R,4aR)-8,8-dimethyl-2-oxospiro[4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylate 3874.87 3886.03 752.82 3286.53 6522.85 855.74 1946.28 3295.4 1800.22 4555.15 4617.34 826.41 4952.64 3122.53 2901.89 3220.07 1227.57 4096.58 4083.52 1889.77 4471.07 4172.67 3475.51 2224.55 2978.92 3740.56 1629.35 2604.28 2526.91 2473.59 3218.98 3704.12 2685.57 2944.28 2733.08 3239.35 2417.26 1455.25 3805.61 1882.39 7463.37 4924.76 4347.2 5271.32 5584.65 5177.59 2992.49 5141.47 2374.24 6943.17 3849.02 4722.62 4218.79 4664.44 4244.65 4784.77 1194.21 1392.72 3286.33 9245.3 3816.06 2830.42 2571.39 6478.42 6000.44 6770.59 2251.11 6075.04 3287.93 4979.89 5056.42 5729.36 4634.72 2986.15 4141.09 2629.39 4382.97 4416.7 4194.08 4144.46 4397.95 4420.17 4175.2 4383.12 PyroGlu-Met-Arg 547.96 412.83 312.82 998.71 953.63 3721.75 1923.32 1581.19 599.47 342.31 891.85 1195.04 2318.87 460.83 1318.42 1148.32 435.37 671.86 883.58 559.12 577.23 554.05 860.47 458.61 540 470.54 390.18 307.39 406.38 541.54 542.22 772.14 847.48 302.9 380.16 514.29 626.69 315.38 460.94 317.92 328.1 439.67 1000.35 442.95 722.35 917.13 695.43 527.36 625.89 523.37 741.3 1772.99 712.81 693.03 317.82 876.9 500.01 309.67 1031.71 332.44 258.37 727.18 270.87 869.04 607.24 1728.68 1068.23 358.93 641.12 847.66 1474.91 337.13 327.19 1527.31 619.11 1168.29 1180.81 1077.89 1059.45 1130.44 1155.44 841.09 1076.18 1156.59 Dye X-732-100Ea 2352.75 1567.16 1846.71 1919.88 914.03 4640.81 2584.84 2462.42 1583.94 3840.74 4146.78 4751.86 3849.01 1728.54 2637.36 5564.53 770.94 625.4 3576.55 621.43 1149.08 1258.35 1052.47 1100.63 2209.54 833.67 795.14 1648.83 890.34 750.5 500.76 2013.33 778.84 899.44 971.36 3057.34 941.66 980.5 1418.74 852.89 2882.91 3548.99 3373.68 1574.53 2896.52 1488.79 1140.16 3260.82 337.22 4182.31 1028.33 1142.15 1571.93 844.13 1445.14 1165.88 943.95 535.15 2778.76 917.42 1047.73 2327.77 1628.82 2234.82 818.84 3693.34 1489.24 3412.78 2845.07 1949.23 2127.7 2341.42 618.46 1461.78 854.59 2614.94 2575.53 2608.19 2401.53 2171.75 3110.97 2274.49 2547.94 2689.41 [1-[[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium 2437.65 1244.41 509.22 1014.44 1210.52 2974.02 829.57 1870.75 2103.86 2014.81 721.7 6340.58 1110.3 2753.71 977.04 509.59 443.95 1888.65 3921.42 2994.88 484.17 833.58 291.7 591.62 2033.19 716.66 833.35 670.63 502.64 446.02 1036.51 294.13 652.11 823.05 676.74 894.3 444.07 327.32 299.3 490.92 2953.57 2041.47 961.99 802.1 5358.05 4212.24 5717.91 871.66 545.56 3372.54 2897.54 2788.86 877.78 1067.52 817.53 517.17 624.15 554.32 1559.23 1365.2 505.17 918.52 548.87 1204.89 1145.91 5567.56 4290.86 3952.17 3296.22 2154.59 1100.78 564 1383.75 3915.87 1584.28 1658.88 1626.2 2293.19 1582.47 1840.72 1842.76 1832.61 1770.99 1682.84 Leu-Arg-Gly-Pro-Ser 11866.63 10101.35 5336.33 22442.14 25121.36 30526.79 26751.63 23778.98 27599.4 21339.61 23194.73 47896.88 39278.66 17179.47 21855.33 28404.33 15035.06 23635.66 34390.14 28186.04 10864.25 5360.92 8126.84 7113.41 7920.21 6981.36 4178.07 8866.02 12198.83 2184.72 8038.01 14769.62 2924.6 5722.46 5724.7 8527.44 10076.13 737.52 12127.87 3292.82 24361.86 20139.73 19344.45 14541.2 32210.05 17138.38 24631.68 16081.9 12370.32 34092.08 14077.36 13515.35 15087.22 15806.72 12988.98 17350.84 3320.65 7296.91 21396.14 10809.7 14515.28 14668.61 13612.62 23694.37 19757.48 23428.34 22047.52 18763.98 16367.55 17817.04 18987.32 25579.53 20812.36 24071.12 24411.05 4976.01 8930.78 6080.94 9893.53 7732.85 6864.07 5707.5 7083.85 5727.71 3953.06 2970.67 6900.14 6446.36 5911.62 6308.82 1471.05 5540.06 5171.75 4396.8 5921.08 5291.49 4259.81 4899.43 6408.33 5789.87 25151.19 25245.47 25170.38 24767.39 25238.27 25737.66 25246.99 24101.74 24780.75 Leu-Ile-Pro-Leu-Leu 1146.28 1303.36 2079.81 4543.65 694.24 1176.05 655.63 1813.07 3586.85 2189.75 4473.64 4445.64 2464.66 5585.79 535.03 2640.02 2419.16 2648.2 1978.63 1818.42 1672.4 2167.71 4897.41 7989.65 2285.36 1459.13 4344.06 5725.66 1411.72 7964.32 2856.17 5602.64 2541.86 4561.24 5066.76 2457.36 2002.1 8155.57 5689.19 7843.76 731.81 2510.41 7657.62 5787.87 4479.94 2107.65 2883.65 3484.07 2978.27 3701.29 2951.12 6479.91 7452.55 6790.25 3905.73 1709.73 1922.43 7131.67 3742.61 1785.3 4878.93 6278.81 2965.23 6873.13 9558.79 1807.22 2027.46 4997.13 5379.31 3219.49 1321.37 1899.3 7177.14 5296.06 3991.76 3223.28 2878.22 3368.25 3218.96 3440.55 3403.06 3405.79 3263.42 3403.73 Val-Gln-Met-Met-Thr 3928.13 4672.23 6784.24 3886.48 1146.71 7130.75 7823.62 5666.75 8218.8 10316.43 3165.55 7963.72 4009.42 2690.89 1752.85 4382.91 8374.81 1149.55 3584.98 2782.43 2223.56 3811.08 4276.76 3599.41 771.55 1753.12 4874.6 6697.76 1379.99 2219.64 2207.43 1922.16 6070.34 5213.79 7049.98 2978.49 6132.43 5039.32 4392.19 5964.48 4680.77 5819.34 2676.15 10527.62 7681.92 7087.03 6699.56 4859.95 8247.07 3870.57 5452.9 837.54 10197.66 7027.48 3843.42 2861.69 1898.7 1815.11 1137.18 6377.21 9990.41 6819.23 5860.56 3365.9 1510.42 2812.01 4870.81 3181.25 8883.29 4680.05 3818.94 4225.2 3949.88 7789.41 4738.08 2881.13 3120.47 3228.09 3580.53 2983.9 2831.1 3451.74 3514.09 3076.51 N-[(3s,5s,7s)-Adamantan-1-yl]-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide 1567.17 2193.02 1671.69 2561.76 12370.94 13513 14735.14 6921.22 5388.25 4439.76 3159.98 8656.62 3899.27 11071.05 6393.36 9778.53 1011.93 11314.45 11324.24 8816.3 5596.41 3888.21 3070.14 1522.81 4145.14 1904.02 1667.04 780.46 4031.88 4893.94 4669.32 5653.47 3111.99 1686.94 831.88 3182.11 3049.68 803.19 3291.28 733.09 5190.93 4387.68 5852.68 3974.19 11654.52 4350.73 3366.51 4512.73 5063.56 1588.43 4489.92 5849.64 1631.32 1071.6 4249.65 3559.18 350.42 4116.72 5613.57 2235.11 4342.24 2756.16 5785.81 2032.15 5728.16 4095.98 7430.65 1174.61 2097.59 5687.99 3896.9 6469.39 5761.16 3256.66 793.13 7334.95 7213.72 7394.26 8025.91 6909.85 7316.13 7004.31 7032.26 6732.95 3,4,8,9,10-pentahydroxy-6-oxo-7-{5,11,12,13-tetrahydroxy-4-[1-hydroxy-2-(sulfooxy)ethyl]-8-oxo-3,7-dioxatricyclo[7.4.0.0(2),]trideca-1(13),9,11-trien-10-yl}-6H-benzo[c]chromene-1-carboxylic acid 787.9 1772.79 1636.46 1764.92 1423.43 705.21 603.84 4851.1 3948.5 415.41 956.31 1291.04 5288.57 686.92 850.54 659.53 1984.41 1930.54 1802.85 573.45 1619.83 4666.36 1611.25 1198.55 1378.76 557.97 633.72 692.02 1249.07 7289.76 2197.24 3731.83 848.67 2515.42 812.37 1509.9 1176.89 7341.34 1049.28 661.44 4838.53 561.42 1260.15 645.7 1007.53 4097.45 1903.78 1021.01 2560.11 1485.49 916.3 1377.03 960.81 3402.5 2405.09 507.18 1901.09 3656.6 811.76 2671.66 1418.34 3107.26 1235.53 1362.48 838.8 1276.18 689.92 3286.35 1749.53 570.74 643.32 2848.77 1345.14 1220.57 2860.24 1591.19 1585.34 1351.62 1886.62 1644.09 1664.82 1537.27 1512.4 1581.89 (2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylate 349.52 5101.67 1039.18 6267.89 2669.95 2441.8 1656.4 1784.33 4427.77 7252.11 2576.38 4676.32 1921.08 3467.94 725.97 4144.52 1095.06 3525.24 5080.46 977.86 1997.24 1273.06 1783.31 1214.94 2088.3 3072.12 954.66 1915.59 2958.77 1163.88 611.18 11214.7 782.56 1276.1 1672.98 4649.02 2378.57 1180.31 2020.54 1027.73 2596.79 6068.32 3638.09 2808.26 6091.39 2562.2 1697.88 5687.82 2432.39 3841.77 1312.77 1649.43 2697.77 2290.21 905.57 3006.44 932.82 2932.59 2635.43 1758.16 1060.09 1571.29 2486.01 884.73 2765.67 2147.49 2228.52 4233.32 2278.83 3295.47 3156.94 2501.42 5570.24 1124.69 1826 2941.99 2936.59 2461.51 2769.73 2449.49 2832.68 2457.95 2654.45 1883.95 Lys-Phe-Leu-Glu 1641.19 3671.51 4622.02 5307.94 2408.68 7004.92 2798.86 987.2 2107.59 1433.47 1780.1 2164.79 2374.23 2514.14 3513.38 2103.84 2215.08 4313.39 1482.22 2041.3 2418.29 1104.15 1432.77 1312.22 885.92 530.85 642.64 1499.63 1095.73 668.05 896.89 1908.93 436.98 2578.65 1742.05 1035.58 768.94 677.57 1129.03 874.4 437.87 2876.58 2047.27 3438.62 1618.8 2716.19 2358.53 373.65 1201.36 5680.23 399.36 1335.38 810.09 1669.92 1244.93 984.72 3684.46 3388.05 1372.81 700.59 1056.59 952.23 5754.63 831.22 745.54 4012.98 2444.11 1546.04 938.63 1307.82 950.33 2116.52 4091.63 4664.54 3767.52 1976.31 2298.97 1952.92 2259.14 1915.53 2140.57 2161.34 2227.37 1431.66 7-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dimethoxyphenyl}-6,11-dihydroxy-3-(4-hydroxyphenyl)-2lambda8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),2,4,6,9,11-hexaen-2-ylium 511.09 441.46 3660.34 2123.83 108.83 197.81 274.34 808.36 837.56 571.16 135.3 113.88 189.06 887.07 903.82 866.25 158.63 1066.88 282.75 124.07 322.87 3561.57 124.93 261.5 137.35 162.85 185.62 231.29 153.38 98.7 194.69 806.95 194.96 6010.93 207.36 125.81 281.68 3002.88 95.33 225.06 239.02 843.42 155.22 376.42 1221.41 347.14 194.82 719.43 95.65 1521.59 561.09 477.43 596.92 650.61 603.33 163.38 3313.45 4571.19 676.21 1380.46 710.88 796.8 115.04 583.5 205.83 166.83 181.02 135.66 519.83 686.77 368.4 214.49 462.31 836.38 642.24 2614.84 2784.99 2559.37 2590.42 2555.18 2618.61 2553.78 2616.14 2554.35 [(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate 871.37 676.11 396.11 604.97 901.45 354.07 362.18 334.51 1356.27 555.54 692.36 1681.88 525.34 528.94 1516.56 895.88 567.22 397.19 1012.49 863.18 597.55 1796.11 490.11 1196.86 611.23 387.37 636.36 564.2 1094.85 847.62 1451.81 890.02 834.76 656.57 468.58 569.96 409.25 792.65 1112.86 893.3 730.27 1002.51 454.95 897.27 952.58 1584.31 849.19 890.29 1116.84 2621.81 523.37 898.07 5976.69 540.57 7873.66 1182.81 1393.47 437.97 818.76 861.81 728.31 876.13 1190.14 2425.49 1364.6 2226.68 1908.17 844.62 1141.33 8561.29 831.04 1941.44 962.18 485.75 544.45 1573.48 2090.65 1922.53 1214.29 2056.99 1527.67 2612.8 2094.21 1591.6 (1R)-2,3,3a,8b-Tetrahydro-1alpha-acetoxy-8bbeta-hydroxy-6,8-dimethoxy-3abeta-(4-methoxyphenyl)-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester 4179.79 1943.21 5310.35 892.58 891.54 427.91 3590.45 6461.51 3281.63 3371.25 2255.84 3673.36 3656.08 5076.23 784.7 1002.15 6015.66 4233.76 3621.93 1451.19 2810.14 1005.34 2514.31 1148.99 2088.17 4661.8 1895.27 4322.14 2329.03 1441.02 888.16 2086.11 508.77 1406.35 440.13 4287.06 2791.48 721.2 3206.22 2449.45 579.33 2604.99 5454.85 1209.19 3702.3 1365.83 1584.02 7119.25 1650.86 1097.42 937.15 2282.22 4786.43 1979.87 2238.45 2182.19 4987.95 1645.12 1855.28 1256.7 769.18 1298.63 2856.83 414.81 2495.86 5074.16 557.96 3392.71 2856.82 1318.36 617.01 2345.88 1686.4 1757.11 1054.46 3844.14 3293.78 2881.53 3347.91 3362.3 3068.46 3416.97 3310.05 1725.34 2-Naphthalenecarboxamide, 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]- 2468.08 2168.86 5342.02 4614.8 7099.12 3543.23 2906.15 1408.14 1993.57 695.1 762.75 5511.39 6154.57 3140.57 2222.28 3260.1 2862.29 2614.65 8248.08 2603.06 1586.11 977.91 1883.65 637.65 3964.7 1171.56 484.15 1760.32 4453.6 2951.36 1519.44 2852.4 555.05 2277.52 827.14 3143.63 1977.71 603.02 1465.45 1333.76 2739.42 4767.57 1650.14 2749.43 1826.78 6361.85 5319.58 3348.9 2395.37 2813.54 1346.85 3129.48 3871.89 3072.7 1850.62 3199.6 2011.56 3345.36 2922.58 4391.65 2938.96 3215.37 3950.04 4324.9 4974.85 1279.57 3875.39 2575.01 3208.24 3333.66 1355.21 2165.03 3663.55 3285.2 2915.73 3549.92 3911.93 4011.16 3913.21 2682.54 3471.17 4048.5 3545.31 4038.79 Phe-Asp-Phe-Gln-Asn 3058.75 1733.94 6522.05 2629.28 2076.96 3261.04 2031.32 8040.5 2512.11 2412.25 2365.46 747.63 2615.28 3385.66 2137.82 3027.52 2728.76 4729.62 3374.4 990.56 2747.78 2366.93 624.71 7511.49 2929.01 4262.11 940.58 1299.14 2585.43 1398.99 825.99 4820.68 2461.6 2144.86 4875.05 5013.85 4486.11 501.86 2800.73 2181.31 9001.37 5544.87 8349.17 7556.42 3904.09 735.32 1295.36 975.11 719.43 3260.96 1273.68 7482.98 8912.83 1937.25 1907.67 2609.61 1666.13 2711.57 2254.13 782.06 4494.86 667.12 5184.21 7363.35 5406.05 930.03 623.68 682.49 934.71 1309.41 2027.7 1753.25 399.54 1569.86 1851.04 3425.48 2381.58 3386.99 3696.26 3625.56 3321.89 3385.87 3641.19 3428.76 3-ET-5-(2-(3-Ethyl-thiazolidin-2-ylidene)-ethylidene)-2-thioxo-thiazolidin-4-one 1007.49 1143.28 808.17 1036.75 2125.66 2201.3 975.35 2733.12 1024.81 424.8 2858.7 468.6 1849.22 596.91 534.09 837.31 1927.98 4304.36 1301.49 6384.91 1011.02 1349.92 644.68 838.62 970.07 1142.57 415.72 410.48 1069.48 662.15 436.23 1299.63 3242.62 1685.31 688.75 776.52 1938.31 583.88 2134.64 534.35 1388.4 624.91 1059.22 1372.07 1266.27 474.54 3909.72 937.96 572.98 1148.72 791.05 1369.27 802.39 463.26 1625.57 2631.56 936.04 784.09 2046.1 1297.15 618.53 463.04 2430.99 643.19 1250.58 1518.82 5886.59 1483.36 988.21 1346.85 925.14 484.74 2111.57 961.48 387.2 1405.38 1136.95 1352.22 1355.77 1351.63 1465.66 1689.46 1355.02 1315.08 2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22,28-decaene-12,27,31,34-tetrone 13131.39 12721.46 20288.37 25612.49 19077.8 9651.57 26698.26 8501.62 7137.86 12620.39 13980.68 26146.15 22992.61 26393.66 13957.06 19406.88 22273.54 15198.26 24316.74 15254.82 11170.66 21709.81 26616.91 22089.91 14434.15 6188.88 10972.6 17183.32 19351.05 16851.97 10859.58 35081.34 9138.39 23285.78 27604.75 11056.84 11634.71 4572.06 26273.26 16364.51 17844.26 16039.49 26570.67 29330.98 20986.06 22651.34 15353.66 21133.35 9075.49 16138.08 11775.79 12835.73 26294.51 17803.34 23113.63 11621.05 28336.86 36360.06 15864.04 12271.79 14598.96 29757.67 16533.51 30257.3 22237.97 18750.18 11758.86 16452.67 24248.38 16265.2 11987.9 27886.91 11650.23 20038.96 20827.73 23834.48 24105.9 23844.73 24139.87 23879 23875.86 23973.78 23165.87 24112.88 TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z)) 1350.24 823.01 608.13 698.01 1883.63 3101.1 385.4 659.48 926.8 1983.01 555.91 1455.42 356.31 2269.93 1145.81 1366.52 588.69 399.54 983.43 731.88 633.74 609.41 393.76 595.31 605.96 540.38 812.39 1620.14 1300.46 755.41 272.13 955.68 361.42 281.73 602.82 794.38 599.26 402.57 828.01 408 859.63 2053.05 945.48 608.18 1716.67 542.48 638.73 642.15 713.34 1555.26 1123.2 1857.08 711.77 1259.18 1960.12 1588.23 278.03 575.76 284.58 735.91 720.93 881.27 1982.81 1040.24 280.22 2067.04 1105.68 1046.09 1285.63 1473.68 993.35 1283.02 720.64 1178.37 642.06 1426 1490.98 1886 1667 1520.86 1450.7 1546.95 2019.66 1655.58 Uridine-5'-diphosphate-glucose 1086060.35 1051766.98 529105.03 465283.84 292278.98 654865.79 1019512.65 545685.51 2172899.16 2484923.34 2010337.32 2302690.99 1364606.2 392994.63 1659082.42 982419.64 942640.29 1307069.27 553960.43 1313548.09 1284337.71 1277321.56 1221229.46 1853450.55 1365723.3 1264156.65 1146440.58 1196737.4 1273311.44 Salicylanilide 19679.59 19269.13 20713.73 19122.96 20158.27 19459.63 19803.61 19757.81 19283.39 21448.53 27293.45 20015.83 19701.37 19122.89 21593.52 28230.59 21329.62 19762.95 19289.54 21178.13 22038.65 25584.52 20420.59 20394.16 23461.97 18716.27 19383.18 26303.03 21151.41 Xanthotoxol 30753.24 30210.59 34625.54 24380.96 46625.97 25474.77 3571.26 24016.06 24798.49 28033.71 30682.9 26347.29 24813.87 24278.02 24850.98 28888.76 28276.72 21850.58 23357.52 50564.54 39949.34 35401.14 35830.17 23713.46 21063.26 27226.88 25930.42 28482.01 30439.26 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CAS PubChem CID HMDB cpd_ID Pyroglutamic acid 98-79-3 7405 HMDB0000267 C01879 L-Proline 147-85-3 145742 HMDB0000162 C00148 Propylparaben 94-13-3 7175 HMDB0032574 - 4-Hydroxybenzaldehyde 123-08-0 126 HMDB0011718 C00633 4-Ethyloctanoic acid 16493-80-4 61840 HMDB0036136 - FFA(14:0) 544-63-8 11005 HMDB0000806 C06424 2-Methylsuccinic Acid 498-21-5 10349 HMDB0001844 - Ketoleucine 816-66-0 70 HMDB0000695 C00233 Hydrocinnamic acid 501-52-0 107 HMDB0000764 C05629 Xanthine 69-89-6 1188 HMDB0000292 C00385 Genistein 446-72-0 5280961 HMDB0003217 C06563 Nicotinic acid 59-67-6 938 HMDB0001488 C00253 Pyridine-3,4-dicarboxylic acid 490-11-9 10273 HMDB0000232 - 4-Hydroxybenzoic acid 99-96-7 135 HMDB0000500 C00156 Quinolinic acid 89-00-9 1066 HMDB0000232 C03722 4-Methylcatechol 452-86-8 9958 HMDB0000873 C06730 L-Glutamic acid 56-86-0 33032 HMDB0000148 C00025 Succinic acid 110-15-6 1110 HMDB0000254 C00042 3-Indoleacrylic acid 29953-71-7 5375048 HMDB0000734 - L-Norleucine 327-57-1 21236 HMDB0001645 C01933 Erythrose 583-50-6 | 1758-51-6 94176 HMDB0002649 C01796 Leucinic acid 498-36-2 92779 HMDB0000665 - 16-Hydroxyhexadecanoic acid 506-13-8 10466 HMDB0006294 C18218 Indole-4-carboxaldehyde 1074-86-8 333703 - - Pyrocatechol 120-80-9 289 HMDB0000957 C15571 Glutaric acid 110-94-1 743 HMDB0000661 C00489 Phenylpyruvic acid 156-06-9 997 HMDB0000205 C00166 prostaglandin B2 13367-85-6 5280881 HMDB0004236 C05954 Isonicotinic acid 55-22-1 5922 HMDB0060665 C07446 Sebacic acid 111-20-6 5192 HMDB0000792 C08277 2-Methylbenzoic acid 118-90-1 8373 HMDB0002340 C07215 3-(3-Hydroxyphenyl)Propionate Acid 621-54-5 91 HMDB0000375 C11457 Citrulline 372-75-8 9750 HMDB0000904 C00327 Tetradecanedioic acid 821-38-5 13185 HMDB0000872 - N-Phenylacetylglycine 500-98-1 68144 HMDB0000821 C05598 Benzoic acid 65-85-0 243 HMDB0001870 C00539 Tauroursodeoxycholic acid 14605-22-2 9848818 HMDB0000896 - Apocholic acid 641-81-6 101818 - - Undecanedioic acid 1852-04-6 15816 HMDB0000888 - L-Isoleucine 73-32-5 6306 HMDB0000172 C00407 Flavin adenine dinucleotide 146-14-5 643975 HMDB0001248 C00016 Lactic acid 50-21-5 | 26100-51-6 | 598-82-3 | 26811-96-1 612 HMDB0144295 C01432 (S)-2-amino-6-oxopimelic acid 75650-93-0 194695 - C03871 1,2,3-Propanetricarboxylic acid 99-14-9 14925 HMDB0031193 C19806 aldehydo-D-ribose 50-69-1 | 34466-20-1 5311110 - - 1,11-Undecanedicarboxylic acid 505-52-2 10458 HMDB0002327 - FAA(18:1) 506-17-2 5282761 HMDB0240219 C21944 Prostaglandin D3 71902-47-1 5282260 HMDB0003034 C13802 4-Hydroxy-3-methylbenzoic acid 499-76-3 68138 HMDB0004815 - 6β-hydroxytestosterone 62-99-7 65543 HMDB0006259 C14497 d-Myo-inositol 4-monophosphate ammonium salt 142760-33-6 71684577 - C03546 Taurocholic acid 81-24-3 6675 HMDB0000036 C05122 Methyl hexadecanoic acid 112-39-0 8181 HMDB0061859 C16995 4-Methoxyphenylacetic acid 104-01-8 7690 HMDB0002072 - 20-Carboxy-leukotriene B4 80434-82-8 5280877 HMDB0006059 C05950 3,4-Dimethoxycinnamic acid 14737-89-4 717531 HMDB0034315 - Rhapontigenin 500-65-2 5320954 HMDB0031842 - Hippuric acid 495-69-2 464 HMDB0000714 C01586 Monobutyl phthalate 131-70-4 8575 HMDB0013247 - Glu-Leu 5969-52-8 9813855 HMDB0028823 - N-Acetyl-L-aspartic acid 997-55-7 65065 HMDB0000812 C01042 Dihydroferulic acid 1135-23-5 14340 HMDB0062121 - Disodium succinate 150-90-3 | 14047-56-4 9020 - - Echinacoside 82854-37-3 5281771 - - Fumagillin 23110-15-8 | 127913-45-5 6917655 - - 3,5-Di-tert-butyl-4-hydroxybenzyl alcohol 88-26-6 6929 HMDB0032048 - 3-Hydroxyphenylacetic acid 621-37-4 12122 HMDB0000440 C05593 3'-Deoxyguanosine 3608-58-0 135440068 - - Lapachol 84-79-7 3884 HMDB0253978 C10366 N-acetyl-5-aminosalicylic acid 51-59-2 65512 HMDB0060602 - d-Camphoric acid 124-83-4 | 5394-83-2 | 17839-62-2 101807 - - Maltose 69-79-4 10991489 HMDB0000163 C00208 20-HETE 79551-86-3 5283157 HMDB0005998 C14748 13,14-Dihydro-15-keto-PGE2 363-23-5 5280711 HMDB0002776 C04671 Calcium pantothenate 137-08-6 443753 - - Flavin mononucleotide 146-17-8 643976 HMDB0001520 C00061 4-Methoxycinnamic acid 943-89-5 699414 HMDB0002040 - N-Palmitoyl Taurine 83982-06-3 14504290 HMDB0240594 - Traumatic acid 6402-36-4 5283028 HMDB0000933 C16308 Indole-3-propionic acid 830-96-6 3744 HMDB0002302 - Mandelic acid 90-64-2 439616 HMDB0000703 C01984 2,3-Dinor-TXB2 63250-09-9 5283138 HMDB0002904 - Daidzein 486-66-8 5281708 HMDB0003312 C10208 ortho-Hydroxyphenylacetic acid 614-75-5 11970 HMDB0000669 C05852 Probenecid 57-66-9 4911 HMDB0015166 C07372 FFA(15:1) 84743-29-3 5312411 - - Oxoadipic acid 3184-35-8 71 HMDB0000225 C00322 2-Aminobenzoic acid 118-92-3 227 HMDB0001123 C00108 N-Acetylglucosamine 1-Phosphate 6866-69-9 440272 HMDB0001367 C04256 Clindamycin hydrochloride monohydrate 58207-19-5 53302336 - - 11-keto-TXB2 67910-12-7 5280891 - - Gemfibrozil 25812-30-0 3463 HMDB0015371 C07020 Ursodeoxycholic acid 128-13-2 31401 HMDB0000946 C07880 Pterostilbene 537-42-8 | 18259-15-9 | 441351-32-2 5281727 HMDB0130987 - 11β-13,14-dihydro-15-keto Prostaglandin F2α 107615-77-0 25755792 - - LPC(0:0/18:2) 27304-12-7 71768169 HMDB0061700 C04438 Ranolazine 95635-55-5 | 142387-99-3 | 110445-25-5 56959 HMDB0014388 - Enterodiol 80226-00-2 115089 HMDB0005056 C18166 Glyceraldehyde 56-82-6 751 HMDB0001051 C02154 5-(3-Carboxybenzoyl)-2-((6-(4-methoxyphenyl)-5-hexenyl)oxy)benzenepropanoic acid 117423-74-2 6444688 - - Mycophenolic acid 24280-93-1 446541 HMDB0015159 C20380 9S-HOTrE 89886-42-0 6439873 - - Dienogest 65928-58-7 68861 - - Axitinib 319460-85-0 | 319463-51-9 6450551 - - Lactulose 4618-18-2 11333 HMDB0000740 - Floionolic acid 17705-68-9 5282938 HMDB0034295 C19621 2,5-Dihydroxybenzaldehyde 1194-98-5 70949 HMDB0004062 C05585 Phenylacetylglutamine 28047-15-6 92258 HMDB0006344 C04148 Traumatin 65410-38-0 5312889 HMDB0037326 C16309 Moxidectin 113507-06-5 9832912 - - 4-Hydroxyphthalic acid 610-35-5 11881 - C06680 Glycocholic acid 475-31-0 10140 HMDB0000138 C01921 Indoleacetic acid 87-51-4 802 HMDB0000197 C00954 thromboxane B2 54397-85-2 5283137 HMDB0003252 C05963 Ginkgolic acid 22910-60-7 5281858 HMDB0033897 - Clarithromycin 81103-11-9 84029 HMDB0015342 C06912 cis-3-Hexenyl acetate 3681-71-8 5363388 HMDB0040215 C19757 Formononetin 485-72-3 5280378 HMDB0005808 C00858 Phenylalanyltyrosine 17355-18-9 515709 HMDB0029007 - Adapalene 106685-40-9 60164 HMDB0014355 - p-Cresol sulfate 3233-58-7 4615423 HMDB0011635 - trans-Sulindac 38194-50-2 | 53933-60-1 | 49627-22-7 | 32004-68-5 1548885 HMDB0014743 - Letrozole 112809-51-5 3902 HMDB0015141 C08163 2-Methoxyestradiol 362-07-2 66414 HMDB0000405 C05302 Astemizole 68844-77-9 2247 HMDB0014775 C06832 Ethionamide 536-33-4 2761171 HMDB0014747 C07665 Camptothecin 7689-03-4 | 251316-95-7 24360 - C01897 Rosmarinic acid 20283-92-5 5281792 HMDB0003572 C01850 Clozapine 5786-21-0 135398737 - C06924 tetranor-PGFM 23109-94-6 3246853 - - Uridine triacetate 4105-38-8 | 293738-13-3 20058 - - Gamma-CEHC 178167-75-4 | 178167-77-6 133098 HMDB0001931 - 11-deoxy PGE1 37786-00-8 5283055 - - Bazedoxifene acetate 198481-33-3 154256 - - Phe-Pro 7669-65-0 7020642 HMDB0011177 - (+/-)-Eriodictyol 4049-38-1 11095 HMDB0005810 - S-Phenylmercapturic acid 4775-80-8 95526 HMDB0042011 - 3-Methyl-4-pentenoic acid 1879-03-4 3456032 - - Bendamustine hydrochloride 3543-75-7 | 97832-05-8 77082 - - Sucralose 56038-13-2 71485 - - 1,7-Bis(4-hydroxyphenyl)-3-heptanone 130233-83-9 14608480 HMDB0138216 - Glucuronic Acid 528-16-5 94715 HMDB0000127 C00191 Milrinone 78415-72-2 4197 HMDB0014380 C07224 N-Methyltryptamine 61-49-4 6088 HMDB0004370 C06213 Nordeoxycholic acid 53608-86-9 193905 - - NADH 58-68-4 439153 HMDB0001487 C00004 Pidotimod 121808-62-6 65944 - - tetranor-12(R)-HETE 135271-51-1 90469827 - - Gly-Trp 2390-74-1 92181 HMDB0028852 - Midodrine 133163-28-7 4195 HMDB0014356 C07890 Isosteviol 27975-19-5 99514 - - Rosiglitazone 122320-73-4 77999 HMDB0005031 - Pectolinarigenin 520-12-7 5320438 HMDB0128589 C17784 gold(1+);(2S,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate;triethylphosphane 34031-32-8 16667669 HMDB0015130 - 3-(2,4-Dihydroxyphenyl)propanoic acid 5631-68-5 96384 HMDB0126386 - Pimelic acid 111-16-0 385 HMDB0000857 C02656 Zidovudine 30516-87-1 35370 HMDB0014638 C07210 Lopinavir 192725-17-0 92727 HMDB0015539 C12871 6-ketoprostaglandin E1 67786-53-2 5280889 HMDB0004241 C05962 Fusidate sodium 751-94-0 23672955 - C76403 Erlotinib 183321-74-6 176870 HMDB0014671 - Glycohyodeoxycholic acid 13042-33-6 114611 - - Mesalazine 89-57-6 4075 HMDB0014389 - Nefiracetam 77191-36-7 71157 - - 3-Hydroxycinnamic acid 14755-02-3 637541 HMDB0001713 C12621 3,5-Dimethoxycinnamic acid 16909-11-8 | 20767-04-8 5324677 HMDB0127491 - Glycerophospho-N-Arachidonoyl Ethanolamine 201738-25-2 71684654 - C04438 Potassium Canrenoate 102731 23671691 - - Oxfenicine 32462-30-9 36143 - - Harmine 442-51-3 5280953 HMDB0030311 C06538 FFA(16:1) 373-49-9 445638 HMDB0003229 C08362 Lumichrome 1086-80-2 5326566 - C01727 Glu-Tyr 3422-39-7 515717 HMDB0028831 - Sunitinib 557795-19-4 5329102 HMDB0015397 - Pazopanib hydrochloride 635702-64-6 11525740 - - Prostaglandin A1 ethyl ester 93464-24-5 12149511 - - Resolvin E1 552830-51-0 10473088 HMDB10410 C18171 5,5'-Dehydrodivanillate 2134-90-9 16487 - C18347 Hesperetin 520-33-2 72281 HMDB0005782 C01709 Loganin 18524-94-2 87691 - C01433 6-trans Leukotriene B4 71652-82-9 5283128 HMDB0001085 C02165 5-Methyl-4-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-YL]-1,3-benzenediol 317321-41-8 45073499 - - L-Tyrosyl-L-serine 13588-99-3 54564570 HMDB0029114 - GW 590735 622402-22-6 | 343321-96-0 9956726 - - Cianidanol 154-23-4 9064 HMDB0002780 C06562 Procyanidin B2 29106-49-8 122738 HMDB0033973 C17639 Uridine-5'-diphosphate 58-98-0 6031 HMDB0000295 C00015 Capsianoside I 121924-04-7 14610541 HMDB0002318 - Cilostazol 73963-72-1 2754 HMDB0015297 - Trilostane 13647-35-3 656583 HMDB0015240 C12580 L-cystine 56-89-3 67678 HMDB0000192 C00491 Caftaric acid 67879-58-7 6440397 HMDB0013680 - Diethylstilbestrol 56-53-1 448537 HMDB0014400 C07620 1-Aminocyclohexanoic acid 2756-85-6 1366 - - 3-(4-Hydroxyphenyl)-1-propanol 10210-17-0 82452 HMDB0032599 - Gliclazide 21187-98-4 3475 HMDB0015252 - Astragaloside IV 84687-43-4 | 83207-58-3 13943297 - C17799 TxB3 71953-80-5 5283140 HMDB0005099 - Gamma-Mercholic Acid 547-75-1 92805 HMDB0000760 C17649 Daidzin 552-66-9 107971 HMDB0033991 C10216 Alternariol 641-38-3 5359485 HMDB0030831 C16838 Azukisaponin I 82793-02-0 14103656 HMDB0038612 - Naringin 10236-47-2 442428 HMDB0002927 C09789 Dronedarone 141626-36-0 208898 HMDB0251621 D02537 Aleuritic acid 6949-98-0 222178 - - Ethyl salicylate 118-61-6 8365 HMDB0029817 - Phloretin 60-82-2 4788 HMDB0003306 C00774 Donepezil 120014-06-4 | 142057-79-2 | 142057-80-5 3152 HMDB0005041 - Pinacidil 60560-33-0 4826 - - 3-Hydroxyhexadecanoic acid 2398-34-7 | 928-17-6 | 20595-04-4 301590 HMDB0061658 - Dodecyl sulfate 151-41-7 | 2235-54-3 8778 - - Cys-Tyr 1089-23-2 150879 HMDB0028787 - leukotriene E4 75715-89-8 5280879 HMDB0002200 C05952 3-Nitrotyrosine 3604-79-3 65124 HMDB0001904 - Methazolamide 554-57-4 4100 HMDB0014841 C07764 Reserpine 50-55-5 5770 HMDB0014351 C06539 Cinnzeylanine 62203-47-8 85379763 HMDB0036011 - 12-HOME 141-22-0 5312769 HMDB0034297 C08365 Salmeterol 89365-50-4 5152 HMDB0015073 C07241 Josamycin 16846-24-5 5282165 HMDB0015418 C12662 Ibuprofen 15687-27-1 3672 HMDB0001925 C01588 6-keto-PGF1α 58962-34-8 5280888 HMDB0002886 C05961 Ofloxacin 82419-36-1 4583 HMDB0015296 C07321 Ozagrel 82571-53-7 5282440 - - Quercitrin 522-12-3 5280459 HMDB0033751 C01750 Cortexolone 152-58-9 440707 HMDB0000015 C05488 Pravastatin 81093-37-0 54687 HMDB0005022 C01844 Hesperidin 520-26-3 10621 HMDB0003265 C09755 S-(5-Adenosy)-L-Homocysteine 979-92-0 439155 HMDB0000939 C00021 3-Hydroxybutyric acid 625-72-9 441 HMDB0000011 C01089 Prednisolone 50-24-8 5755 HMDB0014998 C07369 leukotriene D4 73836-78-9 5280878 HMDB0003080 C05951 N'-Hydroxy-4-methylbenzenecarboximidamide 19227-13-5 | 923023-83-0 | 69113-24-2 5493168 - - Mercaptopurine 50-44-2 667490 HMDB0015167 C02380 Nitrofurantoin 67-20-9 | 178170-37-1 6604200 HMDB0014836 C07268 2-Methyl-d-erythritol 2,4-cyclodiphosphate 143488-44-2 126747 - - Clindamycin phosphate 24729-96-2 443385 HMDB0015321 - Ketoprofen 22071-15-4 3825 HMDB0015144 C01716 10-Hydroxy-2-decenoic acid 14113-05-4 | 765-01-5 5312738 - - 8,15-Dihete 77667-08-4 53480358 HMDB0010219 - Glyceric acid 473-81-4 | 600-19-1 | 118916-26-0 752 HMDB0000139 C00258 Glutathione 70-18-8 124886 HMDB0000125 C00051 3-Methylbenzaldehyde 620-23-5 12105 HMDB0029637 C07209 4-Methylhippuric acid 27115-50-0 97479 HMDB0013292 - Tropisetron hydrochloride 105826-92-4 656664 - - Epiandrosterone 481-29-8 441302 HMDB0000365 C07635 Tamsulosin 106133-20-4 129211 HMDB0014844 C07124 5-Phenylvaleric acid 2270-20-4 16757 HMDB0002043 - Chrysin 480-40-0 5281607 HMDB0036619 C10028 3-Hydroxypropanoic Acid 503-66-2 68152 HMDB0000700 C01013 Aripiprazole 129722-12-9 60795 HMDB0005042 C12564 13,14-dihydro-15-keto PGD2 59894-07-4 5283036 HMDB0060042 - Aliskiren 173334-57-1 5493444 HMDB0015387 - gamma-Linolenic Acid 506-26-3 5280933 HMDB0003073 C06426 Armexifolin 64929-15-3 13918461 HMDB0035596 - (±)5(6)-DiHETE 845673-97-4 14429105 - - Threitol 7541-59-5 169019 HMDB0004136 - Thr-Ser 61043-86-5 7016065 HMDB0029070 - Sonidegib 956697-53-3 24775005 - - (R)-4-(1-Aminoethyl)-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzamide dihydrochloride 173897-44-4 20601328 - - (±)13(14)-DiHDPE(A) 1345275-24-2 16061146 - - Ginsenoside RG1 22427-39-0 441923 HMDB0035857 C08946 D-Allose 579-36-2 | 478529-45-2 439507 HMDB0001151 C01487 Harpagoside 19210-12-9 5281542 - C09783 Liquiritin 551-15-5 503737 HMDB0029520 C16989 Trifluridine 70-00-8 6256 HMDB0014576 - Ornidazole 16773-42-5 28061 - - N-arachidonoylglycine 179113-91-8 5283389 HMDB0005096 - Mevalonate 5-phosphate 73566-35-5 439400 HMDB0001343 C01107 Lomefloxacin 98079-51-7 3948 HMDB0015113 C07078 Glucotropaeolin 499-26-3 656498 HMDB0038419 C02153 (3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate 3415-67-6 4183 HMDB0000559 - 2-Methoxybenzoic acid 579-75-9 11370 HMDB0032604 - FFA(20:4) 82073-91-4 1899 - - Hydroxyprogesterone 68-96-2 6238 HMDB0000374 C01176 Ipragliflozin 761423-87-4 10453870 - - Trp-glu 36099-95-3 7009663 HMDB0029082 - Mycophenolate mofetil 128794-94-5 5281078 HMDB0014826 C07908 Puerarin 3681-99-0 5281807 - - Ginkgolide C 15291-76-6 24721502 HMDB0036860 - Regadenoson 313348-27-5 219024 - - 3-Methyl-4,8-dihydroxy-3,4-dihydroisocoumarin 70287-70-6 169539 HMDB0030765 - Flurbiprofen 5104-49-4 | 51543-38-5 3394 HMDB0014850 C07013 Zileuton 111406-87-2 60490 HMDB0014882 - Roxadustat 808118-40-3 11256664 - - N-Acetylcadaverine 32343-73-0 189087 HMDB0002284 - 6-Hydroxyflavone 6665-83-4 72279 HMDB0141530 - Dienestrol 84-17-3 | 13029-44-2 667476 HMDB0015027 C08090 Hydroxyisocaproic acid 13748-90-8 83697 HMDB0000746 - 13(R)-HODE 10219-69-9 13723970 - - (R)-2-Oxo-3-methylpentanoate 61748-89-8 440877 - C06008 2-Aminoheptanedioic acid 3721-85-5 101122 HMDB0034252 - 9-oxo-15R-hydroxy-16,16-dimethyl-5Z,13E-prostadienoic acid 53658-98-3 5283063 - - cis-3,4',5-Trimethoxy-3'-hydroxystilbene 586410-08-4 10108048 - - Rubiadin 117-02-2 124062 - - 9,11-Methanoepoxy PGH2 56985-40-1 5311493 - - 3-Hydroxy-3-methyloxindole 3040-34-4 151066 HMDB0004186 C05834 1-[5-Ethyl-2-hydroxy-4-[[6-methyl-6-(1H-tetrazol-5-YL)heptyl]oxy]phenyl]ethanone 117690-79-6 122023 - - Fenamidone 161326-34-7 10403199 - - ALLM (Calpain Inhibitor) 136632-32-1 16218939 - - 2-phenyl-amino-N6-endo-norbornyladenine 863202-33-9 53394567 - - 3-Hydroxybenzaldehyde 100-83-4 101 - C03067 5-Fluoro-N-(2-(4-(2-Oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)piperidin-1-yl)ethyl)-1H-indole-2-carboxamide 939055-18-2 16739265 - - Adynerin 35109-93-4 441840 - C08845 13,14-Dihydro-15-keto prostaglandin F2alpha isopropyl ester 199920-18-8 10178899 - - 6-[(4Ar,8as)-octahydroquinolin-1(2h)-ylsulfonyl]-1,2,3,4-tetrahydroquinoline 5455-90-3 221226 - - 15-cyclohexyl pentanor Prostaglandin F2alpha 58611-97-5 52193897 - - 2-Hydroxyethanesulfonic acid;6-methyl-7-nitro-5-(piperidin-1-ylmethyl)-1,4-dihydroquinoxaline-2,3-dione 186268-11-1 71312022 - - 3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid 55700-39-5 15558301 HMDB0038165 - CAY-10573 853652-40-1 6102812 - - 4,4'-(2-Methylpropylidene)bisphenol 1844-00-4 226969 - - Estrone glucuronide 2479-90-5 115255 HMDB0004483 C11133 [6]-Gingerdiol 3,5-diacetate 195204-05-8 5317587 HMDB0033213 - (S)-Acenocoumarol 66556-78-3 54683745 - - Galbeta1,3GlcNAc 489-52-1 | 50787-09-2 440994 HMDB0006575 C06372 13,14-dihydro-15(R)-Prostaglandin E1 201848-10-4 1428 - - Muramic acid 484-57-1 441038 HMDB0003254 C06470 Lasalocid 25999-31-9 | 25999-20-6 5360807 - - Pencycuron 66063-05-6 91692 - - Isoferulic acid 25522-33-2 736186 HMDB0000955 C10470 3-Oxocholic acid 2304-89-4 5283956 HMDB0000502 - Carboprostacyclin 69552-46-1 6436393 - - Ponasterone A 13408-56-5 115127 - C08835 Secoisolariciresinol 29388-59-8 65373 HMDB0013692 C18167 3-Decyl-5,5'-diphenyl-2-thioxo-4-imidazolidinone 875014-22-5 11502403 - - Cloprostenol 54276-21-0 | 40665-92-7 | 100786-10-5 5311053 - - [10]-Dehydrogingerdione 49794-94-7 131750874 HMDB0029471 - 6,6'-(1,2-phenylene)bis(1,3,5-triazine-2,4-diamine) 5118-79-6 220912 - - R-1 Methanandamide Phosphate 649569-33-5 35026345 - - Carboprost methyl 35700-21-1 5283105 - - Dihydrophaseic acid 41756-77-8 11988272 HMDB0038660 C15971 Cannabidiolic acid 1244-58-2 160570 - - 1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine 374922-43-7 1915791 - - 2-Cyclohexyl-2-hydroxy-2-phenylacetic acid 4335-77-7 | 50896-04-3 97700 - - Baccatin III 27548-93-2 65366 - - 16-phenoxy tetranor Prostaglandin F2alpha 51705-19-2 5311234 - - Zearalenone 17924-92-4 | 36455-70-6 5281576 - C09981 Hycanthone 3105-97-3 3634 HMDB0253234 - 6a,7,8,10a-Tetrahydro-1-hydroxy-6,6-dimethyl-3-(pentyl-5,5,5-D3)-6H-dibenzo(b,D)pyran-9-carboxylic acid, (6aR,10aR)- 130381-15-6 76969399 - - 2,4,6-Trihydroxy-5-[1-(4-hydroxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl)-3-methylbutyl]benzene-1,3-dicarbaldehyde 142698-60-0 14807364 HMDB0038704 - Oleaside A 69686-84-6 434211 - - Salvinorin A 83729-01-5 128563 - C20196 Bilirubin 635-65-4 5280352 HMDB0000054 C00486 (R)-Warfarin 5543-58-8 54684598 - - Docetaxal 125354-16-7 147895 - - Tyrphostin B48 133550-35-3 | 139087-53-9 5328771 - - Parthenin 508-59-8 442288 - C09523 Nicotiflorin 17650-84-9 5318767 HMDB0302426 C21833 Rufloxacin 101363-10-4 58258 HMDB0042009 C11240 Radicinin 10088-95-6 | 1402-20-6 5381458 - - Butaprost (free acid form) 433219-55-7 25886893 - - 11-deoxy-PGE2 35536-53-9 5283062 - - (R-(R*,R*))-3-(3-Cyclohexyl-3-hydroxypropyl)-2,5-dioxo-imidazolidine-4-heptanoic acid 78420-15-2 | 65705-83-1 6603749 - - Quinaprilat 82768-85-2 107994 HMDB0042005 D03773 2-(3-(Trifluoromethyl)benzamido)acetic acid 17794-48-8 2777432 - - 1-Pentyl-2-methyl-3-(1-naphthoyl)indole 155471-10-6 10360860 - - 15(R)-15-methyl Prostaglandin A2 96440-68-5 35020910 - - 3alpha-Hydroxy-5beta-pregnane-20-one sulfate 1477-67-4 44322229 HMDB0240590 - O-2545(hydrochloride) 874745-43-4 24848973 - - 15-methyl-15S-PGE2 35700-27-7 5283065 - - 3-(4-((3-Phenoxybenzyl)amino)phenyl)propanoic acid 885101-89-3 11595431 HMDB0252994 - CAY-10487 778624-05-8 23659588 - - 3-(2,5-dimethoxyphenyl)propanoic acid 10538-49-5 66343 - - Nitrazepam 146-22-5 4506 HMDB0015534 C07487 MS-Ppoh 206052-02-0 10087567 - - Apomorphine 41372-20-7 6005 HMDB0014852 - Cetirizine 83881-51-0 2678 HMDB0005032 C07778 Allotetrahydrocorticosterone 600-63-5 101790 HMDB0000449 - 7-Ethyl-10-(4-N-aminopentanoic acid)-1-piperidino)carbonyloxycamptothecin 181467-56-1 10077584 HMDB0060661 - Monomethyl glutaric acid 1501-27-5 73917 HMDB0000858 - Pracinostat 929016-96-6 49855250 - - Plumbagin 481-42-5 10205 - - Toyocamycin 606-58-6 11824 - - Soyasaponin II 55319-36-3 443614 HMDB0034650 C12081 Arbaprostil 55028-70-1 5283064 - - Aspartame 22839-47-0 134601 HMDB0001894 C11045 Roquefortine C 58735-64-1 21608802 HMDB0030381 - 13-Tetradecynoic acid 82909-47-5 5312715 - - Mundoserone 3564-85-0 3083809 - - O-Desmethyl Mycophenolic Acid 31858-65-8 25879063 HMDB0060788 - N-omega-Propyl-L-arginine 137361-05-8 447180 - - Dechloro ethylcloprostenolamide 951319-59-8 53345360 - - (E)-N-(2-(((3-(4-Chlorophenyl)allyl)(methyl)amino)methyl)phenyl)-4-methoxybenzenesulfonamide 176708-42-2 5353702 - - Himbacine 6879-74-9 6436265 - - Cycloastragenol 78574-94-4 | 84605-18-5 13943286 - - Cymoxanil 57966-95-7 | 166900-80-7 5364079 - C18498 Secobarbital 76-73-3 5193 HMDB0014562 - N-(1,4-dioxonaphthalen-2-yl)benzamide 65240-86-0 4882 - - Rottlerin 30169 5281847 - - Mimosine 2116-55-4 | 10182-82-8 | 27678-82-6 3862 HMDB0015188 - 1,2-bis(Heptanoylthio)glycerophosphocholine 89019-63-6 57369907 - - Wighteone 51225-30-0 5281814 - - 3-[1-[(4-Chlorophenyl)methyl]-5-fluoro-3-methyl-2-indolyl]-2,2-dimethylpropanoic acid 103253-15-2 122070 - - alpha-Hydroxyhippuric acid 16555-77-4 450272 HMDB0002404 - CCT-018159 171009-07-7 984170 - - Pyrrolidino PAF C-16 91021-63-5 57545133 - - L-Allysine ethylene acetal 215054-80-1 11041524 - - Arachidonic-p-nitroaniline 119520-58-0 35020716 - - 9-Decenoic acid 14436-32-9 61743 HMDB0031003 - 20-HETE ethanolamide 942069-11-6 35027640 HMDB0013630 - Acetyl-N-formyl-5-methoxykynurenamine 52450-38-1 171161 HMDB0004259 C05642 Sparfloxacin 110871-86-8 60464 HMDB0015339 C07662 Cholesterol sulfate 1256-86-6 65076 HMDB0000653 C18043 Celiprolol 56980-93-9 2663 - - Fumonisin b2 116355-84-1 2733489 HMDB0034703 C19242 Levocetirizine 130018-77-8 1549000 HMDB0240226 - Guanosine-5'-diphosphate 146-91-8 | 157420-46-7 | 105184-12-1 | 105184-46-1 135398619 HMDB0001201 C00035 9alpha,11alpha,15S-Trihydroxy-prosta-5Z, 13E-dien-1-oic acid, 1,9-lactone 55314-48-2 90473426 - - Sildenafil 139755-83-2 135398744 HMDB0005039 C07259 Acetylvalerenolic acid 81397-67-3 6439585 HMDB0035687 - Brazilin 474-07-7 73384 - C09920 Tofacitinib 477600-75-2 9926791 - - 13-L-Hydroperoxylinoleic acid 33964-75-9 5280720 HMDB0003871 C04717 4-Pregnen-17alpha,20beta-diol-3-one-20-sulfate 138949-80-1 46782782 - - 2-Aminohexadecanoic acid 7769-79-1 409322 - - Xanthosine-5'-monophosphate 523-98-8 73323 HMDB0001554 C00655 Averantin 5803-62-3 10044783 - C20499 3-(Pyrimidin-2-yl)propanoic acid 439108-20-0 5152885 - - 5-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)octan-3-one 77398-90-4 5317596 - - Tyrphostin B7 134036-53-6 21159215 - - N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]hexadecanamide 212707-51-2 10787968 - - Rescinnamine 24815-24-5 5280954 HMDB0015311 C06540 Proglumide 6620-60-6 | 24485-90-3 4922 - - Malabaricano 74683-16-2 13870570 HMDB0034179 - 4-Hydroxycinnamic acid 501-98-4 637542 HMDB0002035 C00811 (2E,6E)-2,6-bis(pyridin-4-ylmethylene)cyclohexanone 871361-88-5 | 18977-41-8 6018993 - - (3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylmethylidene)-2,3-Dihydro-1h-Indole-5-Sulfonamide 330161-87-0 5312137 - - Vialinin A 858134-23-3 11563133 - - N-Methyl-L-histidine 24886-03-1 90638 - C03298 Soyasaponin I 51330-27-9 122097 HMDB0034649 C08983 CYCLOPIAZONIC ACID 18172-33-3 54732361 - - 15S-hydroperoxy-11Z,13E-eicosadienoic acid 145375-41-3 5282869 - - beta-D-Glucopyranosyl (2alpha,3beta,4beta,19alpha)-2,3,19,23-tetrahydroxyolean-12-en-28-oate 55306-04-2 76972524 HMDB0034504 - 9,11-methane-epoxy Prostaglandin F1alpha 72517-81-8 53394560 - - Leu-Gln 38062-69-0 1574950 HMDB0028927 - Nordihydroguaiaretic acid 500-38-9 | 27686-84-6 4534 HMDB0012270 - Dinoterb 1420-07-1 14994 - C18671 Shikimic Acid 138-59-0 8742 HMDB0003070 C00493 Prostaglandin F2beta 4510-16-1 5280506 HMDB0001483 C02314 N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide 959151-50-9 25154868 - - Carglumic acid 1188-38-1 121396 HMDB0015673 C05829 3b-Hydroxy-5-cholenoic acid 5255-17-4 92997 HMDB0000308 - Troglitazone 97322-87-7 5591 - - 6-Chloro-5-methyl-1-((2-(2-methylpyrid-3-yloxy)pyrid-5-yl)carbamoyl)indoline 181632-25-7 3644637 - - Equol 531-95-3 91469 HMDB0002209 C14131 N-Formyl-Met-Leu-Phe 59880-97-6 443295 - - 2-Phthalimidoglutaric acid 6349-98-0 | 2301-52-2 92225 - - Dinoseb 88-85-7 6950 HMDB0032559 C14302 12-Hydroxyjasmonic acid 140631-27-2 5497122 - C21385 | C21669 Tolterodine 124937-51-5 443879 HMDB0015170 C07750 Paxilline 57186-25-1 105008 HMDB0030323 C13782 N-(3-nitrophenyl)decanamide 72298-61-4 5106032 - - Oxazepam glucuronide 6801-81-6 160870 HMDB0041969 - Salinomycin 53003-10-4 3085092 - - Ethyl tetradecanoate 124-06-1 31283 HMDB0034153 - 19R-hydroxy-PGF1alpha 81371-59-7 5283045 - - Bestatin hydrochloride 65391-42-6 11957481 - - 9-oxo-11R,15S-dihydroxy-1a,1b-dihomo-13E-prostaenoic acid 23452-98-4 5283099 - - 4-Chloro-4'-hydroxybiphenyl 28034-99-3 91589 - - 2-Acetamidophenol 614-80-2 11972 HMDB0061919 - Lyngbic acid 70607-97-5 11065049 - - 4,5-Dihydroxyphthalic acid 63958-66-7 45746 - C03233 N-Lignoceroyl Taurine 807370-75-8 53442599 - - (1-Hydroxy-3,7,11-trimethyldodeca-2,6,10-trienyl)phosphonic acid 148796-53-6 | 140633-12-1 5353399 - - 8-hydroxy-2'-deoxy Guanosine 3868-31-3 135406132 - - Rosavin 84954-92-7 9823887 - - 14(15)-Eet-SI 218461-97-3 91886141 - - 3-tert-Butyl-4-hydroxyanisole 121-00-6 8456 HMDB0059925 - Gly-Leu-Phe 103213-38-3 128287 - - Acetylleucine 99-15-0 1995 - - ethyl 2-cyano-3-(1h-indol-3-yl)prop-2-enoate 6286-56-2 95442 - - 6-Hydroxyflavanone 4250-77-5 2734580 - - (E)-5-(4-Methoxystyryl)benzene-1,3-diol 33626-08-3 6255462 - - N-(2-(4-Bromocinnamylamino)ethyl)-5-isoquinolinesulfonamide 127243-85-0 449241 - - [(3S)-3-Amino-4-[(3-hexylphenyl)amino]-4-oxobutyl]phosphonic acid 909725-63-9 6857803 - - 2-Undecyl-thiazolidine-4-carboxylic acid 298186-80-8 2727678 - - Codeine-6-glucuronide 20736-11-2 5489029 HMDB0060464 C16577 Methylprednisolone hemisuccinate 2921-57-5 16923 - - 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide 301836-41-9 4521392 HMDB0246120 - H-Leu-Asp-OH 32949-40-9 7019087 - - Derrubone 22044-58-2 5810067 - - 6-Chloro-7-{[2-(morpholin-4-yl)ethyl]amino}quinoline-5,8-dione 383907-43-5 379077 - - N3-(4-fluorophenyl)-1h-pyrazolo[3,4-d]pyrimidine-3,4-diamine 522629-08-9 11644425 - C75450 Nitenpyram 150824-47-8 | 120738-89-8 3034287 - C18511 PGF2alpha-EA 353787-70-9 5283076 - - Pomiferin 572-03-2 4871 - - Idelalisib 870281-82-6 11625818 - - Lankacidin C 23623-31-6 6440871 - - Leiocarposide 71953-77-0 156073 - - 4-Ethynylaniline 14235-81-5 3760025 - - 1-(tert-Butyl)-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine 221243-82-9 4877 - - 16,16-Dimethylprostaglandin A1 41692-24-4 5271806 - - (2r)-1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)propan-1-one 4842-48-2 821428 - - Oxyresveratrol 29700-22-9 | 4721-07-7 5281717 HMDB0128505 - Linustatin 72229-40-4 119301 - C08333 15(S)-HETE Ethanolamide 161744-53-2 91886095 - - Hydrocortisone sodium phosphate 6000-74-4 441406 - - Glyoxylic acid 298-12-4 760 HMDB0000119 C00048 Indolmycin 21200-24-8 135417159 - C21444 Vorinostat 149647-78-9 5311 HMDB0015568 - Nigericin 28380-24-7 34230 - - Elaidic acid 112-79-8 637517 HMDB0000573 C01712 Val-Pro-Leu 90614-49-6 146208 - - 5-(Diphenylphosphinyl)pentanoic acid 71140-70-0 10380172 - - N-(3-Indolylacetyl)-L-isoleucine 57105-45-0 644226 - - Docosahexaenoyl Serotonin 283601-58-1 52224409 - - Deacetyldiltiazem 42399-40-6 91638 HMDB0002873 - Asperuloside 14259-45-1 84298 - C09769 6-Hydroxycoumarin 6093-68-1 99477 HMDB0140948 - Amfonelic acid 15180-02-6 2137 - - 5-(4-nitrophenyl)-2-phenyl-4H-pyrazol-3-one 34320-83-7 2750328 - - Teprenone 6809-52-5 | 3796-63-2 5282199 HMDB0031846 - Dichlorprop-P 15165-67-0 119435 - C20685 | C72877 6-Maleimidocaproic acid 55750-53-3 573683 - - 6-Amino-N-[3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]phenyl]-3-pyridinecarboxamide 371942-69-7 9956222 - - Lactacystin 133343-34-7 6610292 - - Kifunensine 109944-15-2 130611 - - 1-O-Hexadecyl-2-O-ethyl-SN-glycero-3-phosphorylcholine 78858-42-1 24779410 - C00157 Carminic acid 1260-17-9 | 1390-65-4 10255083 HMDB0030658 - Shikonin 517-89-5 479503 - C15906 | C17412 Pamoic acid 130-85-8 | 108626-78-4 8546 - - Dinaciclib 779353-01-4 46926350 - - 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-3,6,8-trimethoxy- 57393-71-2 5386960 HMDB0137995 - Nb-Palmitoyltryptamine 21469-15-8 3726592 HMDB0040815 - Taurolithocholic acid 3-sulfate 15324-65-9 440071 HMDB0002580 C03642 Nbd-ceramide 94885-02-6 16219783 - - Imidocarb 27885-92-3 | 5318-76-3 21389 - - 4-Hydroxystyrene 2628-17-3 62453 HMDB0004072 C05627 LY-411575 209984-57-6 10435235 - - Robustic acid 5307-59-5 54677407 - - 5-Bromo-1-tetralone 68449-30-9 10889572 - - Icariin 489-32-7 5318997 - C17555 [4]-Gingerdiol 3,5-diacetate 53254-50-5 5318274 HMDB0039132 - Vulpinic acid 521-52-8 | 73622-57-8 54690323 - - Ala-His 3253-17-6 9837455 HMDB0028689 - 2-Dodecyl-3-methylbutanedioic acid 22139-54-4 99891 - - Macluraxanthone 5848-14-6 5281646 - - JWH 073-d7 1415744-43-2 53394763 - - 3-[[6-(3-Aminophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenol 601514-19-6 9549289 - - Thromboxane B1 64626-32-0 71668258 - - 4-Tert-butylphenoxyacetic acid 1798-04-5 15718 - - Docosahexaenoic Acid Glycine 132850-40-9 53393963 - - Paptga 62205-44-1 194146 - - Sinapaldehyde 4206-58-0 | 20649-43-8 5280802 - C05610 Chidamide 743420-02-2 9800555 - - 12-Methyltridecanoic acid 2724-57-4 520298 HMDB0031072 - 16-phenyl tetranor Prostaglandin E1 52344-27-1 35021687 - - Ginsenoside F1 53963-43-2 9809542 HMDB0039555 C20780 7-Hydroxy-3-(4-methoxyphenyl)-4-methylcoumarin 5219-16-9 5357627 - - Lovastatin acid 75225-51-3 64727 - C21130 Strictosidine 20824-29-7 161336 - C03470 Eicosapentaenoic acid 10417-94-4 446284 HMDB0001999 C06428 Ergonovine 60-79-7 443884 HMDB0015383 C07543 N-1-Naphthylbenzamide 634-42-4 69448 - - FFA(22:6) 25167-62-8 6442063 - - 9-deoxy-9-methylene-Prostaglandin E2 61263-32-9 5283059 - - 7-[(1R,2R,3R)-2-(4,4-difluoro-3-hydroxyoctyl)-3-hydroxy-5-oxocyclopentyl]heptanoic acid 475992-30-4 10271828 - - 2,3-Dihydroxynaphthalene 92-44-4 7091 - - Tetralithium 3-hydroxy-3-methyl-5-{[(phosphonatooxy)phosphinato]oxy}pentanoate 108869-00-7 71311891 - - Hydrocortisone acetate 50-03-3 | 42016-02-4 5744 - C02821 Neuronica 3155-48-4 | 1635-33-2 | 500-64-1 5369129 - - Domoic acid 14277-97-5 5282253 HMDB0033939 - 11-Oxoursolic acid acetate 35959-01-4 234102 - - Bardoxolone 218600-44-3 400010 - C74085 Gingerol 58253-27-3 3473 HMDB0005783 C10462 (+)-7-iso-Jasmonic acid 62653-85-4 7251183 - - Propyl pyrazole triol 263717-53-9 5040063 - - 7,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine 6266-58-6 22641 - - Cilastatin 82009-34-5 6435415 HMDB0015535 C01675 Docosahexaenoic acid 6217-54-5 445580 HMDB0002183 C06429 Navitoclax 923564-51-6 24978538 - - 2-Hydroxyisophthalic acid 606-19-9 11812 - - Atractyloside 17754-44-8 442004 - C09064 Red Violet 2RN Acid Anthraquinone 81-79-8 222169 - - 3-Hydroxymethylglutaric acid 503-49-1 1662 HMDB0000355 C03761 6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one 185039-91-2 447700 - - Ajmalicine 483-04-5 441975 - C09024 Licoisoflavone A 66056-19-7 5281789 HMDB0034125 C10486 Met-Tyr 13589-04-3 7009558 HMDB0028985 - 8-Desoxygartanin 33390-41-9 392450 HMDB0030701 - Apimaysin 74158-04-6 194566 HMDB0037421 - 3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid 86879-39-2 123979 HMDB0061112 - Nabilone 51022-71-0 5284592 HMDB0014629 - 5-(5-Chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-1H-pyrazole-3-carboxamide 558640-51-0 | 940289-57-6 4369536 - - Fissinolide 1915-69-1 | 11046-11-0 6451333 - - (2E)-3-(4-hydroxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one 69704-15-0 | 160210-32-2 5927890 HMDB0135609 - JWH 200 2'-naphthyl isomer 133438-66-1 10362604 - - 7-Keto-dehydroepiandrosterone 566-19-8 193313 - - Ethyl 3-formyl-2,4-dihydroxy-6-methylbenzoate 39503-14-5 3940691 - - Proanthocyanidin A2 41743-41-3 124025 HMDB0037655 C10237 Neohesperidin dihydrochalcone 20702-77-6 30231 HMDB0030542 - Lunarine 24185-51-1 6477011 - - 5-Methyltetrahydrofolic acid 134-35-0 | 31690-09-2 135415868 HMDB0001396 C90397 Morphine N-oxide 639-46-3 5362459 HMDB0029382 - 6-Ketoestriol 7323-86-6 11876959 HMDB0000530 - Glycyl-H 1152 dihydrochloride 913844-45-8 56972177 - - Phlorin 28217-60-9 476785 HMDB0035589 - Asp-Asp 58471-53-7 471583 - - Kyotorphin 70904-56-2 123804 HMDB0005768 C02993 1-(2-Hydroxy-4-methoxyphenyl)-3-phenylpropan-1-one 22141-31-7 1214726 HMDB0135615 - 3-Acetyl-11-keto-beta-boswellic acid 67416-61-9 11168203 HMDB0245953 - Ac-DEVD-CHO 169332-60-9 | 184179-08-6 644345 - - 4-Hydroxyphenylacetylglycine 28116-23-6 440732 HMDB0000735 C05596 Androsterone glucuronide 1852-43-3 114833 HMDB0002829 C11135 Ethofumesate 26225-79-6 33360 - C18829 Lacto-N-tetraose 14116-68-8 440993 HMDB0006566 C06371 2-Azidoethyl 2-Acetamido-2-deoxy-beta-D-glucopyranoside 142072-12-6 11608979 - - Combretastatin A4 117048-59-6 5351344 - C20268 Foramsulfuron 173159-57-4 11419598 - - Benzyl beta-D-Arabinopyranoside 5329-50-0 | 7473-38-3 11253445 - - 2-benzyl-4-(octahydro-1H-isoindol-2-yl)-4-oxobutanoic acid 145375-43-5 3047758 HMDB0015382 - Gibberellin A29 29774-53-6 14605548 - C06096 8-Demethyl-8-(dimethylamino)riboflavin 51093-55-1 49867612 - C21647 12-Methyltetradecanoic acid 5502-94-3 21672 - - Nodularin 118399-22-7 14217092 - - Aldehyde Reactive Probe (trifluoroacetate salt) 627090-10-2 91886087 - - Nicotinate adenine dinucleotide phosphate 5502-96-5 123952 - - s-Hexylglutathione 24425-56-7 97536 - C02886 Fraxin 524-30-1 5273568 - - alpha-Guanidinoglutaric Acid 73477-53-9 2105 - - Tandutinib 387867-13-2 3038522 - - Rebaudioside A 58543-16-1 6918840 HMDB0034950 - 3-Hydroxyoctanoic acid 14292-27-4 | 88930-08-9 | 120659-38-3 26613 HMDB0001954 C20793 Cyano-4-hydroxycinnamic acid 28166-41-8 5328791 - - 4-(3-Hydroxybutyl)phenol 69617-84-1 97790 - C17690 1-Oleoyl lysophosphatidic acid sodium salt 325465-93-8 | 22556-62-3 44159357 - - alpha-Hydroxytriazolam 37115-45-0 1963 HMDB0061053 - Niacinamide 98-92-0 936 HMDB0001406 C00153 2H-1-Benzopyran-7-ol, 3,4-dihydro-3-(2-hydroxy-3,4-dimethoxyphenyl)-,(3R)- 64474-51-7 10380176 HMDB0033189 - Alisol B 18649-93-9 15558620 - C17460 Ruxolitinib 941678-49-5 25126798 - - 11-Epimisoprostol 58717-36-5 72941572 - - Veratramine 60-70-8 6070 - C10829 Homovanillic acid sulfate 38339-06-9 29981063 HMDB0011719 - Lys-Phe-Tyr 63958-93-0 6710772 - - Phe-Trp 24587-41-5 134906 HMDB0029006 - Yohimbine 146-48-5 8969 HMDB0015464 C09256 Flonicamid 158062-67-0 9834513 - C18463 2-[[2-[[2-[(2-Amino-3-phenylpropanoyl)amino]acetyl]amino]-3-phenylpropanoyl]amino]acetic acid 59005-83-3 335053 - - 2-Chloro-4-methylphenol 6640-27-3 14851 - - (1-Butyl-2-methyl-1H-indol-3-yl)-1-naphthalenylmethanone 155471-09-3 44368310 - - L-Alanyl-L-tryptophan 16305-75-2 85362 HMDB0013209 - Cellobiotol 535-94-4 160514 - - Pelitinib 257933-82-7 | 326894-84-2 6445562 - - Piperine 94-62-2 638024 HMDB0029377 C03882 N-trans-p-Coumaroyloctopamine 66648-45-1 23874492 HMDB0032804 - Lucidin 478-08-0 10163 - - Vitamin K 12001-79-5 | 81818-54-4 | 10485-69-5 | 27696-10-2 5280483 HMDB0015157 C02059 Quinacrine 83-89-6 237 HMDB0015235 C07339 Leupeptin 55123-66-5 | 103476-89-7 | 24365-47-7 72429 - - Cefoperazone 62893-19-0 | 62893-20-3 | 113826-44-1 44187 HMDB0015424 C06883 Atrinositol 28841-62-5 65762 - - 3-methyl-N-naphthalen-2-ylbutanamide 6286-27-7 222943 - - Psilocin 520-53-6 4980 HMDB0042000 C08312 Oxamflatin 151720-43-3 5353852 - - (E)-11-methyldodec-2-enoic acid 677354-24-4 11435803 - - Latanoprost ethyl amide 607351-44-0 10287826 - - Nicotinamide riboside 1341-23-7 439924 HMDB0000855 C03150 4-O-beta-D-glucosyl-4-coumaric acid 14364-05-7 9840292 HMDB0039509 C04415 (1S-endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide 192703-06-3 3081355 - - Tectoridin 611-40-5 5281810 - - 2-[2-[19-Acetamido-6-(3,4-dicarboxybutanoyloxy)-16,18-dihydroxy-5,9-dimethylicosan-7-yl]oxy-2-oxoethyl]butanedioic acid 117415-47-1 14077782 HMDB0034699 - beta-Acetyldigoxin 5355-48-6 10350481 - C22190 Fluvoxamine Acid 88699-91-6 46781630 HMDB0060950 - 4'-Hydroxychalcone 2657-25-2 | 38239-52-0 5282362 HMDB0135603 - Melilotoside 618-67-7 5280759 HMDB0033581 C05158 Hyperforin 11079-53-1 441298 HMDB0030463 C07608 Vatalanib 212141-54-3 151194 - - PC(18:0/18:2) 27098-24-4 6441487 HMDB0008039 C00157 1-(2,6-Dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one 35241-54-4 3084606 HMDB0140286 - N-Hydroxybenzenesulfonamide 599-71-3 69033 - - 4-(Benzhydryloxy)-1-[3-(1H-tetraazol-5-YL)propyl]piperidine 162641-16-9 6540277 - - Irisxanthone 51419-56-8 5281637 - C10067 (1S,3Z,5R,7R)-3-[(3,4-dihydroxyphenyl)-hydroxy-methylene]-1-[(2S)-2-isopropenyl-5-methyl-hex-4-enyl]-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]nonane-2,4,9-trione 78824-30-3 5281560 HMDB0039154 C09929 (-)-erythro-Anethole glycol 2-glucoside 217973-39-2 45360332 HMDB0033067 - Bifonazole 60628-96-8 2378 HMDB0015583 - Kaempferol 3-sophoroside-7-glucoside 55136-76-0 12960460 HMDB0037207 - Robinetin 490-31-3 5281692 - - Zinniol 17811-28-8 87317 - - alpha-Peltatin 568-53-6 92129 - - Prolyl-cysteine 121491-14-3 44467438 HMDB0029014 - 5beta-Cholanic acid 546-18-9 92803 - C19642 Glabridin 59870-68-7 124052 HMDB0034188 - Ile-Leu 26462-22-6 7019083 HMDB0028911 - 3',5'-Cyclic IMP 3545-76-4 135398663 - C00943 2'-Hydroxy-4,4',6'-trimethoxychalcone 3420-72-2 5355469 HMDB0033586 - Ouabagenin 508-52-1 12313812 - - 3,4-Methylenedioxycinnamic acid 2373-80-0 | 38489-76-8 643181 - C18077 Santin 27782-63-4 5281695 - - Monensin 17090-79-8 441145 - C06693 Latrunculin a 76343-93-6 445420 - - Norethindrone acetate 51-98-9 5832 - C08152 Fmoc-L-leucine 35661-60-0 1549133 - - Tyr-Ala 730-08-5 5496455 HMDB0029098 - (-)-9,10-Dihydrojasmonic acid 76968-33-7 | 98674-52-3 644120 HMDB0033601 - Pro-Air 60443-17-6 | 72332-33-3 4916 HMDB0015453 - Rhodotoxine 1030234 442034 - C09103 3'alpha-Isopravastatin 81131-74-0 157787 - - Tralkoxydim 87820-88-0 135492483 - C18769 Carbenoxolone 5697-56-3 636403 - - Thymidine-5'-triphosphate 365-08-2 64968 HMDB0001342 C00459 Olopatadine 113806-05-6 5281071 HMDB0014906 C07789 2-Hydroxy-3-methylquinoxaline 14003-34-0 26384 - - Mefexamide 1227-61-8 4045 - - 3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid 69119-31-9 14379528 HMDB0030830 - 4-O-Methylpinosylvic acid 149697-30-3 67322417 HMDB0040868 - Vicenin 2 23666-13-9 3084407 HMDB0030708 C10195 L-Dihydroorotic acid 5988-19-2 439216 HMDB0003349 C00337 Isoroquefortine 58735-64-1 | 68628-81-9 6436831 HMDB0030381 - Rosuvastatin 287714-41-4 446157 HMDB0015230 - Photobarbatusin I 62288-03-3 321248 - - (5S,6R,7E,9E,11Z,13E,15R)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid 171030-11-8 9841438 - - Lobaric acid 522-53-2 73157 - - Ibipinabant 464213-10-3 9826744 HMDB0001372 - 1,2-Diphenylhydrazine 122-66-7 | 38622-18-3 31222 - - 14,15-Leukotriene C4(ExC4) 206059-96-3 42607491 HMDB0009815 - 1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole 162054-19-5 115239 - - Lys-Asn 19908-06-6 11219156 HMDB0028946 - [4-[(4-acetamidobenzoyl)amino]phenyl] (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3R)-3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-5-enoate 62873-55-6 6449809 - - Colforsin daropate hydrochloride 138605-00-2 444028 - - Lys-Gln-Ala-Gly-Asp-Val 80755-87-9 4615194 - - 16,16-dimethyl-6-keto Prostaglandin E1 75874-32-7 10905349 - - Naltrindole 111555-53-4 5497186 - C18128 k-Strophanthoside 33279-57-1 20055295 - - His-Phe 16874-81-0 152198 HMDB0028892 - 3',4'-Dimethoxy-2'-hydroxychalcone 82964-34-9 | 7478-65-1 5385206 HMDB0133973 - 5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin 25440-14-6 135401562 - - 1-Oxazolo[4,5-B]pyridin-2-YL-1-dodecanone 288862-73-7 9972176 - - (-)-Oleoside 11-methyl ester 60539-23-3 131753164 HMDB0041550 - Piretanide 55837-27-9 4849 - - tetranor-PGAM 52510-53-9 58560006 - - Nomilin 1063-77-0 72320 HMDB0035772 C08773 Prostaglandin D2 methyl ester 49852-81-5 6437829 - - 7-oxo-11-Dodecenoic acid 54921-60-7 4374065 - - Glucoliquiritin apioside 157226-47-6 74819335 HMDB0041149 - Ile-Ser 6403-14-1 7021815 HMDB0028916 - Saikosaponin A 20736-09-8 167928 - C08975 11-Oxo-prosta-5Z,12E,14Z-trien-1-oic acid 596104-94-8 58713917 - - gamma-D-Glutamylglycine 6729-55-1 6604701 - - Cortisol 21-sulfate 1253-43-6 102172 HMDB0062779 - 3,5,7,8-Tetrahydro-2-[4-(trifluoromethyl)phenyl]-4H-thiopyrano[4,3-d]pyrimidin-4-one 284028-89-3 135418940 - - Lactupicrin 65725-11-3 174880 HMDB0035828 C09490 Cephalexin 15686-71-2 27447 HMDB0014707 C06895 Aldehydo-D-Fucose 3615-37-0 94270 - - Hematoporphyrin 14459-29-1 | 136752-88-0 11103 HMDB0000668 - Livalo 147511-69-1 | 147526-32-7 24848419 HMDB0041991 - (20S)-17,20-dihydroxypregn-4-en-3-one 652-69-7 440368 HMDB0011653 C04518 Dermorphin 77614-16-5 5485199 - C20030 D-erythro-Imidazoleglycerol Phosphate Monohydrate 210241-69-3 4150434 - - beta-D-gentiobiosyl crocetin 55750-85-1 10461942 - C19869 6-(2-Chloroallylthio)purine 6969-17-1 3247797 - - N2,N2-Dimethylguanosine 2140-67-2 135501639 - C74036 3-Hydroxy-1-(4-hydroxyphenyl)-1-propanone 53170-93-7 638759 HMDB0040645 - 15(S)-15-methyl-PGD2 85280-90-6 5283051 - - 11-Keto-beta-boswellic acid 17019-92-0 9847548 HMDB0036671 - 6-Benzylamino-2-(2-hydroxyethylamino)-7-methylpurine 101622-50-8 512292 - - Met-Ser 14517-43-2 7009592 HMDB0028982 - 17-phenyl trinor Prostaglandin A2 38315-51-4 58713918 - - [4-({6-[Allyl(methyl)amino]hexyl}oxy)-2-fluorophenyl](4-bromophenyl)methanone 161582-11-2 1949 - - Stearidonic acid 20290-75-9 5312508 HMDB0006547 C16300 Dodecyl glucopyranoside 59122-55-3 | 85618-22-0 93321 - C16041 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine 26853-31-6 5497103 HMDB0007972 C00157 17beta-Estradiol 3-(beta-D-glucuronide) 15270-30-1 440713 HMDB0006224 C05503 N-Palmitoylsphingomyelin 6254-89-3 9939941 HMDB0010169 - Crocin 42553-65-1 5281233 HMDB0002398 C08589 Verapamil 52-53-9 2520 HMDB0001850 C07188 Yohimbic Acid 522-87-2 72131 - - 20-trifluoro Leukotriene B4 115178-97-7 5283133 - - Cyclo(D-trp-D-asp-pro-D-val-leu) 136553-81-6 | 136655-57-7 443289 - C72461 5Z,8Z,11Z,14Z-Eicosatetraenedioic acid 79551-84-1 6437827 - - Testosterone glucuronide 1180-25-2 108192 HMDB0003193 C11134 8-Hydroxyquinoline 148-24-3 1923 - C19434 Cynaropicrin 35730-78-0 119093 HMDB0036423 C09385 FFA(22:5) 24880-45-3 5497182 HMDB0006528 C16513 9,12-Octadecadiynoic Acid 2012-14-8 1931 HMDB0247623 C16300 4-Fluorophenylacetic acid 405-50-5 9837 - - Taurodeoxycholic acid 516-50-7 2733768 HMDB0000896 C05463 2-Hydroxy-2-phenylpropanoic acid 515-30-0 | 4607-38-9 1303 HMDB0142137 - 4-(2-Aminophenyl)-2,4-dioxobutanoic acid 90924-76-8 472 HMDB0000978 C01252 Hydron;2-hydroxypropane-1,2,3-tricarboxylate 106168-20-1 | 106809-03-4 | 117148-05-7 | 125139-08-4 | 125139-09-5 | 125139-13-1 | 153301-06-5 | 16922-05-7 19782904 - - Sedoheptulose 3019-74-7 5459879 HMDB0003219 - 2-Phenylethyl acetate 103-45-7 7654 HMDB0033945 C12303 Succinic acid semialdehyde 692-29-5 1112 HMDB0001259 C00232 O-Succinyl-L-Homoserine 1492-23-5 439406 HMDB0255868 C01118 Luteoforol 24897-98-1 114505 HMDB0041310 C05907 2-Methylglutaric acid 617-62-9 12046 HMDB0000422 - Pyruvic Acid 127-17-3 1060 HMDB0000243 C00022 Vasicine 18549-38-7 442929 - - Geranyl diphosphate 763-10-0 445995 HMDB0001285 C05847 2,6-beta-delta-Fructan 9013-95-0 22833608 HMDB0003539 C01355 Sorbitol 50-70-4 5780 HMDB0000247 C00794 1,5-Anhydro-D-fructose 75414-43-6 126517 HMDB0041561 C06485 Dehydro-D-arabinono-1,4-lactone 138760-70-0 54675775 - C06316 Afzelechin 2545-00-8 442154 HMDB0030823 C09320 L-Erythrulose 533-50-6 5460032 HMDB0006293 C02045 Tetrahydrodipicolinate 4226-22-6 440179 HMDB0012289 C03972 3,4-Dihydroxyphenylglycol, (R)- 109835-90-7 6951097 - - D-fructofuranose 10247-46-8 439163 - C00095 Cinnamic Acid 140-10-3 444539 HMDB0000930 C10438 D-Lyxose 10257-34-8 | 10257-35-9 439240 HMDB0003402 C00476 Lyxo-2-Hexulose 87-81-0 | 17598-81-1 92092 HMDB0000660 - (-)-leukotoxin B 503-07-1 | 32381-42-3 5281128 HMDB0004702 C08368 Homocitric acid 3562-74-1 28371 HMDB03518 - Versicolorin A 6807-96-1 638297 - C20583 4,4'-Dihydroxy-3,5-dimethoxydihydrostilbene 39499-96-2 442701 - - Acadesine 2627-69-2 17513 HMDB0062179 - 4-Hydroxybutyric acid 591-81-1 10413 HMDB0000710 C01991 Cryptopleurine 482-22-4 92765 - - Isoambrettolide 28645-51-4 5355293 HMDB0032340 - Kobusone 24173-71-5 6710676 - - 1,1-Dimethoxynonane 18824-63-0 87813 HMDB0034151 - L-glyceraldehyde 497-09-6 439723 - C02426 Mansonone C 5574-34-5 21742 - - 3,6-Dimethoxy-19-norpregna-1,3,5,7,9-pentaen-20-one 5836-99-7 259027 - - Guvacine 498-96-4 3532 - C10149 (2S)-2-azaniumylpropanoate 18875-37-1 | 25191-17-7 7311724 - - Isoniazid 54-85-3 3767 HMDB0015086 C07054 Hexanoic acid 142-62-1 8892 HMDB0000535 C01585 3-Phorbinepropanoic acid, 21-carboxy-9-ethenyl-14-ethyl-4,8,13,18-tetramethyl-20-oxo-, (3S,4S,21R)- 72939-69-6 175336 - C18063 Perazine 84-97-9 4744 - C16903 N-Glucosylnicotinate 25905-63-9 439878 - C03003 3D-3,5/4-trihydroxycyclohexane-1,2-dione 949461-91-0 24771766 - C04287 gamma-Glutamyl phosphate 13254-53-0 193475 HMDB0001228 C03287 Sodium dodecyl sulfate 151-21-3 | 12738-53-3 | 12765-21-8 | 1334-67-4 3423265 - - Mintsulfide 72445-42-2 14564587 HMDB0038151 - Sulfolithocholic acid 34669-57-3 451489 - - 11,12,14-Trihydroxy-7-methoxy-8,11,13-abietatrien-20,6-olide 197649-67-5 131751217 HMDB0031932 - 8-Oxohexadecanoic acid 2777-52-8 5283001 HMDB0030972 - Plakortic acid 87803-10-9 10402441 - C17158 (2alpha,3alpha,5alpha,22R,23R)-2,3,22,23-Tetrahydroxy-25-methylergost-24(28)en-6-one 111618-87-2 13991214 HMDB0039443 - L-Threonine 72-19-5 6288 HMDB0000167 C00188 Coniferyl alcohol 32811-40-8 1549095 HMDB0012915 C00590 Vanylglycol 534-82-7 10805 HMDB0001490 C05594 Tingenone 50802-21-6 101520 - - Fumarate 142-42-7 5460307 - - 5-Methoxyindoleacetate 3471-31-6 18986 HMDB0004096 C05660 1,8-Diazacyclotetradecane-2,9-dione 56403-09-9 16 HMDB0033567 C04277 | C20990 Cetrimide 1119-97-7 | 8044-71-1 14250 - - Benzosimuline 198336-58-2 5321951 HMDB0031930 - L-3-Hydroxykynurenine 606-14-4 11811 HMDB0011631 C03227 N2-Succinyl-L-ornithine 899816-95-6 127370 HMDB0001199 C03415 Oxyayanin A 549-17-7 5281676 - - Diphenolic acid 126-00-1 | 224963-03-5 67174 - - Trimethoprim 738-70-5 5578 HMDB0014583 C01965 Kalihinol A 91294-83-6 185105 - - Sphingosine 1-phosphate 26993-30-6 5283560 HMDB0000277 C06124 Homodihydrocapsaicin 20279-06-5 3084336 HMDB0036330 - Escitalopram 128196-01-0 146570 HMDB0005028 - Samaderin A 64364-76-7 441807 - C08781 8-Hydroxydemethylclomipramine 104061-28-1 10018695 HMDB0060803 - Stanolone benzoate 1057-07-4 13987 - - Somniferine 117611-63-9 14106343 HMDB0038585 - Tutin 2571-22-4 75729 - C09570 L-Dopa 59-92-7 6047 HMDB0000181 C00355 Formylanthranilic acid 3342-77-6 101399 HMDB0004089 C05653 alpha,alpha'-Diethyl-3,4,4'-stilbenetriol 71113-07-0 3035966 - - L-Valine 72-18-4 6287 HMDB0000883 C00183 Brevianamide A 38136-92-4 99771 HMDB0030380 - (8Z,22E)-4-hydroxy-26-methoxy-2-oxa-11,15,20-triazatricyclo[22.2.2.13,7]nonacosa-1(26),3,5,7(29),8,22,24,27-octaene-10,21-dione 33442-48-7 6442669 - - 7(14)-Bisabolene-2,3,10,11-tetrol 122470-42-2 73816843 HMDB0035918 - Hexahydro-1-[4-(9-benzyl-9H-fluorene-9-yl)-2-butynyl]-1H-azepine 371172-31-5 656736 - - Puromycin 53-79-2 | 58-58-2 439530 - C01610 17a-Aza-D-homoandrost-5-en-3beta-ol 6961-52-0 247855 - - Raucaffricine 31282-07-2 5280486 - C02074 6-Hydroxy-5,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydro-4H-chromen-4-one 6626-61-5 245874 - - Homocapsaicin 58493-48-4 6442566 HMDB0036329 - cis-2-Carboxycyclohexyl-acetic acid 14715-37-8 656884 - C14112 Petasitenine 60102-37-6 5281741 HMDB0030328 C10359 2-amino-5-formylamino-6-(5-phosphoribosylamino)pyrimidin-4(3H)-one 88299-87-0 135476781 - - Mevalonic acid 17817-88-8 439230 HMDB0000227 C00418 Mucronustyrene 21148-34-5 12312982 HMDB0130347 - Fragransol A 114394-19-3 14015411 HMDB0033537 - Eurycomalactone 23062-24-0 441793 - C08759 4-Aminoestra-1,3,5(10)-triene-3,17beta-diol 6301-88-8 238388 - - Croconazole 77175-51-0 2880 - - Koenigine 12626-17-4 5318825 HMDB0030203 - Tricyclodehydroisohumulone 56143-68-1 442926 HMDB0030165 C10723 Homaline 20410-93-9 442860 - C10599 2-Undecyl-4(1H)-quinolinone 56183-46-1 10063343 HMDB0032996 - 2-Aminoethyl dihydrogen phosphate 1071-23-4 1015 HMDB0000224 C00346 7,3'-Dihydroxy-4'-methoxy-8-methylflavan 87733-81-1 442358 - C09646 Lucanthone 479-50-5 10180 HMDB0015607 C11715 Piperlongumine 20069-09-4 637858 HMDB0030341 C10166 4-(Methylsulfanyl)-2-oxobutanoic acid 583-92-6 473 HMDB0001553 C01180 Sekisanolin 507-79-9 5321780 - - 7alpha,12alpha-Dihydroxy-3-oxochol-4-en-24-oic Acid 13587-11-6 5283996 HMDB0000447 C15568 Ancistrotectorine 98985-59-2 179169 - C12340 13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid 150147-08-3 6366720 HMDB0040901 - Orphenadrine 83-98-7 4601 HMDB0015304 C07935 Apo-10'-violaxanthal 17237-68-2 131752515 HMDB0039018 - 3,4-Dihydroxymandelaldehyde 13023-73-9 151725 HMDB0006242 C05577 Sclareol 515-03-7 | 86023-49-6 163263 HMDB0036827 C09183 3,4-Dihydro-8,9-dihydroxy-1(2H)-anthracenone 10183-94-5 251427 - - Dehydrocarpaine I 72362-02-8 131750991 HMDB0030271 - 3-(4-Hydroxy-3-methoxyphenyl)propanal 80638-48-8 529899 - - 3-(1,1-Dimethyl-2-propenyl)-8-(3-methyl-2-butenyl)xanthyletin 30310-55-5 14604074 HMDB0030730 - Estradiol benzoate 50-50-0 222757 - - Megestrol 3562-63-8 19090 HMDB0014495 C07120 Daphnoline 479-36-7 261477 - C09418 (3alphaOH,20S,24S)-3,19:20,24-Diepoxydammarane-3,25-diol 189031-58-1 73804808 HMDB0034683 - Dihydrosterigmatocystin 6795-16-0 21596453 - C20445 Epinephrine sulfate 77469-50-2 3035453 HMDB0001876 - O-Demethylforbexanthone 178062-91-4 45269778 HMDB0036339 - Hemibrevetoxin B 122271-91-4 6442821 - C20016 9alpha-Fluoro-11beta-hydroxy-6alpha-methyl-4-pregnene-3,20-dione 378-38-1 251870 - - Picrasin G 35598-69-7 182244 - C17054 BQ 518 136554-29-5 443291 - - 3-Decanone 928-80-3 13576 HMDB0032212 - Epidihydrophaseic acid 60102-38-7 14160513 HMDB0038661 - Vitamin E Nicotinate 16676-75-8 | 43119-47-7 | 51898-34-1 27990 - - Stearaldehyde 638-66-4 12533 HMDB0002384 C01838 Glycochenodeoxycholic acid 640-79-9 12544 HMDB0000637 C05466 Tamoxifen 10540-29-1 2733526 HMDB0014813 C07108 3-Hydroxytetradecanoylcarnitine 282523-64-2 71464541 HMDB0061640 - Norethisterone enanthate 3836-23-5 229295 - - D-Glucono-1,5-lactone 6-phosphate 2641-81-8 439452 HMDB0001127 C01236 3,4-Hexahydroxydiphenoylarabinose 19833-16-0 131751527 HMDB0034113 - 4-O-beta-D-mannopyranosyl-N-acetyl-D-glucosamine 186765-90-2 71297235 - C20887 5-Hydroxyconiferaldehyde 249647-14-1 5282094 - - 2,3-Dihydro-4-(4-methoxyphenyl)-1H-phenalene-1,2,3-triol 163811-78-7 74027046 HMDB0041399 - Jasmolin II 1172-63-0 12304690 - - Ribulose 5-phosphate 4151-19-3 439184 HMDB0000618 C00199 Dihydrodeoxy-8-epiaustdiol 58957-07-6 76551322 HMDB0031668 - Ansamitocin P-3 66584-72-3 5282049 - - Cibaric acid 130523-93-2 6438613 HMDB0038580 - 4-Hydroxyphenylacetaldoxime 23745-82-6 5460411 - C04350 Buspirone 36505-84-7 2477 HMDB0014633 C06861 Cybutryne 28159-98-0 91590 - C10927 Maculine 524-89-0 68232 - - cis-3-Hexenyl benzoate 25152-85-6 5367706 HMDB0033379 - Normetanephrine 97-31-4 1237 HMDB0000819 C05589 Isococculidine 60229-91-6 442300 - C09546 Nagilactone C 24338-53-2 72505 - - 2b,3a,7a,12a-Tetrahydroxy-5b-cholanoic acid 60696-60-8 53477680 HMDB0000316 - Faicar 13018-54-7 166760 HMDB0001439 C04734 Chlorcyclizine 82-93-9 2710 HMDB0240224 - Pifithrin-Beta 60477-34-1 443278 - C11571 2-(Hydroxymethyl)-6-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl)methoxy]oxane-3,4,5-triol 56775-64-5 4155678 HMDB0041515 - Tentoxin 28540-82-1 5281143 - C08441 Picrasin E 33204-38-5 182116 - C17052 Dodecanoic acid 143-07-7 3893 HMDB0000638 C02679 Phenylpropionylglycine 56613-60-6 152323 HMDB0000860 - Casimiroin 477-89-4 124075 HMDB0033349 C10654 Haplophytine 16625-20-0 442103 - C09208 Normonal 73803-48-2 636401 - - Neoacrimarine F 195057-36-4 131751137 HMDB0031112 - 1-(3-Furanyl)-6,7-dihydroxy-4,8-dimethyl-1-nonanone 66472-04-6 47945 HMDB0038153 - (4R,5S,15R)-15-[(2S,3R,4R)-3,4-dihydroxy-6-methyl-5-methylideneheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one 85228-11-1 101608671 HMDB0034086 - Paspalinine 63722-91-8 9867531 - C20554 Unii-56S6M39J5V 723-61-5 15559678 - - 1a,3,5,6,7,7a-Hexahydro-5-methyl-1a-(3-methyl-2-butenyl)-2H-oxireno[g][2]benzopyran-2,6,7-triol, 9CI 163365-14-8 85503029 HMDB0041324 - Oxolinic acid 14698-29-4 4628 - - 3-Phosphoglyceric acid 3443-58-1 439183 HMDB0060180 C00197 3-Hydroxydodecanedioic acid 34574-69-1 16663321 HMDB0000413 - Cinnzeylanol 62394-04-1 44559448 HMDB0036010 - 2,4-Dinitro-3'-nitrodiphenyl ether 2548-97-2 221812 - - Narciclasine 29477-83-6 72376 - C08533 Borreverine 51109-65-0 442020 - C09082 7-Epizucchini factor A 138008-05-6 131751984 HMDB0036403 - 3-Hydroxytetradecanedioic acid 73179-89-2 20848956 HMDB0000394 - 2-Carboxy-1-[5-(2-carboxy-1-pyrrolidinyl)-2-hydroxy-2,4-pentadienylidene]pyrrolidinium 214150-43-3 131751678 HMDB0035173 - Methyl (9Z)-8'-oxo-6,8'-diapo-6-carotenoate 101034-51-9 11046403 HMDB0031979 - Cuauchichicine 545-60-8 200141 - - Jatrophone 29444-03-9 5281373 - - 4-Phenethylphenol 6335-83-7 80630 - - Isoamericanol A 133838-66-1 6444016 HMDB0039740 - Callichiline 31230-09-8 5462424 - C09088 Cinerin II 121-20-0 5281548 - C09846 Albonoursin 1222-90-8 6109346 - C20520 Benzo[b]naphtho[2,1-d]thiophene 239-35-0 9198 - C20124 Lactapiperanol C 243447-93-0 85158920 HMDB0033630 - Daphnandrine 1183-76-2 442214 - C09415 Ganoderiol G 114567-48-5 15602268 HMDB0037780 - alpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol 5860-94-6 231445 - - Brassicanal C 137761-23-0 11954907 HMDB0038589 - Bafetinib 859212-16-1 11387605 HMDB0240206 - 9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)- 149231-15-2 164480 - - N-Acetylmannosamine 7772-94-3 11096158 HMDB0001129 C00645 Benz[a]anthracene 56-55-3 5954 - - Canthiumine 26195-90-4 5281584 - C10000 2-(3-chloro-4-methylanilino)-N-(4-fluorophenyl)acetamide 6871-18-7 1662920 - - Dicaffeoylputrescine 60422-23-3 11538839 HMDB0033467 - 7b-Hydroxy-3-oxo-5b-cholanoic acid 77060-26-5 22833531 HMDB0000541 - 6-Benzylaminopurine 1214-39-7 62389 HMDB0039238 C11263 6-Acetylmorphine 2784-73-8 5462507 HMDB0041812 - Norbutorphanol 3792-68-5 5490068 HMDB0041954 - Clofazimine 2030-63-9 2794 HMDB0014983 C06915 Pandamine 10233-81-5 442576 - C10012 C.I. Acid Red 114 6459-94-5 22960 - C19209 Dioncophylline A 60142-17-8 443773 - - Fenpropimorph 67564-91-4 93365 HMDB0037270 C18787 2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline 95896-78-9 104739 HMDB0032928 - LPE(20:4/0:0) 652149-09-2 42607465 HMDB0011517 C04438 (3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one 35943-38-5 12314746 HMDB0036603 - [(1R,3S,4R,8R,9E,13R,15R)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-(hydroxymethyl)prop-2-enoate 27470-84-4 22524143 - - Columbianetin 3804-70-4 92201 - C19707 Biperiden 514-65-8 2381 HMDB0014948 C07941 Vignatic acid A 181485-19-8 85210698 HMDB0033599 - Icacine 64999-57-1 441739 - C08690 Savinin 493-95-8 5281867 - - Acronycidine 521-43-7 95708 - - Basic red 2 477-73-6 | 69882-16-2 2723800 - C19919 Estrogens, Conjugated 16680-47-0 | 12126-59-9 23676225 - - Zygadenine 545-45-9 442987 - C10831 Psychotridine 52617-25-1 171175 - C09233 [(1R,3S,4R,8R,9Z,13R,15S)-15-hydroxy-5-methylidene-6-oxo-7,14,16-trioxatetracyclo[8.4.3.01,13.04,8]heptadec-9-en-3-yl] 2-methylprop-2-enoate 27428-86-0 6436299 - - Estradiol-17-phenylpropionate 26443-03-8 68577 - - Decaline 14727-56-1 167158 - - (E,E,E)-Sylvatine 42438-80-2 131750975 HMDB0030186 - Dauricine 524-17-4 24721429 - - Isolobinine 530-12-1 442643 - C10153 Pyriminobac [ISO] 136191-56-5 20056437 - - cis-Caffeic acid 4361-87-9 1549111 HMDB0003501 C01481 6alpha-Fluoro-17-hydroxy progesterone acetate 336-78-7 230945 - - N-Acetyl-L-tyrosine 537-55-3 68310 HMDB0000866 C01657 Hippomane factor M1 33465-16-6 6440991 - - Chlorophorin 537-41-7 5281713 - - 5,7-Dihydroxy-8-prenylflavone 34125-75-2 5281903 - - 6alpha-Hydroxycortisol 2242-98-0 254633 - - 1-(3,4-Dimethoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol 10535-17-8 193461 - C21419 Digitogenin 511-34-2 441886 - C08896 Tricrozarin A 107817-60-7 129974 - - Talaromycin A 83720-10-9 158564 HMDB0030143 - Isatidine 15503-86-3 5281734 - - 4',6-Dihydroxy-5,7-dimethoxyflavanone 6951-57-1 244949 - - 3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one 846-66-2 | 51300-04-0 241545 - - Cercosporin 35082-49-6 91617 - - Farnesyl acetate 4128-17-0 638500 HMDB0240268 - Euglobal VII 77794-64-0 131750947 HMDB0030037 - 3,6-Dimethylmangostin 15404-76-9 231412 HMDB0036597 - Thiothixene 5591-45-7 941651 HMDB0015560 D00374 D-Ribitol-5-phosphate 35320-17-3 | 3506-18-1 | 51584-96-4 151104 - C01068 Citraconic Acid 498-23-7 643798 HMDB0000634 C02226 (3S,8S,9R,10R,13R,14S,17R)-17-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-3-hydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one 4965-97-3 441813 - C08789 ganoderic acid S 104759-35-5 | 16929-95-6 12444571 HMDB0035888 - N-Methyl-4-dimethylallyltryptophan 75917-16-7 68294649 - C20410 16alpha-Bromo-17beta-estradiol 54982-79-5 66401 - - Calafatimine 77793-42-1 442184 - C09369 Oxidized-adrenal-ferredoxin 329-65-7 838 HMDB0062515 - Mahanimbinine 30048-24-9 131750980 HMDB0030226 - b-Citraurinene 58947-97-0 131751848 HMDB0035686 - Citranaxanthin 3604-90-8 6436724 HMDB0036883 - Dihydropteroate 2134-76-1 135398662 HMDB0001412 C00921 Gancaonin Q 134958-52-4 480802 HMDB0038875 - Rubrophen 5664-34-6 251430 - - Toremifene 89778-26-7 3005573 HMDB0014679 C08166 Protriptyline 438-60-8 4976 HMDB0014488 C07408 Polyethylene, oxidized 68441-17-8 24847855 HMDB0032472 - Ridaforolimus 572924-54-0 11520894 - - Nevskin 61490-17-3 495442 HMDB0030162 - 10-Formyltetrahydrofolic acid 2800-34-2 135398556 - C00234 Aralionine A 21761-48-8 5281583 - C09999 Methylisoeugenol 6379-72-2 | 93-16-3 | 6380-24-1 | 54349-79-0 637776 HMDB0041553 - Neodunol 53766-53-3 44257431 HMDB0033743 - Staphidine 59588-15-7 431675 - - Pronetalol 54-80-8 4930 - - Thalidasine 16623-56-6 159795 - C09656 6-Deoxohomodolichosterone 110345-06-7 13870434 HMDB0034430 - Crinamidine 6793-66-4 399204 - C12168 Secoisotetrandrine 187144-80-5 85174872 HMDB0031138 - Nonaprenyl-4-hydroxybenzoate 38332-13-7 6443777 HMDB0032488 C03885 Fentanyl 437-38-7 3345 HMDB0014951 - Win VI 98034-30-1 1786 - C06490 Sodium cyclamate 139-05-9 | 61373-78-2 23665706 - C19378 Nigakilactone I 26121-56-2 12313355 - C17050 heliocide H4 64960-68-5 25203493 HMDB0035298 - HMBOA-Glc 17622-26-3 77195052 HMDB0037263 - 2-((4-Methoxy-3-methyl-2-pyridylmethyl)sulfo)-5-trifluoromethyl-1H-benzimidazole 86604-69-5 128828 - - Severin 139165-01-8 5363185 HMDB0040793 - Spiredine 60062-45-5 11953914 - C08711 Piperochromenoic acid 110979-01-6 13845938 HMDB0040635 - Rugosal 121387-05-1 442391 - C09717 Citrusin E 134860-03-0 131752581 HMDB0039234 - 9alpha-Fluoro-11beta-hydroxy-2alpha-methyl-4-pregnene-3,20-dione 61046-49-9 228601 - - Tetrahymanol 2130-17-8 168951 HMDB0006836 C06083 Prilocaine 721-50-6 4906 HMDB0014888 C07531 FFA(11:0) 112-37-8 8180 HMDB0000947 C17715 Myrsinone 145040-57-9 137177207 HMDB0040646 - 3-(Hexadecyloxy)-2-hydroxypropyl dihydrogen phosphate 52603-03-9 15816454 HMDB0062325 - Antibiotic SB 202742 83173-24-4 131753068 HMDB0041206 - Sarcoaldesterol A 180313-84-2 10790775 - C19656 5,6-Dimethoxysterigmatocystin 65176-75-2 5284386 HMDB0030592 - Megaphone 64332-37-2 442908 - - Hispaglabridin A 68978-03-0 442774 - - Spirostane-3,6-dione 3514-59-8 13889197 HMDB0036940 - 9-Fluoro-11-oxotestololactone 6875-24-7 253326 - - N-(octadecanoyl)-sphing-4-enine-1-phosphocholine 58909-84-5 6453725 HMDB0001348 - Deazaflavin 26908-38-3 5376058 - C01800 Miroestrol 2618-41-9 165001 - - Magellanine 61273-75-4 442489 - C09886 Cashmiradelphine 69787-05-9 441717 - C08668 Bisbenzimide 23491-52-3 1464 - - 5-Hydroxy saxagliptin 841302-24-7 23645678 HMDB0061099 - 5-Heptadecyl-1,3-benzenediol 41442-57-3 181700 HMDB0038530 - Crinecerfont 752253-39-7 5282340 - - Decanoylcarnitine 1492-27-9 | 25518-51-8 10245190 HMDB0000651 - 2-Methylpropyl 3-hydroxy-2-methylidenebutanoate 80758-68-5 546207 HMDB0040203 - Cyclobenzaprine 303-53-7 2895 HMDB0015060 C06931 Patellamide C 81120-74-3 9767970 - - 4-Ethylphenyl sulfate 85734-98-1 20822574 HMDB0062551 - Indolocarbazole nitrogen derivative 62996-74-1 44299148 - C02079 Artonin K 86630-40-2 15340661 HMDB0033907 - 5b-Cholestane-3a,7a,12a,25-tetrol 18866-87-0 167758 HMDB0000524 - Macrocarpal I 179388-54-6 56776316 HMDB0041587 - 5-Chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine 202409-31-2 443378 - - 13-Deoxycarminomycin 76034-18-9 443829 - C12428 4-Chlorodehydromethyltestosterone 2446-23-3 98521 HMDB0004634 - Virginiamycin m1 21411-53-0 5459319 - - Testosterone phenylpropionate 1255-49-8 14743 - - Rhodamine 6G 47724-48-1 65211 - - Calycanthoside 16845-16-2 12302276 HMDB0029549 - 8'-apo-beta-Carotenol 43126-13-2 5280991 - C06733 N-Caffeoyltryptophan 109163-69-1 10428959 HMDB0029830 - 2'-Apo-beta-carotenal 5525-46-2 131751675 HMDB0035150 - Oxyhumulinic acid 469-30-7 549669 HMDB0038989 - Colchicoside 477-29-2 92763 - C17963 Caffeoyl tyrosine 124027-56-1 14352555 HMDB0029295 - Docusate 10041-19-7 11339 HMDB0032386 C07874 1D-myo-Inositol 3,4-bisphosphate 69256-53-7 440211 HMDB0006235 C04063 N-acetyl-D-glucosaminic acid 50257-10-8 5460401 - C01133 Marinobufagenin 470-42-8 11969465 - C20036 Erythronolide B 3225-82-9 441113 - C06635 4-Hydroxystilbene 6554-98-9 | 3839-46-1 5284650 - - trans-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]-benzeneacetamide 67198-13-4 | 308240-58-6 3036289 - - [3-[1-Formyl-2-(2-furanyl)ethenyl]]-2-(2-furanyl)-5-(2-furanylmethylene)-4,5-dihydro-a-methyl-4-oxo-1H-pyrrole-1-acetic acid, 9CI 198414-08-3 59441520 HMDB0035174 - Anhydrocinnzeylanine 68799-62-2 131752069 HMDB0036864 - (12E)-16-ethyl-6,8,9-trihydroxy-12-(methoxymethyl)-25,27-dimethyl-2-propyl-1-oxa-4-azacyclooctacosa-12,14-diene-3,20,28-trione 60616-99-1 6438547 - - 2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside 68340-35-2 131752798 HMDB0040353 - Tetracenomycin F1 149791-45-7 127693 - - Ruscopine 3912-65-0 441579 - C08510 2-(Methylthio)-3H-phenoxazin-3-one 115695-20-0 14103319 HMDB0035996 - 5b-Cholestane-3a,7a,12a,24,25-pentol 58469-95-7 21252253 HMDB0000556 - Pimelea factor P2 66107-37-7 442073 - C09161 Nebivolol 99200-09-6 | 118457-14-0 71301 HMDB0015594 - Vanillic acid 121-34-6 8468 HMDB0000484 C06672 Rugosinone 73609-04-8 442350 - C09634 coproporphyrinogen III 2624-63-7 321 HMDB0001261 C03263 Alisol A 19885-10-0 15558616 - - Scilliroside 507-60-8 441871 - C08880 Thalicarpine 5373-42-2 21470 - C09655 Urobilinogen 14684-37-8 26818 HMDB0001898 C05790 Benzamide, N-(4-(1-methyl-2-(((1-methylethyl)sulfonyl)amino)ethyl)phenyl)- 211313-51-8 656707 - - 6alpha-Methyl-11beta,17alpha-dihydroxy-21-fluoropregna-1,4-diene-3,20-dione 437-99-0 227677 - - 27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol 78648-95-0 21252278 HMDB0002126 - 11,13-Dihydrotaraxinic acid glucosyl ester 75911-16-9 131751877 HMDB0035867 - (R)-2-benzylsuccinic acid 21307-97-1 444797 - C09816 L-xylo-3-hexulose 389887-81-4 18392540 - - Schradan 152-16-9 9037 - C19015 4,5-Dihydrovomifoliol 142173-08-8 23136584 HMDB0040615 - Bacteriopheophytin a 17453-58-6 5281890 - - Aspidospermine 466-49-9 227613 HMDB0030361 C09042 3-Hydroxynonyl acetate 60826-15-5 234237 HMDB0032443 - 2-[[7-Hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 87585-32-8 14521083 HMDB0038922 - Ureidopropionic acid 462-88-4 111 HMDB0000026 C02642 Prednisone acetate 125-10-0 91438 - - 2,2',3,3',4,5',6-Heptabromodiphenyl ether 446255-22-7 | 6255-22-7 46174052 - C18139 Nemonapride 75272-39-8 156333 - - Anopterine 38826-62-9 5281261 - C08658 2,4-Dihydroxy-7,8-dimethoxy-2H-1,4-benzoxazin-3(4H)-one 2-glucoside 40246-08-0 77195081 HMDB0037550 - Lunacridine 83-58-9 442920 - C10710 Absintholide 91997-90-9 101087895 HMDB0038171 - 2-(4-{3-[2-(trifluoromethyl)-4a,9a-dihydro-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol 2709-56-0 25137855 HMDB0015013 - Semilicoisoflavone B 129280-33-7 5481948 HMDB0035184 - N-{1-Benzyl-(2R,3S)-2,3-dihydroxy-4-[3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyrylamino]-5-phenyl-pentyl}-3-methyl-2-(3-methyl-3-pyridin-2-ylmethyl-ureido)-butyramide 134878-17-4 64999 - - Nummularine F 58775-98-7 5281594 HMDB0029336 C10011 Dihydrozeatin-O-glucoside 62512-96-3 23724755 HMDB0012214 - 3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole 62450-06-0 5284474 HMDB0029746 C19306 Gabunine 1357-30-8 11953929 - C09195 6-Hydroxypentadecanedioic acid 38076-52-7 131751198 HMDB0031885 - Zizyphine F 55839-64-0 11953941 - C10016 Pyronine Y 92-32-0 7085 - - Demethylsuberosin 21422-04-8 5316525 - C18083 Piceatannol 3,4'-diglucoside 282736-93-0 131752625 HMDB0039384 - Prifinium bromide 4630-95-9 20749 - - callytriol C 185548-40-7 10593857 - C17005 Dihydroxycitracridone I 161043-20-5 131751166 HMDB0031401 - 2alpha-Hydroxypyracrenic acid 182682-96-8 131750901 HMDB0029780 - (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone 442871-33-2 54750391 - - (1R,2S)-7-methyl-1,2-dihydronaphthalene-1,2-diol 127926-10-7 656877 - - N6-Methyladenosine 1867-73-8 102175 HMDB0004044 - 4-tert-Butylphenyl salicylate 87-18-3 66597 HMDB0041314 - 5-(Hydroxymethyl)-2,7-dimethyl-6-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one 54854-88-5 53462478 HMDB0036608 - Kandelin A-1 88903-77-9 442686 - - Octyl gallate 1034-01-1 61253 HMDB0033375 - Sophoramine 6882-66-2 | 52932-74-8 169014 - C10782 4-Hydroxy-3-methylbenzaldehyde 15174-69-3 139901 - C21166 (1S,4E,5'R,6R,6'R,7S,8R,10S,11R,12R,14R,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,15-trihydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione 11052-72-5 5472287 - - 4,4-Difluoropregn-5-ene-3,20-dione 1766-05-8 242128 - - Pristinamycin IB 57206-54-9 443309 - - Squamosinin A 163597-71-5 102153520 HMDB0041429 - Nudicauline 99815-83-5 441750 - C08702 Histrionicotoxin 34272-51-0 6437364 - - Chenodeoxycholate 7-monosulfate 59132-31-9 21252308 HMDB0002522 - (S)-2-((6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)acetic acid 54197-31-8 | 53108-01-3 656717 - - Elatin 26000-16-8 441730 - C08681 4-[2,2-Bis(diethoxyphosphoryl)ethenyl]-2,6-ditert-butylphenol 126411-39-0 446313 - - Dehydroepiandrosterone sulfate 651-48-9 12594 HMDB0001032 C04555 Acetoxyparthenolide 41059-80-7 54598331 - - (1S,2S,6S,7S,9R,14S,16S,17R)-14,16-dihydroxy-4,15-dimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-ene-3,11-dione 28387-43-1 185636 - - Cavipetin D 128530-04-1 14527064 HMDB0030365 - Maslinic acid 3-O-b-D-glucoside 163634-06-8 85117733 HMDB0029606 - Bilastine 202189-78-4 185460 HMDB0240232 - Phenol 108-95-2 996 HMDB0000228 C15584 Chrysoeriol 491-71-4 5280666 HMDB0030667 C04293 (+)-cis-Isopulegone 52152-10-0 443529 - - alpha-Ketoisovaleric acid 759-05-7 49 HMDB0000019 C00141 Filixic acid BBB 4482-83-1 | 11041-32-0 197044 - - Terretonin 71911-90-5 109374149 HMDB0035860 - 2-(acetylamino)-2-deoxy-6-O-phosphono-alpha-D-mannopyranose 873185-52-5 440273 HMDB0001121 C04257 (3R,4S,5S,7R,8R,9E,11S,15R,17R)-3,8-Dihydroxy-17-[(S)-hydroxy-[(3R)-2-methyl-3-[(Z,2S)-pent-3-en-2-yl]oxiran-2-yl]methyl]-4-methoxy-5,7,9,11,15-pentamethyl-1-oxacyclooctadec-9-ene-2,6,12,16-tetrone 134455-11-1 23426994 - - Desmosterol 313-04-2 439577 HMDB0002719 C01802 26-Hydroxyecdysone 52717-49-4 22295962 - - Tirofiban 144494-65-5 60947 HMDB0014913 C07965 Tricoumaroyl spermidine 131086-78-7 | 364368-18-3 14777879 - C18069 5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide 200940-22-3 443391 - - Acetylsalicylic acid 50-78-2 2244 HMDB0001879 C01405 12a-Hydroxy-3-oxocholadienic acid 13535-96-1 53477691 HMDB0000385 - Stipitatonic acid 606-39-3 98579 - C02080 Batrachotoxinin A 19457-37-5 12300007 - - 4-Methylburimamide 51264-00-7 3084972 - C11801 Viniferal 180413-42-7 57518718 HMDB0029790 - Geissospermine 427-01-0 5281401 - C09200 Sinapyl alcohol 537-33-7 5280507 HMDB0013070 C02325 Neopetasitenine 60409-51-0 6440206 HMDB0030329 - Browniine 5140-42-1 165288 - - RvD1 872993-05-0 16061135 HMDB0003733 C18178 Morzid 2168-68-5 62432 - C19347 beta-L-Arabinose 1-phosphate 50574-25-9 440160 HMDB0012195 C03906 cis-Zeatin riboside 15896-46-5 13935024 - - Cocaine 50-36-2 446220 HMDB0015043 C01416 Antibiotic T 23I 80111-47-3 | 82189-03-5 6447674 - - ()-(E)-3-Methyl-4-decen-1-yl acetate 78335-40-7 101416076 HMDB0032792 - 17,21-Epoxy-9-fluoro-11beta-hydroxypregn-4-ene-3,20-dione 336-77-6 240768 - - 3-(N-Nitrosomethylamino)propionaldehyde 85502-23-4 98533 - C19484 Epothilone D 189453-10-9 447865 - - 3-Hydroxy-16-imino-17-azaandrostan-11-one 78774-26-2 | 83220-72-8 119544 - - Patellamide D 120853-15-8 149086 - - (2S,2'R,3S,3'R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,3',5,5',7-pentahydroxyflavan 148843-32-7 131752901 HMDB0040676 - o-Cresol 95-48-7 335 HMDB0002055 C01542 Ceanothine C 18658-42-9 131750853 HMDB0029340 - 1D-myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranoside 75802-23-2 195863 - C19702 3,5-Dichloro-4-hydroxy-2-methoxy-6-methylbenzoic acid 4101-80-8 21724963 HMDB0033822 - Janthitrem G 90986-51-9 10394234 HMDB0030531 - [(1R,2R,6S,7S,8R,10S,11S,12R,14S,16S,17R,18R)-6,7-dihydroxy-8-(hydroxymethyl)-4,18-dimethyl-5-oxo-14-phenyl-16-prop-1-en-2-yl-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-en-17-yl] (2E,4E)-5-phenylpenta-2,4-dienoate 34807-41-5 24832075 - - Naproanilide 52570-16-8 40413 - - Rhodojaponin IV 30460-34-5 442083 - C09180 Glucoconvallasaponin B 16939-88-1 15560211 HMDB0034327 - Ergosta-2,4,24-trien-26-oic acid, 6,14,17,20,22-pentahydroxy-1-oxo-, delta-lactone, (6beta,17alpha,22R)- 81644-34-0 11092126 HMDB0034077 - Nedocromil 69049-73-6 50294 HMDB0014854 C07255 Dopgal 52819-70-2 90657292 - - Cafamarine 42612-19-1 131752127 HMDB0037003 - Senaetnine 64191-69-1 5281748 - C10386 Stigmatellin A 91682-96-1 5353970 - - Podecdysone B 22612-27-7 441831 - C08832 1-(2-Hydroxy-3,4,5,6-tetramethoxyphenyl)-3-(2,3,4,6-tetramethoxyphenyl)-2-propen-1-one 93827-71-5 5357331 - - Fenpyroximate 134098-61-6 | 111812-58-9 9576412 - - Colneleic acid 52761-34-9 6441681 HMDB0030995 C19827 Piritramide 302-41-0 9331 HMDB0041990 - Asparagoside B 60237-69-6 101306907 HMDB0029315 - Tymazoline 24243-97-8 34154 HMDB0015693 - 5-{9,32-Dihydroxy-6,10,13,20,32-pentamethyl-27-methylidene-33,34,35-trioxa-22-azahexacyclo[27.3.1.1^{1,4}.1^{4,7}.0^{12,17}.0^{17,23}]pentatriaconta-10,13,22-trien-14-yl}-3-methyloxolan-2-one 170713-72-1 10532690 HMDB0030492 - HMT-toxin 69935-16-6 46173827 - - Hydroxytyrosol 1-O-glucoside 76873-99-9 13845930 HMDB0041024 - Synaptolepis factor K1 66268-94-8 5281397 - C09192 Hymatoxin A 109621-33-2 442039 - C09109 Prepacifennol epoxide 55304-01-3 356215 - - Obeticholic acid 459789-99-2 447715 - - Anhydroamarouciaxanthin B 119286-10-1 23428237 HMDB0036911 - Megastachine 72049-07-1 442490 - C09888 para-Imazamethabenz 89318-82-1 3034382 HMDB0034885 - 2,3-Dihydroxycyclopentaneundecanoic acid 6938-15-4 243756 - - (2S)-4-(acetylamino)-2-aminobutanoic acid 1190-46-1 441021 HMDB0031411 C06442 alpha-Terpinyl anthranilate 14481-52-8 61746 HMDB0038051 - 6-Phosphogluconic acid 921-62-0 91493 HMDB0001316 C00345 Morphinone 467-02-7 5459823 HMDB0003563 C01735 (4-Amino-2-methylpyrimidin-5-yl)methyl trihydrogen diphosphate 841-01-0 217 - C04752 Hydroxystenozole 19120-01-5 | 5697-57-4 238684 - - Spinetoram J 187166-40-1 24795086 - - beta-Obscurine 467-79-8 5460546 - C09890 ent-17-Acetoxy-16b-kauran-19-al 41756-46-1 536366 HMDB0036722 - Mycinamicin IV 73684-71-6 6447311 - C18846 Ethylmalonic acid 601-75-2 11756 HMDB0000622 - Levocabastine 79516-68-0 54385 HMDB0015238 - N-(3-(Trifluoromethyl)phenyl)-N'-(2-hydroxy-5-chlorophenyl)urea 160383-80-2 133058 - - 2alpha-Methylprogesterone 2636-91-1 200747 - - Fluocinolone 807-38-5 91488 - C07006 L-rhamnonic acid 6422-34-0 6602429 - C01934 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate 2713-92-0 253787 - - Makisterone B 20512-31-6 441830 - C08829 beta-Selinene 17066-67-0 442393 - C09723 Phenolphthalin 81-90-3 66494 - - Z-Phenylacetaldoxime 7028-48-0 5939523 - - Pyridoxine phosphate 447-05-2 1055 HMDB0001319 C00627 Gambiriin A1 76250-49-2 16203170 HMDB0038357 C17772 lucidenic acid A 95311-94-7 14109375 HMDB0037611 - Rhodojaponin III 9,11-diacetate 26116-88-1 101306700 - - Aconitan-14-one, 7,8-dihydroxy-20-ethyl-4-(((2-(3-methyl-2,5-dioxo-1-pyrrolidinyl)benzoyl)oxy)methyl)-1,6,16-trimethoxy-, (1-alpha,4(S),6-beta,16-beta)- 123497-99-4 441711 - C08662 Lucyoside K 32448-19-4 14020482 HMDB0041353 - 1,2-Ethanediol, 1-(4-hydroxy-3-methoxyphenyl)-, (R)- 87171-18-4 688030 - - Mycinamicin III 73684-70-5 23724536 - - Ganoderic Acid C2 103773-62-2 57396771 HMDB0035304 - Bisibutiamine 3286-46-2 20055424 - - Phorbol 13-butanoate 100929-94-0 439882 - C03019 Microthecin 73033-01-9 10130020 - C19821 Lophotoxin 78697-56-0 108179 - - Dmg-mino 151922-16-6 54704423 - - Dibucaine 85-79-0 3025 HMDB0014668 C07879 3-trans-Caffeoyltormentic acid 144604-16-0 131752884 HMDB0040650 - Picras-2-ene-1,16-dione, 11-(acetyloxy)-13-hydroxy-2,12-dimethoxy-, (11alpha,12beta)- 28360-79-4 185634 - - Nerolidyl diphosphate 40716-67-4 5280900 - C06111 D-Urobilin 3947-38-4 5280820 HMDB0004161 C05795 4-Hydroxy-3-methoxytamoxifen 158816-80-9 112500493 HMDB0142532 - L-DOPA 3'-glucoside 2275-95-8 72983473 HMDB0029452 - Labriformin 66419-07-6 372740 - - p-(1-Methyl-2,2-diphenylvinyl)anisole 13560-37-7 254886 - - Thioguanine 154-42-7 2723601 HMDB0014496 C07648 Makisterone A 20137-14-8 12312690 - C16874 Rhamnose 3615-41-6 25310 HMDB0000849 C00507 (ent-2b,4S,9a)-2,4,9-Trihydroxy-10(14)-oplopen-3-one 2-(2-methylbutanoate) 9-(3-methyl-2E-pentenoate) 80489-86-7 131753006 HMDB0040993 - Hexamethylene bisacetamide 3073-59-4 3616 HMDB0041901 - 2,2-Dibutyl-3-(4-methoxyphenyl)-4-methyl-2H-1-benzopyran-7-ol acetate 5188-50-1 255271 - - (1R,14R)-14-(ethylsulfanyl)-1-fluoro-17-hydroxy-2,15-dimethyl-14-(methylsulfanyl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one 85197-77-9 55320 HMDB0042040 - (6R)-5,10-Methylenetetrahydrofolate 31690-11-6 | 3432-99-3 135398645 - - Nigakilactone C 24148-78-5 185556 - C17029 Farnesiferol A 511-33-1 7067262 - - 3-Mercaptolactic acid 2614-83-7 160645 HMDB0002127 C05823 3-Hydroxydecanedioic acid 73141-46-5 | 68812-93-1 3017884 HMDB0000350 - beta-Sitosteryl ferulate 286011-30-1 9938436 HMDB0041146 - Inumakilactone A glycoside 37850-48-9 442044 - C09114 N-hydroxy-L-tryptophan 87843-31-0 23657839 - C19716 Tomatidine galactoside 99304-79-7 57341160 - - Diguanosine-5'-triphosphate 6674-45-9 | 102783-44-8 135450902 HMDB0001379 - Terpendole I 167612-17-1 10026941 - C20543 3-Hexadecanoyloleanolic acid 19833-14-8 14138830 HMDB0036967 - Tolytoxin 127999-44-4 6440827 - - Fusicoccin H 50906-51-9 5281364 - C09093 5-Hydroxyisourate 6960-30-1 250388 HMDB0030097 - (S)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine 558447-26-0 11256587 - C20266 Neryl rhamnosyl-glucoside 84534-31-6 131750856 HMDB0029349 - Aquayamycin 26055-63-0 73441 - - 5-Hydroxytryptophol 154-02-9 9061 HMDB0001855 - Camelledionol 81426-90-6 131751856 HMDB0035730 - 3-Methyl-l-tyrosine 17028-03-4 | 2370-57-2 159657 - C20800 N-(indole-3-acetyl)-L-leucine 36838-63-8 688142 - - Mevinphos 7786-34-7 | 298-01-1 | 26718-65-0 5355863 - C18688 N-succinyl-LL-2,6-diaminopimelic acid 26605-36-7 440333 HMDB0012267 C04421 Nocloprost 79360-43-3 6917718 - - Rhodomollein XIV 798558-84-6 21593933 - - {4-[(Difluoromethyl)sulfonyl]phenyl}hydrazine 4837-28-9 271371 - - Dolastatin 10 110417-88-4 9810929 - - 2,4-Dichlorobenzyl carbamimidothioate 131916-62-6 234811 - - 5-(9-anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione 66108-42-7 360573 - - Silenoside A 81655-86-9 196202 HMDB0034379 - P-Hydroxyatorvastatin lactone 163217-70-7 | 265989-49-9 9937602 - - Scropolioside B 116084-90-3 45360375 - - Aldosecologanin 471271-55-3 10908841 - - Flavidulol C 117568-34-0 131752564 HMDB0039150 - 6-Aminopyridine-3-carbothioamide 53268-33-0 3931107 - - Phytolaccagenic acid 54928-05-1 13878342 HMDB0034640 - Pectenotoxin 2 97564-91-5 6437385 HMDB0033491 C20012 Nandrolone phenpropionate 62-90-8 229455 HMDB0015119 C08155 Coroxon 321-54-0 9453 - - Chlorthiophos 60238-56-4 | 21923-23-9 30859 - C18970 Bixafen 581809-46-3 11434448 - - 25-Cinnamoyl-vulgaroside 172616-90-9 131753123 HMDB0041367 - ganoderol A 104700-97-2 13934284 HMDB0035728 - (2Z)-2-[4-[8-[(5E)-5-[carboxy-(4-hydroxyphenyl)methylidene]-4-hydroxy-2-oxofuran-3-yl]-5,6-dioxonaphthalen-2-yl]-3-hydroxy-5-oxofuran-2-ylidene]-2-(4-hydroxyphenyl)acetic acid 90295-70-8 131751403 HMDB0033267 - Spenolimycin 95041-97-7 125257 - C17970 4-Chloro-2-(4-fluorophenyl)quinazoline 113242-33-4 4736855 - - 5-(2-Fluorophenyl)furan-2-carbaldehyde 380566-25-6 960559 - - (4-Fluorophenyl)(pyridin-4-yl)methanone 41538-36-7 7023019 - - 2-chloro-N-(1-cyanocyclopentyl)acetamide 78734-65-3 2512520 - - Stauprimide 154589-96-5 46245328 - - 4-(piperazin-1-yl)-1H-indole dihydrochloride 255714-24-0 42614438 - - Phantomolin 55306-08-6 5281493 - C09527 (3R)-3,4-Dihydroxy-3-(hydroxymethyl)butanenitrile 4-glucoside 148965-97-3 131751525 HMDB0034085 - 5-(2-Propoxy-ethyl)-[1,3,4]thiadiazol-2-ylamine 299937-61-4 3135539 - - 4-Methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine 693228-63-6 6420138 - - (2R)-2-[4-[(6-chloro-1,3-benzoxazol-2-yl)oxy]phenoxy]-N-(2-fluorophenyl)-N-methylpropanamide 256412-89-2 59558935 - - TAXININE M 135730-55-1 10054413 - - Flumequine 42835-25-6 3374 HMDB0041895 - 6-Amino-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione 14642-72-9 236871 - - Pefloxacin 70458-92-3 51081 HMDB0014630 - N-(2,4-difluorophenyl)-3-oxobutanamide 218930-20-2 737293 - - 5-Bromo-4-hexylpyrimidine 951884-38-1 26370001 - - N-(2-fluorophenyl)-2-phenoxypropanamide 6187-06-0 2889924 - - 3-Fluoro-2-nitropyridine 54231-35-5 2762802 - - D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose 10003-63-1 131752417 HMDB0038663 - 1-Boc-2-(4-nitrobenzenesulfonyl)hydrazine 333440-71-4 3136192 - - Trilithium citrate tetrahydrate 6080-58-6 2724118 - - Flecainide 54143-55-4 3356 HMDB0015326 C07001 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile 242812-09-5 2737604 - - Antrodin A 656830-24-9 10470895 - - 1-(4-Fluorophenyl)-3-(1,3-thiazol-2-yl)urea 69123-56-4 310682 - - Nuarimol 63284-71-9 91683 - - N-(4-methylphenyl)sulfonylbenzenecarbothioamide 10520-99-7 677607 - - 1-[(4-Fluorophenyl)sulfonyl]-4-piperidinecarboxylic acid 326907-70-4 737844 - - O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose 95632-88-5 22833580 HMDB0002060 - Kansuinine B 57685-46-8 442050 - C09122 2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid 52535-73-6 699462 - - 3-Iodo-4-methoxybenzyl alcohol 53279-82-6 893543 - - 3-Butynyl p-toluenesulfonate 23418-85-1 272020 - - 5-Benzylpyrrolidin-2-one 14293-06-2 | 226991-18-0 99881 - - Cinflumide 64379-93-7 6434871 - - 3-Hydroxy-3'-nitro-2-naphthanilide 135-65-9 67277 - - 2-(1H-benzimidazol-2-yl)quinoline 14044-48-5 646533 - - Olsalazine-O-sulfate 116430-58-1 195182 HMDB0060600 - n-(1-Naphthyl)benzenesulfonamide 15309-82-7 253799 - - Elagolix sodium 832720-36-2 24785956 - - 11beta-Chloromethylestradiol 71794-60-0 67088 - - Sultopride 53583-79-2 5357 - - LS-Tetrasaccharide b 64003-54-9 4287570 HMDB0006600 - N-propan-2-ylphenothiazine-10-carboxamide 81225-58-3 704259 - - 4-Nitronaphthalene-1,8-dicarboxylic acid 5425-83-2 224973 - - 4-Fluoro-3-phenoxybenzaldehyde 68359-57-9 110068 - - (1E)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one 300801-52-9 | 719277-26-6 1893667 - - 4-(4-Fluorophenoxy)aniline 36160-82-4 147633 - - 4-Fluorobenzanilide 366-63-2 96095 - - Mactraxanthin 86105-69-3 102158275 HMDB0036928 - N-(2-Amino-benzothiazol-6-yl)-acetamide 22307-44-4 231904 - - 2-Naphthalenol 2-aminobenzoate 63449-68-3 62217 HMDB0039873 - 8-Aniline-1-naphthalenesulfonic acid 82-76-8 1369 HMDB0061854 C11326 Pseudolaric acid B 82508-31-4 71307573 - - 3-[(E)-Phenyldiazenyl]biphenyl-4-ol 63467-44-7 88934 - - 2-Hydroxy-3-methoxystrychnine 1103-85-1 21680050 - - 3-(3,4,5-Trimethoxyphenyl)propane-1,2-diol 123199-96-2 | 54306-10-4 129913 - - 4-Ethoxy-6-fluorocoumarin 527751-30-0 688959 - - 4-(Difluoromethoxy)aniline 22236-10-8 737363 - - Propan-2-yl 2-acetamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate 5702-61-4 868935 - - Etocarlide 1234-30-6 667483 - - Disperse Red 17 3179-89-3 4585870 - - Neomycin 1404-04-2 8378 HMDB0015129 C01737 3-(3,3,3-Trifluoropropylsulfanyl)propanoic acid 958814-81-8 | 65530-69-0 171658 - - 2(1H)-Pyrimidinethione, tetrahydro-1-methyl- 24421-05-4 3034347 - - Abacavir carboxylate 384380-52-3 56927907 - - Nopalinic acid 63409-16-5 4474580 HMDB0029437 C01683 Lys-Arg-Thr-Leu-Arg-Arg 121284-21-7 4177958 - - 4-(Methylsulfinyl)phenol 14763-64-5 151936 - - 1H-Indole-3-carboxylic acid,1-(5-fluoropentyl)- 1432794-98-3 86346291 - - 5-Bromo-4-heptylpyrimidine 951884-44-9 44118595 - - 9-Chloro-11beta-hydroxy-17-methyltestosterone 7100-40-5 235091 - - 3-Mercapto-1-hexanol 51755-83-0 521348 HMDB0040152 - 2-(4,4-Difluorocyclohexyl)acetic acid 915030-40-9 53420743 - - 2-(4-Carboxyphenyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide potassium salt 148819-94-7 102601671 - - Disperse Red 60 17418-58-5 | 12223-37-9 | 70956-30-8 28531 - - Ethyl 2,4-dihydroxy-6-(trifluoromethyl)nicotinate 947144-28-7 54753472 - - 4,4''-bis(N-feruloyl)serotonin 175702-03-1 10484893 HMDB0041433 - 3-Benzoyl-6-phenyl-pyran-2,4-dione 602-98-2 221786 - - Hydroxymethylbilane 71861-60-4 788 HMDB0001137 C01024 Progabide 62666-20-0 | 90656-51-2 | 104880-78-6 44115 HMDB0014975 - tert-Butyl 3-((3S,6S,12aS)-6-isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,6,7,12,12a-octahydropyrazino[1',2':1,6]pyrido[3,4-b]indol-3-yl)propanoate 461054-93-3 | 874946-83-5 10322450 - - Olmesartan 144689-63-4 158781 HMDB0014420 - 2-(2,5-Dioxo-hexahydro-imidazo[4,5-d]imidazol-1-yl)-4-methylsulfanyl-butyric acid 436811-14-2 2893841 - - 4-phenyl-3,4,5,6,7,8-hexahydroquinazoline-2(1H)-thione 65331-17-1 5001598 - - N-(6-methoxy-1,3-benzothiazol-2-yl)cyclobutanecarboxamide 620103-17-5 891550 - - N-[(4-methoxyphenyl)carbamothioyl]benzamide 21258-08-2 692096 - - 2-[(3,4-Difluorophenyl)formamido]acetic acid 315707-69-8 705141 - - 1-(4-Fluorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea 116221-82-0 2127581 - - Methylmethionine sulfonium chloride 1115-84-0 16217806 - C04078 Hydralazine pyruvic acid hydrazone 67536-13-4 9576792 HMDB0061143 - Alkannin beta,beta-dimethylacrylate 24502-79-2 | 5162-01-6 442720 - - Didemethylasterriquinone D 78860-40-9 452720 - - Ancistrocladine 32221-59-3 | 56688-90-5 | 1395-04-6 161741 - C09335 2,4-Difluorobenzylamine 72235-52-0 2733244 - - 4,6-Difluoroindoline 199526-98-2 16244449 - - 6-(Chloromethyl)-2-methylpyrimidin-4-ol 35252-96-1 135464838 - - 5-(4-Fluorophenyl)cyclohexane-1,3-dione 55579-72-1 730136 - - Guaiacyl phenylacetate 4112-89-4 61331 HMDB0037679 - Buclizine 82-95-1 | 163837-51-2 | 163837-52-3 6729 HMDB0014498 C07777 Tocopheronic acid 1948-76-1 67764516 HMDB0030555 - Chebulinic acid 18942-26-2 72284 - - Pancratistatin 96203-70-2 441597 - C08535 5-(3,5-Dinitrophenyl)-1,3,4-thiadiazol-2-amine 109193-50-2 3385419 - - 2',2'-Difluorodeoxyuridine 114248-23-6 9871558 HMDB0060727 - Thymopoietin II (32-35) 85466-18-8 3033954 - - Dehydrodiisoeugenol 2680-81-1 | 83377-50-8 5379033 - - Reserpic acid 83-60-3 65747 - - 2-Chloropropyldimethylamine 108-14-5 92738 - - Rilmenidine phosphate 85409-38-7 198614 - - fluorobenzoylpropionic acid 84313-94-0 2758337 HMDB0060951 - 4-[(2-Furylmethyl)thio]aniline 869943-49-7 16765173 - - 2-(Phenoxymethyl)-1,3-benzothiazole 37859-39-5 700590 - - Diellagilactone 153816-55-8 131752354 HMDB0038386 - 1,3,6-Trihydroxy-8-n-propylanthraquinone 135161-96-5 195786 - C18840 8-bromo-cGMP 31356-94-2 135419186 - - Hericenone G 141973-36-6 10348545 HMDB0039594 - 3-Benzoyloxy-6-oxo-12-ursen-28-oic acid 205699-24-7 131751331 HMDB0032840 - Tetrazepam 10379-14-3 25215 HMDB0042029 - Methyl-2-alpha-L-fucopyranosyl-beta-D-galactoside 37288-45-2 440446 - C04698 N-cyclooctyl-4-methylbenzenesulfonamide 16801-74-4 | 6104-68-3 260972 - - 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid 70032-25-6 | 294644-88-5 800521 - - Piceatannol 4'-galloylglucoside 116107-19-8 131752958 HMDB0040862 - 2-Naphthalen-2-yl-benzooxazol-5-yl-amine 95888-12-3 736012 - - N-(9-Fluorenylmethoxycarbonyloxy)succinimide 82911-69-1 134122 - - 4-(2-ethyl-2-methyltetrahydro-2H-pyran-4-yl)-1,3-thiazol-2-amine 88572-17-2 2833394 - - n-(2,4-Dimethylphenyl)-4-methylbenzenesulfonamide 7230-44-6 221018 - - 1-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazine 562858-09-7 2146069 - - Loteprednol etabonate 82034-46-6 444025 - - Centaurepensin 37006-36-3 14021487 - - osmanthuside B 94492-23-6 10438425 HMDB0038749 - 1-[(4-chlorophenyl)methyl]-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylic acid 571150-67-9 4985598 - - 3-(2-Benzothiazolyl)-6-methoxycoumarin 245072-50-8 395990 - - 1-Tridecene-3,5,7,9,11-pentayne 81900-91-6 441552 HMDB0035400 C08464 2'-Deoxymugineic acid 74235-24-8 189811 HMDB0033909 - 1-(2-(4-Fluorophenoxy)phenyl)-N-methylmethanamine 833482-53-4 10421413 - - Hydroxystreptomycin 6835-00-3 23267 - C17571 2-phenyl-N-(propan-2-yl)quinoline-4-carboxamide 349400-31-3 718038 - - 4-propyl-N-(pyridin-2-ylmethyl)benzenesulfonamide 851774-65-7 6464951 - - Fenofibrate 49562-28-9 3339 HMDB0015173 C07586 5,6,7-Trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)chromen-4-one 89029-10-7 184922 - - s-Ethylisothiourea 2986-20-1 5139 - - [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 94079-81-9 6442411 - - 4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone 22043-39-6 6862754 - - Farrerol 24211-30-1 91144 HMDB0130571 - 1,2,4,5-Tetrahydro-3-benzothiepin-1-one 51659-38-2 260145 - - 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide 438488-70-1 1534872 - - 3,4-Dihydroxybenzeneacetic acid 102-32-9 547 HMDB0001336 C01161 Clorprenaline hydrochloride 6933-90-0 23360 - - Streptobiosamine 126-05-6 20056682 - C07655 2-(4-Aminophenoxy)naphthalene 71311-83-6 3580829 - - 4,6-Bis(4-fluorophenyl)-2-methyl-5-(4-pyridinyl)-2H-pyrazolo[3,4-b]pyridine 755753-89-0 24822135 - - 2-chloro-N-(cyclohexylmethyl)propanamide 596807-98-6 3830970 - - 2-(Methanesulfonylamino)benzonitrile 50790-29-9 251994 - - 2-(2,4-Difluorophenoxy)acetohydrazide 588676-13-5 5005918 - - (Z)-N-[(4-hydroxyphenyl)methyl]ethoxycarbothioamide 4'-(tri-acetylrhamnoside) 147821-50-9 10323025 HMDB0031946 - 1-(Methylsulfonyl)piperidine-3-carbohydrazide 832741-28-3 4045908 - - N-(2-methoxybenzyl)-N-(thien-2-ylmethyl)amine 869947-86-4 2115238 - - Sulfinpyrazone 57-96-5 5342 HMDB0015269 C07317 N-(p-Tolyl)-2-naphthylamine 644-16-6 229322 - - Bianfugecine 96681-50-4 126021 - - Pyridyl-2-thioacetamide monohydrochloride 26414-87-9 3035162 - - Morpholine, 4-(3,4,5-trimethoxybenzoyl)-thio- 64038-98-8 116301 - - RNA Polymerase III Inhibitor 577784-91-9 2824289 - - Acetylcholine iodide 2260-50-6 75271 - C74167 2,5-Diaminobenzene-1,4-diol 10325-89-0 736297 - - Benzeneacetic acid, 2-methoxy-4-(1-propenyl)phenyl ester 120-24-1 20835508 HMDB0037278 - 1,4-Naphthalenediamine 2243-61-0 16719 - - 4-Hydroxyphenylglyoxylic acid 15573-67-8 355 - C03590 Methyltriphenylphosphonium 15912-74-0 74506 - - N-(4-acetylphenyl)benzenesulfonamide 76883-69-7 682447 - - 5-Ethenyl-1-methylphenanthrene-2,7-diol 137319-34-7 5316810 - - 4-(4-Phenylphenoxy)aniline 6628-69-9 247124 - - 2-Naphthalenethiol 91-60-1 7058 HMDB0029689 - Benzothiazol-2-yl-(4-ethoxy-phenyl)-amine 6634-87-3 234497 - - Phylloporphyrin 13939-70-3 85660 - - 5-(2-Ethoxyethyl)-1,3,4-thiadiazol-2-amine 299936-83-7 1990794 - - 2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxy-3-[(E)-2-phenylethenyl]phenol 152383-83-0 5319481 - - Lacto-N-fucopentaose-2 21973-23-9 168012 HMDB0006577 - 2-Methoxy-5-(trifluoromethoxy)phenol 895572-36-8 18435772 - - Isorengyoside 101489-32-1 10958239 - - 1-(Butylamino)-3-phenoxypropan-2-ol 3246-04-6 | 29638-63-9 137867 - - Chrycorin 91362-90-2 11435957 HMDB0035149 - Pyributicarb 88678-67-5 93486 - C18422 O-Formylcefamandole 57268-80-1 5284527 - - 2-(N-Methylperfluorooctanesulfonamido)acetic acid 2355-31-9 22286931 HMDB0061742 - Ethylene thiourea 96-45-7 | 12261-94-8 2723650 - - 1-(Chloromethyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane 42003-39-4 362521 - - 2-Butanone, (2,4-dinitrophenyl)hydrazone 958-60-1 9562263 - - Anthrakunthone 475673-79-1 5319342 - - Octanoylglucuronide 99910-55-1 127448 HMDB0010347 - N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6-Yl)-1-Phenylmethanesulfonamide 941992-05-8 16927347 - - Sulfazecin 77912-79-9 9908721 - C20927 Cysteinyldopa 19641-92-0 14178745 - C17935 Chlorotrianisene 569-57-3 11289 HMDB0014414 - 4-(3,4-Dichlorophenyl)-2-hydrazino-6-(trifluoromethyl)pyrimidine 862658-93-3 7018677 - - Phellamuretin 523-60-4 7092536 - - Flavylium 11029-12-2 | 14051-53-7 145858 HMDB0031460 - Metipranolol 22664-55-7 31477 HMDB0015345 C07915 spirolide C 318996-49-5 21590536 HMDB0038344 - 4-(chloromethyl)-7-hydroxy-8-methyl-2H-chromen-2-one 163684-50-2 5423877 - - Kinetin riboside 4338-47-0 20345 - - Val-Ala 27493-61-4 6992638 HMDB0029120 - 2-Amino-N-cyclopentyl-6-tert-pentyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide 590360-07-9 4469613 - - Asterina 330 84563-31-5 13194807 - - 4-Hydroxyretinoic Acid 66592-72-1 6438629 HMDB0006254 C16677 Tetramethylammonium chloride 75-57-0 | 9050-97-9 6379 - - 3-Hydroxy-4,5-bis(hydroxymethyl)-2-(3-methylbut-2-en-1-yl)phenyl 2,4-dihydroxy-6-methylbenzoate 58265-74-0 100450 HMDB0036557 C01553 N,N-Dimethyl-alpha-methylcarbamoyloxyimino-alpha-(methylthio)acetamide 23135-22-0 | 32817-80-4 9595287 - C18419 Aspirin softam 53664-49-6 162733 - - Milneb 3773-49-7 92200 - C18628 Unii-8wxu5yre25 501926-82-5 71308243 - - Tetrahydrocurcumin 36062-04-1 124072 HMDB0005789 - N,N,N',N'-Tetramethyl-p-phenylenediamine dihydrochloride 637-01-4 71561 - C93498 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranose 26184-96-3 441429 - C08247 N-Demethyldiltiazem 85100-17-0 | 86408-45-9 107891 HMDB0061023 - 7-nitro-10-octyl-3-phenyl-pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione 137346-42-0 44306972 - - 1,2,5-Oxadiazole-3,4-dicarboxylic acid 48113-77-5 1419097 - - Bis(4-fluoro-3-nitrophenyl) sulfone 312-30-1 9398 - - Sialyl Lewis X 98603-84-0 643990 HMDB0006565 - Dinitrosopentamethylenetetramine 101-25-7 7549 HMDB0036855 C19409 1,3,6-Trihydroxy-8-(3-methylbutyl)anthraquinone 135161-98-7 195787 - C18842 Melilotoside B 170663-68-0 73834062 HMDB0041465 - Eleutheroside C 15486-24-5 9859136 - - Coralyne chloride 6872-73-7 | 38989-38-7 23306 - - Aklavin 60504-57-6 | 66676-88-8 149755 - C18634 N-(4-oxo-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide 293763-26-5 739358 - - N-Acetyldehydroanonaine 132646-11-8 5315739 HMDB0041537 - 12,13-DiHOME 263399-35-5 10236635 HMDB0004705 - 19(S)-HETE 79551-85-2 9548883 HMDB0011136 C14749 Sodium pantothenate 867-81-2 23679004 - - Avanafil 330784-47-9 9869929 - - Olaparib 763113-22-0 | 937799-91-2 23725625 - - Olopatadine hydrochloride 140462-76-6 5282402 - C72607 Ibrutinib 936563-96-1 24821094 - - Valnemulin hydrochloride 133868-46-9 60195218 - C72350 Pirenzepine hydrochloride 29868-97-1 71405 - - (8R,9R,10R,13S,14R,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one 6533-00-2 12598310 HMDB0014511 - Indoximod 110117-83-4 405012 - - Panobinostat 404950-80-7 6918837 - - 3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid 547-98-8 122312 HMDB0000601 - 5-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-YL)-2-methyl-pentanoic acid 1893298 45356845 - - (1aR,7aS,10aS,10bS)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one 20554-84-1 6473881 - C07609 (R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan 57128-11-7 4484949 HMDB0030717 - Tyrphostin AG 879 148741-30-4 135419190 - - AFP-07 free acid 788799-13-3 9889183 - - Chaps 75621-03-3 107670 - - Arginyl-glycyl-aspartic acid 99896-85-2 | 119865-10-0 | 124123-27-9 104802 - - nutlin-3A 675576-98-4 11433190 - - 4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline 396129-53-6 447966 - - Cytochalasin H 53760-19-3 13892272 - - Vandetanib 443913-73-3 | 338992-00-0 3081361 - - (1R,6S,7S)-9-[(Z)-2-Methoxycarbonyl-3-methylbut-1-enyl]-5,5-dimethyl-8,11-dioxo-12-oxatricyclo[5.3.2.01,6]dodec-9-ene-10-carboxylic acid 197799-63-6 102586055 HMDB0032082 - 4-{[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanyl}benzoic acid 154978-38-8 5311015 - - Trp-val 24613-12-5 7009658 - - Photrexa 6184-17-4 23687712 - - 17-keto-4(Z),7(Z),10(Z),13(Z),15(E),19(Z)-Docosahexaenoic Acid 1233715-28-0 52195784 - - (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]hept-5-enoic acid 246246-19-5 5311238 - - Osajin 482-53-1 95168 - - (+)-Zeylenol 113532-12-0 14283260 HMDB0029541 - biochanin A 7-O-beta-D-glucoside 5928-26-7 5280781 HMDB0033990 C05376 (+)-3,4-Dihydro-3,8-dihydroxy-3-methylbenz(a)anthracene-1,7,12(2H)-trione 1991158 160887 - - (-)-Bilobalide from ginkgo leaves 33570-04-6 12308750 HMDB0036735 - Vomifoliol 9-[xylosyl-(1->6)-glucoside] 126221-59-8 14466051 HMDB0035520 - (1-hexyl-5-phenyl-1H-pyrrol-3-yl)(naphthalen-1-yl)methanone 914458-20-1 44418307 - - 10S,17S-dihydroxy-4Z,7Z,11E,13Z,15E,19Z-docosahexaenoic acid 871826-47-0 11667655 - - Debromohymenialdisine 75593-17-8 | 125118-55-0 135451156 - C19897 Cycluron 2163-69-1 16554 - C19109 Clasto-lactacystin beta-lactone 154226-60-5 9794358 - - 13-Hydroxy-6,9,11-octadecatrienoic acid 74784-20-6 5282971 - - (5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trien-14-ynoic acid 114616-11-4 5283132 - - [(2S,3R,4R,5S,6R)-2-{[(2R,3S,4R,5R,6R)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamic acid 577-76-4 22833609 HMDB0003556 C01674 1,1'-(Tetrahydro-6a-hydroxy-2,3a,5-trimethylfuro[2,3-d]-1,3-dioxole-2,5-diyl)bis-ethanone 18114-49-3 193527 HMDB0032527 - Inundatine 34415-56-0 442477 - C09867 7alpha-Hydroxy-3-oxochol-4-en-24-oic acid 14772-95-3 193493 HMDB0062744 - (-)-11-Hydroxy-9,15,16-trioxooctadecanoic acid 38076-39-0 131752496 HMDB0038940 - 3beta,7alpha-Dihydroxy-5-cholestenoate 115538-84-6 3081084 HMDB0012454 C17335 (3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol 243449-55-0 131751468 HMDB0033634 - (1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol 402593-46-8 110677 HMDB0039974 - (9-cis,9'-cis)-7,7',8,8'-Tetrahydro-psi,psi-carotene 72746-33-9 6440490 HMDB0003063 C15857 (3R, 6'Z)-3,4-Dihydro-8-hydroxy-3-(6-pentadecenyl)-1H-2-benzopyran-1-one 158627-94-2 131753099 HMDB0041301 - 1,5-Dioxaspiro[5.5]undecan-3-ol, 10-methyl-7-(1-methylethyl)- 63187-41-7 106791 HMDB0040004 - Yangambin 13060-14-5 443028 - - Cyclo(L-Phe-L-Pro) 3705-26-8 443440 - - 16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one 4565-45-1 246204 - - 2-(2-Thienylmethylene)-1,6-dioxaspiro[4.4]non-3-ene 124442-15-5 12045806 HMDB0034857 - (4R)-4-[(1Z,5E,7E,11R)-11-methoxy-8-methyltetradeca-1,5,7,13-tetraenyl]-2-[(2S)-2-methylcyclopropyl]-4,5-dihydro-1,3-thiazole 155233-30-0 6438908 - - Withanolide B 56973-41-2 14236711 - C00157 [(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 3-chloro-6-hydroxy-4-methoxy-2-methylbenzoate 102092-23-9 188661 HMDB0035062 - (7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20E)-2,10,12,14,16,26,28-heptahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(28),5(27),7,18,20,23,25-heptaene-4,6,22-trione 246255-43-6 137092551 - - Vanillin 3-(L-menthoxy)propane-1,2-diol acetal 207844-03-9 9969062 HMDB0032553 - Botrydial 54986-75-3 185781 - C09622 Pubescenol 90685-93-1 131750955 HMDB0030085 - 22-Angeloylbarringtogenol C 200492-43-9 131751328 HMDB0032835 - 6-(3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-methyl-4-oxoheptanoic acid 81907-61-1 14109389 HMDB0035719 - (1S,3S,4S,6S,7S,8R,11S,12S,15R,16R)-15-[(2S,3R,5S)-3,5-dihydroxy-5-(hydroxymethyl)-6-methylheptan-2-yl]-4,6-dihydroxy-7,12,16-trimethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-7-carboxylic acid 292167-34-1 21606648 HMDB0035943 - (3b,16a,20R)-25-Acetoxy-3,16,20,22-tetrahydroxy-5-cucurbiten-11-one 3-glucoside 178062-95-8 131751717 HMDB0035346 - 5-Hydroxy-6-methoxycoumarin 7-glucoside 141238-32-6 131752724 HMDB0039774 - 16alpha,17-Dihydroxypregn-4-ene-3,20-dione cyclic acetal with 2-furyl methyl ketone 7148-96-1 11954076 - - Unii-0421aqv5W3 3512-87-6 13491909 - - 12alpha-Fluoro-11beta,17beta-dihydroxyandrosta-1,4-dien-3-one 1649-21-4 247876 - - Triton X-100 9002-93-1 5590 HMDB38380 C11623 NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid 21302-79-4 10096940 - - 6'-Apiosyllotaustralin 170033-25-7 131751537 HMDB0034207 - 3beta,21-Dihydroxy-pregna-5,7,9(11)-trien-20-one diacetate 7252-92-8 243749 - - JKC-302 153982-38-8 21983468 - - Methyl(7Z,9Z,9'Z)-6'-apo-y-caroten-6'-oate 174206-07-6 15285539 HMDB0031381 - [5,6,14-Trihydroxy-10,13-dimethyl-17-[1-[5-methyl-6-oxo-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-2-yl]ethyl]-1-oxo-4,6,7,8,9,11,12,15-octahydrocyclopenta[a]phenanthren-15-yl] acetate 148054-13-1 85091430 HMDB0039693 - Bradykinin (1-7) 23815-87-4 168145 - - (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein 24948-23-0 131751128 HMDB0031070 - Meclozine dihydrochloride 1104-22-9 64713 - - 3-Hydroxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one 173866-78-9 137185905 HMDB0031969 - H-beta-Ala-DL-leu-OH 102029-56-1 2079 - - 23-O-Acetylshengmanol-3-o-alpha-L-arabinoside 402513-88-6 10865257 - - Methyl(9Z)-6'-oxo-6,5'-diapo-6-carotenoate 201996-49-8 131751235 HMDB0031977 - Z-Cys(Bzl)-OH 3257-18-9 98775 - - Zapa 92138-10-8 6604703 - - [(1S,2S,3S,4S,5R,6S,8S,9S,10R,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate 11033-64-0 93913788 - - 3-Hydroxybenzoic acid - 7420 HMDB0002466 C00587 2-Naphthalenesulfonic acid - 8420 HMDB0255446 C16202 3-(4-Hydroxyphenyl)chroman-7-ol - 382975 HMDB0243678 - (8)-Shogaol - 6442560 HMDB0031464 - Stearic acid - 5281 HMDB0000827 C01530 Cariprazine hydrochloride - 25096873 - - Tropine - 8424 HMDB0259297 C02066 2,2-Dimethylglutaric acid - 12681 HMDB0061676 - Marbofloxacin - 60651 HMDB0254332 - (Z)-7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-[[(1R)-2,2-dimethylcyclopropanecarbonyl]amino]hept-2-enoic acid - 13608293 HMDB0015535 - 13-HOTE - 10469728 HMDB0010203 - Flibanserin - 6918248 HMDB0252304 - 9-Oxo-nonanoic acid - 75704 HMDB0094711 C16322 3-Hydroxy-alpha-methyl-DL-tyrosine - 4138 HMDB0251525 - (S)-2,3-Dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone - 442396 HMDB0130571 C09734 2-[(2-Amino-3-phenylpropanoyl)amino]-3-methylbutanoic acid - 4096934 HMDB0029134 - 2-Dodecylbenzenesulfonic acid - 25457 HMDB0031031 - 2-Propylglutaric acid - 134970 HMDB0060684 C16658 (±)7(8)-DiHDPE(A) - 16061144 - - Ureidosuccinic acid - 93072 HMDB0000828 C00438 LPI(16:0) - 42607493 - C03819 Nimesulide - 4495 HMDB0255611 - (3R)-3-acetyloxy-3-[(1R,2R,5R,6R,7R,10S,11R,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid - 76315917 HMDB0035771 - 15-Hydroxy-5,8,11,13-eicosatetraenoic acid - 1436 HMDB0244669 - Uridine-diphosphate-n-acetylgalactosamine - 23700 HMDB0060522 - Febuxostat - 134018 HMDB0252185 - 3-Methyl-2-oxovalerate - 4298878 HMDB0000491 - Cortisone acetate - 5745 HMDB0015459 C08173 bicyclo-PGE2 - 5283043 HMDB0060054 - N-[3-[(2-oxo-1-naphthalenylidene)methylamino]phenyl]-2-phenylpropanamide - 135659046 - C71361 Ixazomib - 25183872 - - L-Tyrosyl-L-Asparagine - 44230566 HMDB0029100 - 3-p-Coumaroylquinic acid - 9945785 HMDB0029681 - Bisphenol A - 6623 HMDB0032133 C13624 Epipodophyllotoxin, 4'-demethyl-, 9-(4,6-O-2-thenylidene-beta-D-glucopyranoside) - 5396 HMDB0014587 - Asn-Phe - 18218184 HMDB0028738 - 1-Palmitoylglycerol 3-phosphate - 89566 HMDB0007853 C04036 Guanosine 3',5'-Cyclic Monophosphate - 135398570 HMDB0001314 - 3,4,6-trihydroxy-5-oxo-1-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)benzo[7]annulene-8-carboxylic acid - 135452274 HMDB0040609 - Pemigatinib - 86705695 HMDB0304863 - 16-HDoHE - 11595378 - - L-tyrosine methyl ester 4-sulfate - 440256 - C04201 3-Deoxy-D-Lyxo-Heptopyran-2-ularic Acid - 15608515 HMDB0002183 C21044 Dihydroartemisinin(DHA) - 131770024 - - 2-Benzyl-4-chlorophenol - 8425 HMDB0245035 - (2E,6E)-2,6-bis(2-phenylhydrazono)cyclohex-4-ene-1,3-dione - 5463174 - - His-Ala-Phe-Lys - - - - 13,14-Dihydro-16,16-difluoroprostaglandin D2 - 52224395 - - 4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One - 11652621 - - His-Glu-Phe-Glu - - - - 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine - 5283499 HMDB0012357 - Methyl 10-gingerol - 86181346 - - Glu-Arg-Phe-Asp - - - - Sequiterpene lactone 326 - 338659 - - Embelin - 3218 HMDB0251767 C10342 D-Tyrosine - 1153 HMDB0250803 C01536 1-Palmitoyl-2-oleoyl-sn-glycero-3-phosphate - 5283523 HMDB0007859 C00416 12(13)Ep-9-KODE - 5283007 HMDB0013623 - N-(6-aminohexyl)-1-chloro-naphthalene-5-sulfonamide - 6993606 - - His-Gln-Val-Lys - - - - 5-cis Carbaprostacyclin - 91886111 - - 5-[(3aR,4S,5S)-5-hydroxy-4-(4-methyl-3-oxooct-1-en-6-ynyl)-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid - 57370008 - - 2-[2-[(2E,3aS,4S,5R,6aS)-Hexahydro-5-hydroxy-4-[(3S,4S)-3-hydroxy-4-methyl-1,6-nonadiyn-1-yl]-2(1H)-pentalenylidene]ethoxy]acetic Acid - 91746213 - - Sappanone A dimethyl ether - 5946498 - - 7,3'-Dihydroxy-8,2',4'-trimethoxyisoflavan - 3666064 - - Ciglitazone - 2750 HMDB0250241 - RCS-4 3-Methoxy isomer - 57502518 - - 3,7-Dihydroxy-12-oxocholanoic acid - 94235 HMDB0000400 - Dihydroconiferyl alcohol - 16822 HMDB0303757 C10448 Tyr-His-Phe-Lys - - - - NSC 23766 trihydrochloride - 16759159 - - Dihydrocelastryl diacetate - 6708713 - - Benzyl 4-hydroxybenzoate - 7180 HMDB0249063 C14393 1,5-Diphenylcarbazide - 8789 HMDB0244234 C11232 Methanone, (1-pentyl-1H-indol-3-yl)(4-propyl-1-naphthalenyl)- - 45268702 - - Sapanisertib - 45375953 HMDB0244472 - Benserazide - 2327 HMDB0248960 - 14-Hydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid - 14605551 HMDB0034987 - Nafamostat - 4413 HMDB0255419 - 2',4',6'-Trihydroxydihydrochalcone - 1226045 HMDB0128079 - 2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxo-6-eicosenoic acid - 25791048 - - Benazeprilat - 5463984 HMDB0060582 - Gln-Leu-Thr-Asp - - - - Clofoctol - 2799 HMDB0250345 - N-Methylisoleucine - 560437 - - Tyr-Glu-Val-Lys - - - - Tetrahydrogambogic acid - 9917275 - - Linifanib - 11485656 HMDB0254099 - JWH 018 6-hydroxyindole metabolite - 53394448 - - Coumarin Suberoylanilide Hydroxamic Acid - 53393956 - - 1,1-Bis(4-hydroxyphenyl)ethane - 608116 - - (2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-5-[[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-5-oxopentyl]-N-tert-butyl-4-(pyridin-3-ylmethyl)piperazine-2-carboxamide - 53713043 HMDB0014369 - 12a-HYDROXY-5-DEOXYDEHYDROMUNDUSERONE - 4620898 - - 3,3,4,4-tetradeuterio-7-[(1R,2R,3R)-3-hydroxy-2-[(3R)-3-hydroxyoctyl]-5-oxocyclopentyl]heptanoic acid - 57369996 - - Desmethylastemizole - 155805 HMDB0061013 - N-(5-Adamant-1-yl methoxy)pentyl deoxynojirimycin - 3662391 HMDB0248353 - Thyrotropin releasing hormone - 638678 HMDB0060080 C03958 2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid - 3392731 HMDB0252992 C15622 JWH 122 2-methylnaphthyl isomer - 91743687 - - PS(16:0/20:4(5Z,8Z,11Z,14Z)) - 24779544 HMDB0012361 - Pyrazolopyridine analog - 10223146 HMDB0253740 - Pantoprazole sulfide - 9799341 HMDB0244298 - 6-Hydroxybuspirone - 9930913 HMDB0061110 - kaempferol 3-O-beta-D-glucopyranosyl-7-O-alpha-L-rhamnopyranoside - 21606527 HMDB0037426 - His-Phe-Asp - 11553484 - - N-Acetylaminooctanoic acid - 95555 HMDB0059745 - Phenylbutyrylglutamine - 9943917 HMDB0011687 - Capivasertib - 25227436 - - 6-Isopropoxy-9-oxoxanthene-2-carboxylic acid - 119461 HMDB0248069 - Wortmannin from Penicillium funiculosum - 3003565 - - ANTIMYCIN A(A1 shown) - 5702199 - - Tyr-Ile-Val-Glu - - - - 18-carboxy dinor Leukotriene B4 - 53393937 HMDB0062301 - Sodium 5-(diphenylphosphinoyl)pentanoate - 46907972 - - Pyrithyldione - 4994 - - 15(S)-HETE-biotin - 91886096 - - Diacetyldideisovaleryl-rhodomyrtoxin - 4317971 - - Tyr-Val-Lys-Lys - - - - Glu-Phe-Thr-Asp - - - - Acetamiprid - 213021 HMDB0247906 - 13(S)-HODE-biotin - 35025246 - - Trp-Cys - 19762195 - - 2,4-Dihydroxybenzophenone - 8572 HMDB0240715 C14215 11-(Dansylamino)undecanoic acid - 122016 HMDB0250876 - Glu-Asp-Lys-Glu - - - - Dihydrogambogic acid - 6857793 - - N-pentadecanoyl-L-Homoserine lactone - 68865575 - - Haematommic acid - 6710680 - - JWH 073 4-hydroxyindole metabolite-d7 - 53394758 - - His-Glu-Ile-Glu - - - - Rotenonic acid, methyl ether - 6708557 - - Gln-Leu-Glu-Lys - - - - Bisphenol B - 66166 HMDB0245327 C14225 isovaleryl-Val-Val-Sta(3xi,4xi)-Ala-Sta(3xi,4xi)-OH - 5462227 HMDB0005007 C00773 Emodic acid - 361510 - - Glafenine - 3474 HMDB0252734 - 7-Hydroxymethotrexate - 5484402 HMDB0061104 - JWH 018 N-pentanoic acid metabolite - 53394451 - - His-Asn-Phe-Lys - - - - PtdIns-(3,4)-P2(1,2-dioctanoyl) - 16219852 - - 2-[4-[2-[(2,4-Difluorophenyl)carbamoyl-heptylamino]ethyl]phenyl]sulfanyl-2-methylpropanoic acid - 9870304 HMDB0252983 - Chloroxuron - 16115 HMDB0250129 - BIX 01294 Trihydrochloride - 46945860 - - Glu-Asp-Val-Asp - - - - Hydrolysis product OF bussein - 54699399 - - Tyr-Thr-Gln-Arg - - - - Tyr-Gln-Ile-Arg - - - - 6-Methoxyflavanone - 97860 - - Thiacloprid - 115224 HMDB0258967 - Ramiprilat - 5464096 HMDB0060579 - Caffeic acid phenethyl ester - 5281787 HMDB0302344 C10484 Triptolide analog - 333793 - - 9-nitro-9E-octadecenoic acid - 11645581 HMDB0062738 - Daidzein 4'-O-glucuronide - 23930394 HMDB0041717 - Carbadox - 135511839 HMDB0031762 - (1S,2R,5S)-5-(4-aminoimidazo[4,5-c]pyridin-1-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol - 6713054 - - 4-ene-Valproic acid - 104896 HMDB0013897 C16648 Ketoprofen glucuronide - 131281 HMDB0010321 - (S)-(+)-JWH 018 N-(4-hydroxypentyl) metabolite - 95065856 - - 1-[(1S,5R)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-3H-indol-2-one - 49840264 - - JWH 073 N-(4-hydroxybutyl) metabolite-d5 - 76974832 - - JWH 073 N-butanoic acid metabolite - 53394457 - - 2-Cyclohexyl-N-(1-isopropylpiperidin-4-yl)-6-methoxy-7-(3-(pyrrolidin-1-yl)propoxy)quinazolin-4-amine - 46224516 - C72005 Glu-Tyr-Ala-Asp - - - - Tyr-Asp-Leu-Glu - - - - Phenol glucuronide - 87235 HMDB0060014 - N-[2-(Dimethylamino)ethyl]-N-methyl-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide - 44599690 - - His-Asn-Ile-Asp - - - - N,N'-Diacetylhydrazine - 72884 HMDB0060496 C16622 7-Epi-cylindrospermopsin - 42628600 - - 10-Hydroxydecanoic acid - 74300 HMDB0244272 C02774 3-(5,8-Dimethoxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid - 46218884 - - Glycerophosphoric acid - 754 HMDB0252849 C03189 N2-(1-Carboxyethyl)-L-arginine - 440237 - C04137 N-[(1S,5S,6R)-5-Hydroxy-5-[(1E,3E,5E)-7-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-7-oxo-1,3,5-heptatrien-1-yl]-2-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]-2E,4E,6R-trimethyl,2,4-decadienamide - 71684620 - - (Z)-Syringin - 9799599 - - Retreversine - 35026749 - - 2-[(4-{[([1,1'-Biphenyl]-4-yl)methyl]amino}-6-chloropyrimidin-2-yl)sulfanyl]octanoic acid - 25147690 - - [4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]-(4-propan-2-yloxyphenyl)methanone - 35026534 - - C12 NBD-Ceramide - 100913584 - - RCS-4 N-(5-carboxypentyl) metabolite - 95549463 - - (9Z)-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]octadec-9-enamide - 24749268 - - Flubendiamide - 11193251 HMDB0252325 - N-(Adamantan-1-yl)-1-(5-fluoropentyl)-1H-indole-3-carboxamide - 57404059 - - Amylotetraose - 870 HMDB0252767 - 5-Nitro-2-(3-phenylpropylamino)benzoic acid - 4549 HMDB0255766 C13705 3,5-Dinitrocatechol - 3870203 HMDB0246069 - Arachidonoyl-1-thioglycerol - 57496189 - - Gln-Asp-Leu-Glu - - - - 6-Amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoic acid - 15607819 - - 1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone - 56776297 HMDB0138162 - 2,4-Dinitrophenol - 1493 HMDB0245462 C02496 N'-(5-chloro-2-hydroxyphenyl)-N-octylpropanediamide - 53238848 - - Glu-Gln-Phe-Arg - - - - 2-Hydroxydesipramine - 121249 HMDB0060992 - Tyr-Phe - 3421919 HMDB0029112 - 4-(4-Fluorophenyl)-2-(4-nitrophenyl)-5-(4-pyridyl)-1H-imidazole - 4712 HMDB0244687 - Clozapine N-oxide - 135445691 HMDB0060900 - Gemcitabine 5'-diphosphate - 6420157 HMDB0060639 - PI-103 - 9884685 HMDB0256521 - Amebacilin - 3430 HMDB0242599 - 4-Dodecylbenzenesulfonic acid - 8485 HMDB0059915 - 5'-O-Desmethyl omeprazole - 10404448 HMDB0014011 - 4-Fluoro-L-phenylalanine - 4654 HMDB0246423 C11217 Tetrahydroharmine - 159809 HMDB0254015 - Dioleoylphosphatidic acid - 9547172 - - 1,2-Docosahexanoyl-sn-glycero-3-phosphocholine - 24779134 HMDB0008748 C00157 3-Methoxyanthranilate - 255720 HMDB0060374 C05831 His-Gln-Asn-Glu - - - - cis-4,10-13,16-Docosatetraenoic Acid methyl ester - 137701031 - - Glu-Asp-Thr-Glu - - - - 2-[(1-{3-[4-(Biphenyl-4-ylcarbonyl)-2-propylphenoxy]propyl}-1,2,3,4-tetrahydroquinolin-5-yl)oxy]-2-methylpropanoic acid - 42626030 - - Apicidin - 6918328 - - 1,2-Dipalmitoleoyl-sn-glycero-3-phosphocholine - 24778764 HMDB0008002 C00157 Glu-Phe-Asp-Glu - - - - 1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phosphate - 24779560 - - Thromboxane B2-d4 - 16061116 - - MAM2201 N-(4-hydroxypentyl) Metabolite - 131668101 - - 4-Hydroxy Triamterene - 71046 HMDB0246440 - N-(2-phenylphenyl)-8-[4-(3-pyridinyl)-1-triazolyl]octanamide - 44819697 - - (+)-Cloprostenol methyl amide - 91746222 - - Thyrotropin alfa - 32281 HMDB0259062 - PE-NMe(18:1(11Z)/20:3(5Z,8Z,11Z)) - 131820238 HMDB0113123 C00350 beta-D-Galactosamine - 739 HMDB0245095 - Agarotriose - 54758621 - - Glutathionylspermine - 24892793 - - 6-O-(alpha-D-Galactopyranosyl)-D-glucopyranose - 440658 HMDB0000048 C05402 PE-NMe(18:1(11Z)/24:1(15Z)) - 131820251 HMDB0113136 C00350 PA(18:2(9Z,12Z)/22:1(13Z)) - 131821939 HMDB0114965 - PA(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) - 52929237 HMDB0115164 - PA(18:3(6Z,9Z,12Z)/14:0) - 52928959 HMDB0114973 - D-Arabinono-1,4-lactone - 17723 HMDB0302833 C00652 (S)-demethyl-4-deoxygadusol - 118987344 - - PE-NMe(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131820194 HMDB0113079 C00350 1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycerol 3-phosphate - 5282296 - - PE-NMe2(14:0/22:0) - 131821000 HMDB0113890 C00350 1-eicosanoyl-2-(15Z-tetracosenoyl)-sn-glycero-3-phosphoethanolamine - 9546987 HMDB0009245 C00350 PE-NMe(16:1(9Z)/22:2(13Z,16Z)) - 131820192 HMDB0113077 C00350 L-galactono-1,4-lactone - 6857365 HMDB0304401 C01115 gamma-Glutamyl-gamma-aminobutyraldehyde - 23724544 - - PS(18:2(9Z,12Z)/18:3(9Z,12Z,15Z)) - 52925462 HMDB0012403 - 3-deoxy-D-manno-octulosonate - 119228 HMDB0304125 C01187 (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-6,10,12,14,16,18,20,22,24,26,30-undecaen-2-ol - 87443256 - - 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate - 439472 HMDB0000400 C01292 3-Dehydro-scyllo-inosose - 90657650 - C21643 1-octadecanoyl-2-(13Z-docosenoyl)-sn-glycero-3-phosphoethanolamine - 9546850 HMDB0009007 C00350 L-xylo-hex-3-ulono-1,4-lactone - 7048614 - - Uridine-5'-diphosphogalactose disodium salt - 23724458 HMDB0000302 C00052 1-pentadecanoyl-2-(9Z-tetradecenoyl)-glycero-3-phosphoethanolamine - 52924158 HMDB0008888 C00350 N-(6-Aminohexanoyl)-6-aminohexanoate - 5245705 - - 2D-2,3,5/4,6-pentahydroxycyclohexanone - 12308755 - C20251 PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 131820389 HMDB0113276 C00350 5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid - 131751119 HMDB0030993 - 9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione - 236828 - - Isovanillic acid - 12575 HMDB0060003 - (4S)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one - 25201520 - C19084 [(2R)-1-hexadecanoyloxy-3-phosphonooxypropan-2-yl] tetracosanoate - 131821888 HMDB0114850 - 2-Deoxy-scyllo-inosose - 10583108 - C17209 D-erythrulose 1-phosphate - 152153 - C21285 D-Pantothenoyl-L-cysteine - 440217 HMDB0006834 C04079 [(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] icosanoate - 131822287 HMDB0115631 - 2-Carboxy-4-dodecanolide - 85931447 HMDB0030987 - Isohumulinone A - 131750950 HMDB0030045 - [(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] icosanoate - 131822290 HMDB0115634 - PE-NMe(15:0/15:0) - 131820055 HMDB0112939 C00350 L-erythrulose 4-phosphate - 101096301 - C21286 1-pentadecanoyl-2-(9Z-octadecenoyl)-glycero-3-phosphoethanolamine - 52924162 HMDB0008894 C00350 [2-methoxy-4-(3-oxobutyl)phenyl]oxidanesulfonic acid - 131839183 HMDB0135676 - Didemethylcitalopram - 162976 HMDB0060472 C16609 PE-NMe(16:0/14:1(9Z)) - 131820155 HMDB0113040 C00350 4-(gamma-L-glutamylamino)butanal - 25246104 - - Phosphatidylserine - 9547096 HMDB0012378 - Oxaluric acid - 456 HMDB0303019 C00802 PE-NMe(14:0/20:1(11Z)) - 131820074 HMDB0112958 C00350 PA(18:4(6Z,9Z,12Z,15Z)/22:2(13Z,16Z)) - 52929044 HMDB0115047 - 1-docosanoyl-2-(9Z,12Z-octadecadienoyl)-glycero-3-phosphoethanolamine - 52924725 HMDB0009489 C00350 PE-NMe(20:2(11Z,14Z)/18:0) - 131820454 HMDB0113342 C00350 17-(4-Hydroxyphenyl)heptadecanoic acid - 20264585 - C21446 3-(3,4-dihydroxyphenyl)-N-(2-(3,4-dihydroxyphenyl)ethyl)propanamide - 383150 HMDB0137022 - 9,10-Dihydrokadsurenone - 443058 - - (9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid - 101634671 HMDB0040611 - PE-NMe(14:0/20:4(8Z,11Z,14Z,17Z)) - 131820103 HMDB0112988 C00350 (S)-2-acetamido-6-oxopimelic acid - 440719 - C05539 Tetracenomycin B1 - 443789 - - PA(20:2(11Z,14Z)/18:1(11Z)) - 131822235 HMDB0115538 - (1E,3Z)-1-(3,4-dihydroxyphenyl)-3-hydroxydeca-1,3-dien-5-one - 46173988 - C17745 2'-N-Acetylparomamine - 46173948 - C17582 Carnitine C16:1 - 53477817 HMDB0006317 - PE(14:1(9Z)/20:2(11Z,14Z)) - 52924147 HMDB0008868 C00350 2-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-diol - 15927131 - C21084 1,5-Naphthalenediamine - 16720 HMDB0244231 C19463 PA(18:3(6Z,9Z,12Z)/20:1(11Z)) - 52928977 HMDB0114986 - 4-[(1S,4S)-4-(1,3-Benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]catechol - 101423087 HMDB0059746 - 2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-6-methoxy-2,3-dihydrochromen-4-one - 3515648 HMDB0128756 - Arnottin II - 443743 - C12258 Murrayazolinine - 101856126 HMDB0030183 - PA(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131821893 HMDB0114868 - Citalopram aldehyde - 9944000 HMDB0060462 C16612 2-Hydroxyenterodiol - 131753175 HMDB0041649 - 3-Hydroxyethylbacteriochlorophyllide a - 46174057 - C18153 Cinncassiol C1 - 46173966 - C17643 Quinoline-4,8-diol - 440737 HMDB0060289 C05637 PE-NMe(18:2(9Z,12Z)/24:1(15Z)) - 131820305 HMDB0113192 C00350 PS(18:1(9Z)/18:3(9Z,12Z,15Z)) - 52925989 HMDB0012392 - PC(20:2(11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 52923197 HMDB0008347 C00157 2-[4-Hydroxy-3-(sulfooxy)phenyl]acetic acid - 131831685 HMDB0125151 - (2S)-2-amino-8-(oxiran-2-yl)-8-oxooctanoic acid - 443587 - C12027 8alpha-Hydroxy-gama-tocopherone - 131769847 HMDB0060143 - 10-Hydroxymyristic acid methyl ester - 101533769 HMDB0031061 - 3,4-Dihydroxy-2-butanone-4-phosphate - 14056322 - - PC(20:2(11Z,14Z)/18:2(9Z,12Z)) - 52923175 HMDB0008336 C00157 Methanimidamide, N'-(1,6-dihydro-6-oxo-2-pyridinyl)-N,N-dipropyl- - 159470 HMDB0249850 - PE(15:0/18:3(6Z,9Z,12Z)) - 52924163 HMDB0008896 C00350 6,8a-Seco-6,8a-deoxy-5-oxoavermectin''1b'' aglycone - 5282007 - - 7-Methoxypradimicinone II - 441175 - C06781 Buspirone n-oxide - 15234439 HMDB0061107 - 15-Acetyl-4-deoxynivalenol - 536551 HMDB0033444 - methyl (3aS,4S,6E,10E,11aR)-10-methyl-4-[(Z)-2-methylbut-2-enoyl]oxy-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-6-carboxylate - 102063123 HMDB0041139 - Dichloromethane - 6344 HMDB31548 C02271 PE-NMe(14:0/24:0) - 131820112 HMDB0112997 C00350 Methyl-D-erythritol Phosphate - 443198 HMDB0304061 C11434 1-Amino-2-methylanthraquinone - 6702 HMDB0243816 C19320 1-aci-nitro-2-(1H-indol-3-yl)ethane - 15663323 - C17204 Trinexapac-ethyl - 92421 HMDB0259248 C18541 [(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] docosanoate - 131822321 HMDB0115665 - PE(18:2(9Z,12Z)/22:2(13Z,16Z)) - 52924378 HMDB0009107 C00350 Kikkanol E - 10243936 - C17607 [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] icosanoate - 131821914 HMDB0114906 - 4-Hydroxy-4-(methylnitrosoamino)-1-(3-pyridinyl)-1-butanone - 53297439 HMDB0062404 C19566 p-Hydroxybenzyldesulphoglucosinolate - 46173871 - C17240 Griseophenone - 631655 - - (10S)-Juvenile hormone III diol - 10859043 - - Isopiperolein B - 16041826 HMDB0033959 - 16,17-(3',2'-Quinolino)androst-5-en-3beta-ol - 247743 - - PC(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) - 52923241 HMDB0008405 C00157 25-Hydroxyvitamin d3-26,23-lactone - 131769836 HMDB0060126 - 5-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbut-1-en-1-yl]phenyl}ethenyl]benzene-1,2,4-triol - 131835319 HMDB0129033 - 1-Tetradecanoyl-2-hexadecanoyl-glycero-3-phosphoserine - 52926089 HMDB0012332 - (4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid - 131834385 HMDB0128010 - (2S,2''S,3S,3''R,4S)-3,4',5,7-Tetrahydroxyflavan(2->7,4->8)-3,4',5,7-tetrahydroxyflavan - 4023574 HMDB0033422 - PE-NMe(18:0/22:4(7Z,10Z,13Z,16Z)) - 131820219 HMDB0113104 C00350 D-erythritol 1-phosphate - 11820149 - C21294 Lucidenic acid M - 131751893 HMDB0035973 - Cinncassiol C - 75144796 HMDB0035166 - (3-{8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid - 131838803 HMDB0135137 - Pyrochlorophyllide - 13132966 - C18157 [(2Z)-12-hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (Z)-2-methylbut-2-enoate - 131752540 HMDB0039084 - PA(20:3(8Z,11Z,14Z)/24:1(15Z)) - 131822250 HMDB0115586 - Salicin 6-phosphate - 440938 - C06188 5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid - 18371062 HMDB0030994 - {4-[(E)-2-{3,5-dihydroxy-4-[(1E)-3-methylbuta-1,3-dien-1-yl]phenyl}ethenyl]phenyl}oxidanesulfonic acid - 131835316 HMDB0129030 - [10]-Gingerdione - 14440539 HMDB0029475 - 2-[(7-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid - 131834943 HMDB0128639 - PA(18:4(6Z,9Z,12Z,15Z)/15:0) - 52929020 HMDB0115029 - 2-[3,4-dihydroxy-5-(3-methylbut-2-en-1-yl)phenyl]-1-[2,4,6-trihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propan-1-one - 131838441 HMDB0134738 - Lactapiperanol D - 10543979 HMDB0033631 - (S)-3-Sulfonatolactate - 443233 HMDB0060176 C11499 Aziridyl benzoquinone - 61215 HMDB0248810 C19333 1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one - 440456 - C04718 1,2-Dihydroxynaphthalene-6-sulfonate - 9543072 - - 7alpha,12alpha,26-Trihydroxycholest-4-en-3-one - 24755528 HMDB0062400 - 8,12-Diethylbacteriochlorophyllide d - 124201680 - C21432 Riesling acetal - 57473083 HMDB0037562 - Dimethylpropiothetin - 23736 HMDB0251405 C04022 3,4,5-trihydroxy-6-{[(16S)-5,7,11-trihydroxy-8,8,10,12-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-16-yl]methoxy}oxane-2-carboxylic acid - 131833925 HMDB0127587 - (4R,5S,6S)-6-[(1R,2R)-1,2-dihydroxy-3-(phosphonooxy)propyl]-5-acetamido-2,4-dihydroxyoxane-2-carboxylic acid - 53477814 HMDB0006268 C06241 Bisosthenon B - 14409176 HMDB0031829 - Ubiquinol 8 - 22833558 HMDB0304523 - n-[4'-Hydroxy-(e)-cinnamoyl]-l-aspartic acid - 24891369 HMDB0029234 - PA(18:3(9Z,12Z,15Z)/14:0) - 52928990 HMDB0115000 - 3-[2-(3,7-dimethylocta-2,6-dien-1-yl)-3,4,5-trihydroxyphenyl]propanoic acid - 131838648 HMDB0134972 - Asparagusic acid - 16682 HMDB0029611 C01892 Terpendole G - 10411534 - C20586 O-methylmalonyl-L-carnitine - 91825610 HMDB0062785 - 1,2-Dihydrovomilenine - 11953964 - - Stealthin C - 443803 - C12392 PA(20:2(11Z,14Z)/20:1(11Z)) - 52929169 HMDB0115544 - PA(18:4(6Z,9Z,12Z,15Z)/18:1(11Z)) - 131821960 HMDB0115033 - Methyl 3,5-di-tert-butyl-4-hydroxybenzoate - 75639 HMDB0061935 - ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid) - 85245874 HMDB0032793 - 9,15,9'-Tri-cis-zeta-carotene - 24755586 - C19764 5-phospho-alpha-D-ribose cyclic-1,2-phosphate - 14035690 - C20440 Avenanthramide E - 10245047 HMDB0029283 - 6-Thiouric acid - 3032417 HMDB0060417 C16613 alpha-Hydroxytoremifene - 101139322 HMDB0143630 - 2,6-Dimethylhexestrol - 11954123 - - PE-NMe(18:1(11Z)/22:2(13Z,16Z)) - 131820245 HMDB0113130 C00350 24,25-Epoxywithanolide D - 14605182 HMDB0034193 - (6R)-2-acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3-hydroxy-6-methylcyclohexa-2,4-dien-1-one - 11954213 - - 4-Chloro-2-methylphenol - 14855 HMDB0246384 C03359 4-((2-Carboxy-3-(2-methoxyethoxy)propyl)-1-cyclopentanecarbonylamino)-1-cyclohexanecarboxylic acid - 123697 HMDB0249582 - Vanillic acid-4-O-glucuronide - 124202104 HMDB0060024 - Ginsenoyne N - 101084303 HMDB0035523 - 4-(3-Butoxy-4-methoxybenzyl)-2-imidazolidinone - 5087 HMDB0062483 - Emetan, 6',7',10,11-tetramethoxy- - 9426 HMDB0251773 - Avermectin B1b aglycone - 11953977 - C11963 PE-NMe(18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131820387 HMDB0113274 C00350 Contignasterol - 9827618 - C19902 Devapamil - 65832 HMDB0251074 C13763 PE-NMe(22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 131823360 HMDB0116731 C00350 PA(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131822081 HMDB0115286 - [1-(3-hydroxy-5-methoxyphenyl)-2-(2-hydroxyphenyl)ethoxy]sulfonic acid - 131839279 HMDB0135781 - 2-[(5-hydroxy-1-oxo-1H-isochromen-3-yl)formamido]acetic acid - 131834949 HMDB0128645 - Desmethyltamoxifen - 3032890 HMDB0144313 - 26-Hydroxy-24-epi-brassinolide - 443057 - - 3-Hydroxykynurenamine - 440736 HMDB0060281 C05636 PE-NMe2(18:0/24:1(15Z)) - 131821119 HMDB0114010 C00350 Phophatidylethanolamine(14:0/22:1) - 53479554 HMDB0008842 C00350 Nicotinate - 937 - - Sarcodon scabrosus Depsipeptide - 131753140 HMDB0041421 - 3,4,5-trihydroxy-6-{[5-(4-methoxyphenyl)-3-oxopentyl]oxy}oxane-2-carboxylic acid - 131836982 HMDB0133003 - 6-Hydroxyemedastine - 14356145 HMDB0060785 - PE(20:4(5Z,8Z,11Z,14Z)/22:2(13Z,16Z)) - 52924660 HMDB0009404 C00350 5,7-Dihydroxy-3,6,8,3',4'-pentamethoxyflavone - 5320478 - - 3-(3,4-Dihydroxyphenyl)-1-(3-beta-D-glucopyranosyl-2,4,6-trihydroxyphenyl)-1-propanone - 16752601 HMDB0030851 - Myxochromide S1 - 23724551 - - Dehydrocarpaine II - 131750992 HMDB0030273 - 3,4,5-trihydroxy-6-{2-[8-(hydroxymethyl)-8-methyl-2-oxo-2H,8H-pyrano[2,3-f]chromen-3-yl]-5-methoxyphenoxy}oxane-2-carboxylic acid - 131839240 HMDB0135735 - 3-Ethylphenyl sulfate - 86290012 HMDB0062721 - aldehydo-N-acetyl-D-mannosamine 6-phosphate - 16069986 - - Landomycin D - 53297397 - C18684 2-(Acetylamino)-4-O-[2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-D-glucopyranose - 10930193 HMDB0006698 - 6-[2-(2H-1,3-benzodioxol-5-yl)-1-hydroxyethyl]-4-methoxy-5,6-dihydro-2H-pyran-2-one - 131836631 HMDB0131687 - {[(3E)-4-{4-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-2-methylbut-3-en-1-yl]oxy}sulfonic acid - 131835370 HMDB0129084 - (E)-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)-2-hydroxyethyl)acrylamide - 90613389 HMDB0135466 - 6-Imino-5-oxocyclohexa-1,3-dienecarboxylic acid - 440394 - C04584 Myxol - 16061290 - C15919 5,10-Methenyltetrahydrofolate - 135398657 HMDB0001354 C00445 3-hydroxypristanic acid - 71346921 HMDB0061651 - Melibiitol - 440655 HMDB0006791 C05399 Dihydroxyacetone phosphate - 668 HMDB0001473 C00111 Myxochromide S3 - 23724553 - - Tigloylgomicin H - 131753207 HMDB0041779 - Ethamoxytriphetol - 6222 HMDB0251999 C14596 (2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoic acid - 5281097 - C08062 Urdamycinone B - 443812 - C12404 (17alpha,23S)-17,23-Epoxy-29-hydroxy-27-norlanosta-1,8-diene-3,15,24-trione - 131751892 HMDB0035971 - 3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate - 131834129 HMDB0127799 - 4,12-Dihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid - 131751652 HMDB0035043 - 1-(4-hydroxy-3-methoxyphenyl)-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-one - 131832330 HMDB0125864 - Reduced haloperidol - 119265 HMDB0060903 - (3-{3,5-dihydroxy-8,8-dimethyl-4-oxo-4H,8H-pyrano[2,3-f]chromen-2-yl}phenyl)oxidanesulfonic acid - 131833775 HMDB0127420 - Androstenedione - 6128 HMDB0000053 C00280 Cyclopassifloic acid B - 21606649 HMDB0038388 - Landomycin J - 53297406 - C18824 Apo-12'-violaxanthal - 131751642 HMDB0034953 - PS(18:2(9Z,12Z)/18:2(9Z,12Z)) - 9547086 HMDB0012402 - Epoxyfumitremorgin C - 131752409 HMDB0038643 - E-Norendoxifen - 60202715 HMDB0060615 - 8-demethyl-8-(alpha-L-rhamnosyl)tetracenomycin C - 86289504 - C20974 O-demethyl-N-demethyl-staurosporine - 10983006 - C21128 3-(3,4-dimethoxyphenyl)-N-[2-(1-hydroxy-3-methoxy-4-oxocyclohexa-2,5-dien-1-yl)ethyl]prop-2-enimidic acid - 131839053 HMDB0135474 - cis-1,2-Dihydroxy-1,2-dihydro-7-hydroxymethylnaphthalene - 656878 - C14104 Uridine-5'-aldehyde - 53792010 - C21079 Hydroxyprolyl-Cysteine - 131750765 HMDB0028860 - N-Glycolyl-Neuraminic acid - 440001 HMDB0062502 C03410 3,4-dihydroxy-2-methyl-4-farnesyl-3H-quinolin-1-ium-1-olate - 118796875 - C21142 Diisononyl phthalate - 590836 HMDB0251352 C15221 (3-{8-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid - 131838774 HMDB0135107 - N1,N5,N10-triferuloyl spermidine - 46173191 - C18071 Protoaphin aglucone - 24892735 - C02879 PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)) - 24779076 HMDB0008443 C00157 Tiliacorine - 442369 - C09667 Auraviketone - 443822 - C12417 PS(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) - 52926081 HMDB0012414 - 2(3H)-Furanone, 3-(((2S,3R)-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-5-benzofuranyl)methyl)-4-((3,4-dimethoxyphenyl)methyl)dihydro-, (3R,4R)- - 46173977 - C17685 Dihydroxyphenylalanine - 6971033 HMDB0000181 - PS(14:0/20:4(5Z,8Z,11Z,14Z)) - 52926030 HMDB0012339 - Isolimocitrol 3-glucoside - 44260061 HMDB0038757 - PE-NMe(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 131820220 HMDB0113105 C00350 beta-Lapachone - 3885 HMDB0249138 C10367 2,6-Dihydroxypseudooxynicotine - 9543025 - - {[4-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-12-yl)-6,11-dihydroxy-2,5-dimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-2-yl]methoxy}sulfonic acid - 131838951 HMDB0135349 - 3,4,5-trihydroxy-6-{[(4E)-5-(4-methoxyphenyl)-3-oxopent-4-en-1-yl]oxy}oxane-2-carboxylic acid - 131836974 HMDB0132995 - PC(20:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 53478883 HMDB0008286 C00157 LPA(20:3(8Z,11Z,14Z)/0:0) - 87978475 HMDB0114759 C00681 Acetyl-maltose - 11349616 - C02130 Vulgaxanthin I - 135665556 HMDB0029840 - Propyl 1-(propylsulfinyl)propyl disulfide - 85752107 HMDB0033071 - [(2R)-2-(10-methyldodecanoyloxy)-3-phosphonooxypropyl] icosanoate - 131822285 HMDB0115629 - 3-[[3-[1,3-Dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-4-hydroxy-5-methoxyphenyl]methyl]-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one - 46174000 - C17812 Ophiopogonone A - 10087732 - C17471 Decaprenyl phosphate - 45479680 - C02970 Malonylcarnitine - 22833583 HMDB0002095 - Na-p-Hydroxycoumaroyltryptophan - 24891366 HMDB0041370 - All-trans-decaprenyl diphosphate - 5462210 HMDB0059616 C17432 (1S,2R,4R,5S,7S,11S,15R,16S)-4,5-dihydroxy-2,16-dimethyl-15-[(2S,3R,4R,5S)-3,4,7-trihydroxy-5,6-dimethylheptan-2-yl]-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one - 56928129 - C19874 PA(18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)) - 131821941 HMDB0114969 - 2-[2-hydroxy-4-methoxy-3-(sulfooxy)phenyl]propanoic acid - 131837699 HMDB0133893 - 1-Phenyl-3-(phenylsulfonyl)-2-propen-1-one - 5355967 - - {[5-(4-methoxyphenyl)-2-methyl-3-oxopentyl]oxy}sulfonic acid - 131836955 HMDB0132965 - Physalin E acetate - 131751197 HMDB0031878 - [(2R)-2-octanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate - 131822588 HMDB0115932 - PA(18:3(6Z,9Z,12Z)/24:1(15Z)) - 131821951 HMDB0114999 - Cinncassiol C1 19-glucoside - 131751676 HMDB0035167 - Cystine - 595 HMDB0250712 C01420 Lavoltidine - 55473 HMDB0254182 C11805 (20E)-7-butyl-11,16,23,24,25-pentahydroxy-10,19,20-trimethyl-15-methylidene-8,13,28,29-tetraoxatetracyclo[22.3.1.13,6.012,14]nonacos-20-ene-9,18-dione - 56928151 - C20007 13-(2-Methylcrotonoyl)oxylupinine - 5280655 - C04170 Mycinamicin VII - 13121618 - - 6-[2,3-dihydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131837195 HMDB0133258 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-3-(4-methoxyphenyl)-3-oxo-1-phenylpropan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131839152 HMDB0135629 - 2-Formylglutaric acid - 23336300 - - (10S)-Juvenile hormone III diol phosphate - 24892784 - - methyl (1R,2S)-2,5,7-trihydroxy-2-methyl-4,6,11-trioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate - 53297389 - C18630 12-trans-Hydroxy juvenile hormone III - 11011465 - - N(2)-phenylacetyl-L-glutaminate - 25200515 HMDB0062645 - Mikamycin B - 14974 HMDB0256777 C11615 7-O-Acetylaustroinulin - 131752055 HMDB0036804 - 2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid - 131834334 HMDB0127948 - Carotamine - 131752767 HMDB0039955 - Hexahydrocurcumin - 5318039 HMDB0302135 C17826 Fahfa(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14-O-22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 131819632 HMDB0112171 - 2-(4-Hydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4-(4-hydroxystyryl)benzofuran-6-ol - 9803898 HMDB0140527 - Histidinyl-glutamine - 9903897 HMDB0028883 - 3,5-dihydroxy-8-(hydroxymethyl)-8-methyl-2-phenyl-4H,8H-pyrano[2,3-f]chromen-4-one - 131833750 HMDB0127395 - [(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulate - 131839153 HMDB0135631 - Mycophenolic acid acyl glucuronide - 10028772 HMDB0060491 C20383 3-Demethylubiquinone-9 - 135398691 HMDB0060370 C03226 19-Hydroxycinnzeylanol 19-glucoside - 131752068 HMDB0036856 - Lucidone C - 14109415 HMDB0038152 - 7,7,12,16-tetramethyl-15-(6-methyl-5-methylideneheptan-2-yl)pentacyclo[9.7.0.0^{1,3}.0^{3,8}.0^{12,16}]octadecan-6-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate - 12313783 HMDB0035121 - N-docosahexaenoyl phenylalanine - 52922060 HMDB0062333 - 1,7-Diphospho-1-epi-valienol - 50994408 - C21206 6-Hydroxyenterodiol - 131753185 HMDB0041699 - (S)-9-Hydroxy-10-undecenoic acid - 10465398 HMDB0032662 - 1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate - 25271610 - C19761 [(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] 22-methyltetracosanoate - 131822289 HMDB0115633 - PE-NMe(18:1(11Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131820247 HMDB0113132 C00350 PE-NMe(15:0/18:3(6Z,9Z,12Z)) - 131820136 HMDB0113021 C00350 PA(18:3(9Z,12Z,15Z)/16:0) - 52929544 HMDB0115003 - Cinncassiol D2 glucoside - 131751607 HMDB0034679 - [(10-{[2,2-dimethyl-7,10-bis(2-methylbut-3-en-2-yl)-8-oxo-2H,8H-pyrano[3,2-g]chromen-5-yl]oxy}-2-methyl-7-(2-methylbut-3-en-2-yl)-5-[(2-methylbut-3-en-2-yl)oxy]-8-oxo-2H,8H-pyrano[3,2-g]chromen-2-yl)methoxy]sulfonic acid - 131837009 HMDB0133030 - 2'-Deamino-2'-hydroxyparomamine - 10711092 - C20353 Endoxifen sulfate - 131770047 HMDB0061140 - Egonol gentiobioside - 74960882 HMDB0034281 - (2,4-dihydroxyphenyl)-[(1R,2S,6S)-6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-methylcyclohex-3-en-1-yl]methanone - 14334307 HMDB0033296 - DL-Pantothenic acid - 988 HMDB0250782 - PE-NMe(18:3(6Z,9Z,12Z)/24:1(15Z)) - 131820333 HMDB0113220 C00350 [(2R)-2-octanoyloxy-3-phosphonooxypropyl] icosanoate - 131821976 HMDB0115090 - (Z)-(7S,8S)-Dihydroxyoctadeca-9-enoate - 5281030 - C07355 LPA(18:3(6Z,9Z,12Z)/0:0) - 131821848 HMDB0114743 C00681 Stylisterol A - 5282351 - C14157 PA(18:3(9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) - 52929014 HMDB0115021 - N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide - 44420526 HMDB0139940 - PE(15:0/20:3(8Z,11Z,14Z)) - 52924169 HMDB0008903 C00350 PE-NMe(14:1(9Z)/18:1(11Z)) - 131820063 HMDB0112947 C00350 N6,N6,O-Tridemethylpuromycin-5'-phosphate - 44176374 - C07027 Coenzyme Q8 - 5283546 HMDB0304524 C17569 Bisindolylmaleimide i - 2396 HMDB0249269 C11238 5-Hydroxy-6-methoxy-3-methyl-2-octaprenyl-1,4-benzoquinone - 135398718 - C05815 Tetrahydropteroylglutamate - 135402046 HMDB0243631 - Ginsenoyne L - 72798624 HMDB0035524 - PA(18:1(11Z)/18:3(6Z,9Z,12Z)) - 131821911 HMDB0114903 - PE(18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52924410 HMDB0009144 C00350 25-O-Desacetyl rifabutin - 137175340 HMDB0060732 - Norbelladine - 416247 - - 2-Decaprenyl-6-methoxy-1,4-benzoquinone - 25010761 HMDB0060248 - Dukunolide A - 73820465 HMDB0035683 - PE-NMe(18:4(6Z,9Z,12Z,15Z)/24:1(15Z)) - 131820391 HMDB0113278 C00350 (10S)-Juvenile hormone III acid diol - 23724772 - - [4-(5-Hydroxy-7-methoxy-8-methyl-4-oxochromen-3-yl)-2-methoxyphenyl] hydrogen sulate - 131835836 HMDB0129590 - (E)-indol-3-ylacetaldoxime - 439854 HMDB0303989 - (2'S)-Deoxymyxol 2'-alpha-L-fucoside - 23724611 - - 1-(9Z-octadecenoyl)-2-(9Z-tetradecenoyl)-glycero-3-phosphate - 52928915 HMDB0114922 - PE(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)) - 53479794 HMDB0009410 C00350 Demethyl-desacetyl-rifamycin SV - 11954038 - - Psychosine sulfate - 5280538 HMDB0013046 C02744 (S)-4-deoxygadusol - 122706197 - - [(2R)-3-phosphonooxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-docos-13-enoate - 131822067 HMDB0115271 - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[5,10-dihydroxy-8,8-dimethyl-6-(2-methylpropanoyl)-2-oxo-4-phenyl-2H,8H,9H,10H-pyrano[2,3-h]chromen-9-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131832551 HMDB0126107 - Tuberoside - 70685270 HMDB0039054 - cyclic Melatonin - 129373222 HMDB0060811 - Atractyloside C - 71448953 - C17860 PA(18:4(6Z,9Z,12Z,15Z)/16:0) - 52929022 HMDB0115030 - 6-[4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]-C-hydroxycarbonimidoyl}ethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131839092 HMDB0135515 - PE-NMe(14:1(9Z)/20:3(5Z,8Z,11Z)) - 131820120 HMDB0113005 C00350 5-Amino-1-(5-phospho-D-ribosyl)imidazole - 16048619 - - [(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] 22-methyltricosanoate - 131822583 HMDB0115927 - Avermectin A1b monosaccharide - 11953980 - - 5'-Dehydroinosine - 135398677 - C01993 1-Oleoylglycerone 3-phosphate - 5280612 - C03630 Zileuton O-glucuronide - 71752997 HMDB0060914 - ascopyrone M - 9855505 - C19822 N-Acetyl-leu-leu-leu-leu-leu-tyr-amide - 443306 - C11607 8-[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-6-[2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol - 131838660 HMDB0134986 - 6-(2,4-dihydroxyphenyl)-2-(4-{7-[(3,3-dimethyloxiran-2-yl)methyl]-6-hydroxy-1-benzofuran-2-yl}-2,6-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid - 131832597 HMDB0126156 - [(1S,3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate - 102444973 HMDB0040807 - Neriantogenin - 12313294 HMDB0030044 - [8-[2-(3-Methylbutanoyloxy)propan-2-yl]-2-oxo-8,9-dihydrofuro[2,3-h]chromen-9-yl] 3-methylbutanoate - 5088569 - - alpha-Tocotrienoxyl radical - 131769849 HMDB0060145 - 3-Oxooctanoic acid - 128859 HMDB0010721 - Copalyl diphosphate - 5281990 - - PE(22:0/18:3(6Z,9Z,12Z)) - 52924726 HMDB0009490 C00350 6-{[2-(3,4-dihydroxyphenyl)-3,5,6-trihydroxy-8-[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 - 131833098 HMDB0126716 - 22-Hydroxydocosanoic acid - 5282922 HMDB0302963 C19623 3,6-Bis(acetyloxy)-11,12-dihydroxy-5-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaen-4-yl acetate - 10344454 HMDB0034709 - Methyl red - 10303 HMDB0254611 - PE(18:3(9Z,12Z,15Z)/24:1(15Z)) - 53479692 HMDB0009179 C00350 PA(18:3(6Z,9Z,12Z)/22:0) - 52928983 HMDB0114991 - Lyngbyatoxin - 3979 - - Praecoxin A - 14777391 HMDB0256726 - [(2R)-1-[(Z)-octadec-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-icos-11-enoate - 131821915 HMDB0114907 - Difloxacin - 56206 HMDB0251259 C11234 {4-[3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enoyl]phenyl}oxidanesulfonic acid - 131832324 HMDB0125858 - PE-NMe(15:0/22:1(13Z)) - 131820147 HMDB0113032 C00350 Tabtoxin biosynthesis intermediate 6 - 92042782 - C20916 Germacra-1(10),4,11(13)-trien-12-al - 25245391 - C19677 5-amino-2-[[(9Z,12Z,15Z)-17-hydroxyoctadeca-9,12,15-trienoyl]amino]-5-oxopentanoic acid - 23724728 - - Formothion - 17345 HMDB0252447 C18988 PA(20:3(8Z,11Z,14Z)/15:0) - 52929184 HMDB0115563 - 3,4,5-trihydroxy-6-{[(16R)-5,7,11-trihydroxy-8,8,10,16-tetramethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-9-oxo-17-oxa-4-azabicyclo[14.1.0]heptadec-4-en-12-yl]methoxy}oxane-2-carboxylic acid - 131833931 HMDB0127593 - Lolicine A - 72734310 - C20584 N-(5-phospho-beta-D-ribosyl)anthranilic acid - 440289 - C04302 3-Deoxo-4b-deoxypaxilline - 71745335 - C20534 (R)-1-((((2-Aminoethoxy)hydroxyphosphinyl)oxy)methyl)ethylene diicosanoate - 52924879 HMDB0009229 C00350 Apo-4'-lycopenal - 50986183 - - Desmethylcitalopram - 162180 HMDB0013912 C16608 3A-Deolivosylpremithramycin B - 53297401 - C18710 PE-NMe(18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131820358 HMDB0113245 C00350 Phosphoramide mustard - 96356 HMDB0060689 C07647 3-Lauryl-4-(isovaleryl)sucrose - 91754224 - - (1R,3S,5R,11S,12S,16R,18S,20R,21Z,24S,26R,28S,30R,31R,33S,35R,37S,44S)-14-(3-chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one - 56928154 - C20015 (3S,5R)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,3,3a,4,5,6,7-octahydroazulene - 5317845 - - 3-Oxododecanoic acid - 439717 HMDB0010727 C02367 5-Hydroxyconiferyl alcohol - 5282095 HMDB0060398 C12205 Muzanzagenin - 10836928 HMDB0032601 - Bis(5-hydroxynoracronycine) - 10532237 HMDB0032114 - (4R)-7-Hydroxy-4-isopropenyl-7-methyloxepan-2-one - 53297421 - C19079 N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate - 84705 HMDB0244658 C11216 3-Hydroxyundecanoyl carnitine - 131770390 HMDB0061637 - PE-NMe(16:0/24:0) - 131820174 HMDB0113059 C00350 N-Acetyl-leu-leu-tyr - 443128 - C11330 TRIBUTYL PHOSPHATE - 31357 HMDB0259164 C14439 Patientoside A - 85359141 HMDB0037098 - L-cis-Cyclo(aspartylphenylalanyl) - 119494 HMDB0031360 - 1-Caffeoyl-beta-D-glucose - 5281761 HMDB0302440 C10433 trans-Zeatin riboside triphosphate - 24892782 - - 6-[3,5-Dihydroxy-2-(3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid - 131832478 HMDB0126012 - Farnesyl phosphate - 10357552 - C20121 4,5-Dihydro-4-hydroxy-5-S-glutathionyl-benzo[a]pyrene - 11954068 HMDB0060391 C14855 3-Hydroxy-5Z-octenyl acetate - 92034372 HMDB0030369 - 1-Palmitoyl-2-vernoloyl-phosphatidylcholine - 90659302 HMDB0285953 C00641 Myricetin 3-(6-acetylgalactoside) - 131751771 HMDB0035456 - PA(20:4(5Z,8Z,11Z,14Z)/15:0) - 52929215 HMDB0115146 - Norbuprenorphine - 114976 HMDB0060546 - PC(20:2(11Z,14Z)/22:4(7Z,10Z,13Z,16Z)) - 52923207 HMDB0008351 C00157 [(2R)-3-phosphonooxy-2-tridecanoyloxypropyl] 22-methyltricosanoate - 131822578 HMDB0115922 - PA(18:4(6Z,9Z,12Z,15Z)/14:0) - 52929018 HMDB0115027 - 6,8-bis[3,7-dihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol - 131838663 HMDB0134989 - 3-Dehydro-2-deoxyecdysone - 15251159 - - 1-Palmitoyl-2-(1-enyl-palmitoyl)-sn-glycero-3-phosphocholine - 53478671 HMDB0007994 C00157 Stemmadenine - 443367 - - [(1S,3S,5S,8S,10S)-10,14-dihydroxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] acetate - 25200381 - - 14-Hydroxyclarithromycin - 84020 HMDB0061019 - methyl (1S,2R,3S,4R,5R,6S,8R,11R,12R,15S,16S,22R,23R,24S)-3,4,23,24-tetraacetyloxy-22-(1-acetyloxyethyl)-11-hydroxy-2,5,15-trimethyl-9-methylidene-19-oxo-7,20-dioxahexacyclo[13.9.0.02,12.05,11.06,8.016,22]tetracos-17-ene-6-carboxylate - 11643509 - C13849 2,4-Dimethylphenol - 7771 HMDB0245456 C14582 Thiobenzamide S,S-dioxide - 11949596 - - Beta-Tyrosine - 440311 HMDB0003831 C04368 1-(9Z-octadecenoyl)-2-octadecanoyl-glycero-3-phosphate - 52929549 HMDB0114926 - N-Monodesmethyl-rizatriptan - 11742124 HMDB0060847 - 6-[2-(3-{3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl}-2-hydroxypropanoyl)-5-hydroxy-4-(3-methylbut-2-en-1-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid - 131837175 HMDB0133235 - N-Acetyl-O-demethylpuromycin-5'-phosphate - 46173767 - C07030 [(1R,2R,3R,4R,5S,6R)-2,3,4,5-tetrahydroxy-6-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] 2-(1H-indol-3-yl)acetate - 126961081 - - PE-NMe(14:0/20:0) - 131820098 HMDB0112983 C00350 (1beta)-9alpha,10beta-Diacetoxy-5alpha-cinnamoyloxytaxa-4(20),11-diene-2alpha,13alpha-diol - 101607180 - - 3-(4-Bromophenyl)-5-(1-chloro-2-methylpropan-2-YL)-1,2,4-oxadiazole - 46738778 - - Prolylprolyllysine - 13653503 - - Dichotomin J - 44566559 - - 2-(4-Acetylpiperazin-1-yl)ethanethioamide - 24705741 - - [(2S,3S,4R,5R,6R)-3,5-dihydroxy-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-4-yl] (E)-3-phenylprop-2-enoate - 45360128 - - 1-O-Galloylpedunculagin - 452242 HMDB0039244 - 2-[6-[[amino-[(E)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine - 88536661 HMDB0015016 - sn-3-O-(Geranylgeranyl)glycerol 1-phosphate - 11705814 - C04590 1beta-Acetoxy-6-drimen-8alpha,11alpha-diol - 12082678 - - [(2S,3R,4S,6R)-2-[[(1S,2R,3R,6E,8S,9S,10S,12R,14E,16S)-3-ethyl-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-8,10,12-trimethyl-5,13-dioxo-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-dien-9-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-dimethylazanium - 90657383 - - 1-Bromo-3-(butane-1-sulfinyl)benzene - 21612708 - - Premithramycin A3' - 443798 - C12386 cyclo[Gly-Ile-Val-Tyr-Phe-Pro] - 11239323 - - (2R)-2-(3,4,5-trihydroxybenzoyl)oxybutanedioic acid - 10803091 - - Dichotomoside D - 10439386 - - 4alpha-Hydroxymethyl,4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol - 50986127 HMDB0304199 - Trp-Thr-Leu - 11976076 - - Glycosyl-4,4'-diaponeurosporenoate - 24892780 - - Modafinil Acid - 3085267 HMDB0061039 - Asparagyltryptophylarginine - 18219303 - - Thermozeaxanthin-13 - 23724617 - - Neoagarotetraose - 54758609 - - trans,Polycis-decaprenyl phosphate(2-) - 45479679 - - 1-Palmitoyl-2-linoleoyl-sn-glycero-3-phosphate - 9547167 HMDB0007860 C00416 2-[hydroxy-[2-[(Z)-octadec-9-enoyl]oxy-3-[(Z)-tetradec-1-enoxy]propoxy]phosphoryl]oxyethyl-trimethylazanium - 5282300 - C00157 Ala-Ile-His - 448482 - - alpha,alpha'-Trehalose 6-palmitate - 15071718 - C04265 Curtisian N - 10051500 - - 6'-Oxogentamicin X2 - 121231426 - C21267 6-Oxoiguesterol - 10342107 - - Tricin-4'-O-rutinoside-7-O-rutinoside - - - - PA(22:2(13Z,16Z)/24:1(15Z)) - 131822097 HMDB0115322 - 1-hexadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-D-myo-inositol - 11072889 HMDB0062653 - 2-(5-iodo-2-methyl-1H-indol-3-yl)ethanamine - 671925 - - Gln-Ser-Ile-Lys - - - - [(1S,2S,6R,10S,11R,13S,14R,15R)-13-acetyloxy-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-5-oxo-14-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] hexadecanoate - 119080 - - 2-{4-[4-{3,5-Dihydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl}-2,5-bis(4-hydroxyphenyl)oxolan-3-yl]-2,6-dihydroxyphenyl}-6-(hydroxymethyl)oxane-3,4,5-triol - 56776286 - - 1-eicosanoyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphate - 52929117 HMDB0115084 - (4aR,6aS,6bR,9S,10S,12aR)-10-hydroxy-2,2,4a,6a,6b,9,12a-heptamethyl-9-[[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picen-4-one - 25200648 - - Humic acid - 6441498 HMDB0253230 - Tris(1,3-dichloro-2-propyl)phosphate - 26177 HMDB0244565 - 7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)chromen-4-one - 11131197 - - 1-Carboxy-5-methylphenazine-5-ium - 50986168 - C21295 3-(Indol-3-yl)lactate - 9548603 - - 4'-Benzyloxy-5,7-dimethoxyflavone - 45933938 - - PE(22:2(13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 52924802 HMDB0009573 C00350 2-(2-hydroxyphenyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione - 705095 - - [(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate - 38358434 - - Alanyltyrosylarginine - 18218560 - - cytosyl-4'-oxo-beta-D-glucuronate - 91820180 - - (2R)-2alpha-(Hydroxymethyl)-3beta,4alpha,8,10-tetrahydroxy-2,3,4,4aalpha,6,10bbeta-hexahydropyrano[3,2-c][2]benzopyran-6-one - 10063249 - - Methanofuran b - 91820308 - - Val-Pro-Arg - 10248593 - - 2-azaniumyl-4-{5-[(2S)-2-azaniumyl-2-carboxylatoethyl]-1H-imidazol-2-yl}butanoate - 25203075 - - 8-Fluoro-5-(trifluoromethyl)quinoline - 46739347 - - 2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-hydroxy-1-(4-methoxyphenyl)-4-methyl-3-oxopentan-2-yl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid - 131836944 HMDB0132953 - Carnitine C21:3 - - - - Gln-Leu-Glu - 11176715 - - Strophanthin - 220861 HMDB0242744 - PA(18:1(9Z)/22:2(13Z,16Z)) - 52928929 HMDB0114939 - [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 14-methylpentadecanoate - 131823279 HMDB0116646 C00344 3,4,5-Trihydroxy-2-[hydroxy(3,4,5-trihydroxyoxan-2-yl)methyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexa-2,5-dien-1-one - 131834564 HMDB0128223 - Tryptophyltryptophylarginine - 18231791 - - Met-Pro-Phe - 25183215 - - 2-Aminophenylglyoxylate - 3782987 - - 1-pentadecanoyl-2-(11Z-eicosenoyl)-glycero-3-phosphocholine - 52922324 HMDB0007945 C00157 2,2'-Dihydroxy-3,3',4,4',7,7'-hexamethoxy-9,9',10,10'-tetrahydro-1,1'-biphenanthrene - 24762427 - - (2S)-2-[[4-[(6aR)-3-amino-1-oxo-5,6,6a,7-tetrahydro-4H-imidazo[1,5-f]pteridin-10-ium-8-yl]benzoyl]amino]-5-hydroxy-5-oxopentanoate - 644350 - - Asparenydiol - 10084256 - - Carboxin - 21307 HMDB0249648 C11255 Resveratrol 4'-O-beta-D-(2''-O-galloyl)-glucopyranoside - 10325054 - - 1-[3-carboxylato-3-[(3-carboxylato-3-hydroxypropyl)azaniumyl]-2-hydroxypropyl]azetidine-2-carboxylate - 25201351 - - PC(P-16:0/18:3(9Z,12Z,15Z)) - 52923894 HMDB0011213 C00157 13'-Hydroxy-gamma-tocopherol - 53481467 HMDB0012561 - 3,4,5-trihydroxy-6-[(2,4,5-trihydroxy-6-{[hydroxy(4-oxocyclohexa-2,5-dien-1-ylidene)methoxy]methyl}oxan-3-yl)oxy]oxane-2-carboxylic acid - 131831711 HMDB0125181 - Gly-His-Val - 145455635 - - 7-Mercaptoheptanoate - 19809280 - - 2-Oxo-4-phosphonobutyrate - 90658390 - - 3-Hydroxy-4-octyl-5-oxooxolane-2,3-dicarboxylic acid - 128964476 - - 4-methylphenyl 5-phospho-alpha-D-ribofuranoside - 102515082 - - N-benzyl-5-phenyl-1,2-oxazole-3-carboxamide - 5243833 - - 4-(3,4-Difluorophenoxy)piperidine - 16244268 - - (2-Methyl-3,5-dinitrophenyl)azanium - 90658867 - - Mahaleboside - 131751353 HMDB0032984 - 2-{2,6-dihydroxy-4-[6-hydroxy-7-(3-methylbut-2-en-1-yl)-1-benzofuran-2-yl]-3-methoxyphenyl}-6-(2,4-dihydroxyphenyl)-4-methylcyclohex-3-ene-1-carboxylic acid - 131832663 HMDB0126228 - His-Met-Met - 145455920 - - Zeaxanthin glucoside - 10963664 - - Bis(3-azidopyridinium)-1,10-decane perchlorate - 656711 - C13679 Dibenzepin - 9419 HMDB0251161 - Tyr-Glu-Asn - 10273903 - - Thiamin acetic acid - 439838 - C02892 8,9-Dimethoxy-7-methyl-10,11-dihydrodibenzo[b,f]oxepine-1,6-diol - 641747 - - Albendazole oxide - 83969 HMDB0059609 C02809 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one - 5305969 - - [(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-[(7S)-2-amino-7-methyl-4-oxo-7,8-dihydro-1H-pteridin-6-yl]ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methyl phosphate - 90658405 - - 1,6,8-Trimethylallantoate - 122706624 - - Asterrate - 54751309 - - Hydroxy Ritonavir - 71749331 HMDB0061044 - N-[(2,6-dimethylphenyl)carbamothioyl]thiophene-2-carboxamide - 3257925 - - Dioleoyl phosphatidate - 71627209 - C00641 NCGC00385102-01_C18H16O5_2(5H)-Furanone, 4-(2-hydroxy-4-methoxyphenyl)-5-[(4-hydroxyphenyl)methyl]- - 56776306 - - Selumetinib - 10127622 HMDB0304858 - 2-Acetamidophenyl phenyl sulfide - 365383 - - 3-Bromopropyltrimethylaminium - 151146 - - N-(6-Aminohexyl)-1-Naphthalenesulfonamide - 4314 HMDB0255017 - His-Pro-Asp - 145455945 - - (5E)-5-[(2-methoxy-1-naphthyl)methylene]-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione - 1356692 - - 3-Methoxy-4-hydroxy-5-all-trans-heptaprenylbenzoate - 54746223 - - S-nitrosoglutathione(1-) - 7059524 - - 2-(Imidazo[1,2-A]pyridin-2-Yl)-N-Phenylacetamide - 25342159 - - Met-Val-Phe - 132560577 - - [2,4-dihydroxy-3-(3-hydroxy-3-methylbutyl)phenyl]-[(1R,2R,6S)-6-(2,4-dihydroxyphenyl)-2-[2-(3,5-dihydroxyphenyl)-6-hydroxy-1-benzofuran-5-yl]-4-methylcyclohex-3-en-1-yl]methanone - 11411266 - - PC(18:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 24778871 HMDB0008055 C00157 Dimethylenetriurea - 441000 - C06385 (1R,6E)-1beta,2alpha,3abeta,11beta,13alpha-Pentaacetoxy-2,5alpha,8,8-tetramethyl-10alpha-(2-methylbutyryloxy)-12-methylene-2,3,3a,4,5,8,9,10,11,12,13,13aalpha-dodecahydro-1H-cyclopentacyclododecene-4,9-dione - 23757100 - - 2-(3-Fluorophenyl)benzonitrile - 1393588 - - 4-methoxy-3-[4-[[(5S)-11-methoxy-6,19-dimethyl-20-oxo-2,13-dioxa-6,19-diazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),3,9,11,15,21-hexaen-5-yl]methyl]phenoxy]benzaldehyde - 389057 - - Diquafosol - 148197 HMDB0006796 C06198 alpha-D-ribose 1-(acetamidomethylphosphonate) 5-triphosphate - 122706418 - - Diethyl sulfate - 6163 HMDB0251240 C14706 [(1S,2S,3R,5S,8R,9R,10R)-2-acetyloxy-1,9,10-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (Z)-3-phenylprop-2-enoate - 5315667 - - 2-Keto-3,6-dideoxy-6-sulfogluconate - 92136146 - - Phenothiazin-10-yl-piperidin-1-yl-methanone - 705775 - - Tyr-Ala-Asn - 10133481 - - (2R,4S)-4-Fluoropyrrolidine-2-carboxamide - 25050109 - - Cocaine(1+) - 21635054 - - (2R,3S)-3-[3-(5-ethyl-2-hydroxyphenyl)-4-hydroxyphenyl]-2-(hydroxymethyl)-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)-2,3-dihydro-1-benzofuran-7-ol - 5319209 - - 9-Chloro-17beta-hydroxy-17-methylandrost-4-ene-3,11-dione - 11954168 - - PA(18:2(9Z,12Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 52928951 HMDB0114963 - PA(15:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 131821880 HMDB0114828 - Labadoside - 101093581 HMDB0036397 - 4-[5-(4-Hydroxy-3,5-dimethoxyphenyl)-3,4-bis(hydroxymethyl)oxolan-2-yl]-2,6-dimethoxyphenol - 9867660 - - Trp(O)-Asp - - - - 3-[(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-1-ol - 1583275 - - 5'-O-beta-D-Glucosylpyridoxine - 440188 - C03996 7-Hydroxychlorpromazine - 16414 HMDB0060991 - N-(3-Benzooxazol-2-yl-4-hydroxy-phenyl)-2-p-tolyloxyacetamide - 443271 - - LPE(0:0/16:0) - 53480922 HMDB0011473 C04438 3-(p-Coumaroyl)ursolic acid - 24203733 HMDB0304748 - Abemaciclib mesylate - 71576678 - - [2-methoxy-4-(3,5,6-trihydroxy-7-sulinooxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate - 131834177 HMDB0127823 - (2Z,4'Z)-2-(5-Methylthio-4-penten-2-ynylidene)-1,6-dioxaspiro[4.4]non-3-ene - 14540699 HMDB0032660 - 5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone - 44389277 HMDB0041691 - 1-cyclohexyl-3-[3-(1H-imidazol-1-yl)propyl]thiourea - 2918257 - - 4-(3,4-Dihydroxyphenyl)-7-hydroxy-5-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-2-one - 23872126 - - 6-[3-Acetamido-2-hydroxy-6-(hydroxymethyl)-5-sulfooxyoxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid - 4368136 HMDB0000652 - Acylsucrose S4:24[6] (2,5,5,12) - 91754211 - - Sulfluramid - 77797 HMDB0258587 C18766 gamma-Glutamyl-beta-aminopropiononitrile - 440920 HMDB0060477 C06114 2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide - 39005031 - - 2-Aminopyridine - 10439 HMDB0245026 - Dihydroclavaminate - 45266549 - - Fipronil - 3352 HMDB0252265 C11099 bis(beta-glucuronosyl)bilirubin-IX alpha - 134820174 - - (2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside] - 131753087 HMDB0041255 - 4beta,4'beta-Oxybis(3,4,8,9-tetrahydro-8alpha-isopropenyl-5-methoxy-2alpha-phenyl-2H-furo[2,3-h]-1-benzopyran) - 15479307 - - 3-Hydroxymethylenetanshinquinone - 5318290 - - Pelargonidin 3-O-rutinoside - 443917 HMDB0303787 C12644 (1S,2S,3R,4S)-2-[(Benzoyloxy)methyl]-5-cyclohexene-1,2,3,4-tetraol 3,4-diacetate - 56958932 - - Avenanthramide A2 - 131750842 HMDB0029297 - {[(2Z)-2-[(3-hydroxyphenyl)methylidene]heptyl]oxy}sulfonic acid - 131832942 HMDB0126529 - (4-Amino-2-methylpyrimidin-5-YL)methyl dihydrogen phosphate - 216 - C04556 D-Alanyl-alanyl-poly(glycerolphosphate) - 24892747 - C04457 3-Methyl-2-thioxoimidazolidin-4-one - 3037576 HMDB0247205 - anthracene-9-carboxylic acid - 2201 HMDB0248461 C13699 Benzidine Yellow GR - 174092 HMDB0037803 - Zizybeoside II - 46173942 HMDB0034955 C17565 Ser-Cys-Cys - 145457704 - - 8-Carboxymethyldihydrochelerythrine - 13946324 HMDB0029832 - PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)) - 52929032 HMDB0115038 - Siphonol A - 10952715 - - Tyr-Arg-Lys-Asp - - - - Xyl(b1-6)Glc(a1-6)b-Glc - 25087634 - - beta-Amyrin p-hydroxy-cis-cinnamate - 11801225 - - [4-[(3S)-3,4-dimethylpentanoyl]oxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate - 637388 - - 6-{[12-(6,11-dihydroxy-2,2,5-trimethyl-10-oxo-3,4,5,10-tetrahydro-2H-1-oxa-5-azatetraphen-4-yl)-6-hydroxy-2,2,5-trimethyl-10-oxo-5,10-dihydro-2H-1-oxa-5-azatetraphen-11-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid - 131838923 HMDB0135321 - [3,4-dihydroxy-5-[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[2-methylidene-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(4-hydroxy-2-methylidenebutanoyl)oxymethyl]oxan-2-yl]oxybutanoyl]oxymethyl]oxan-2-yl]oxybutanoyl]oxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoate - 45360113 - - methyl 3-ethenyl-4-(9H-pyrido[3,4-b]indol-1-ylmethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate - 5316604 - - N(1)-(5-phospho-D-ribosyl)glycinamide(1-) - 45266651 - - (x)-1,2-Propanediol 1-O-b-D-glucopyranoside - 21225084 HMDB0033065 - Lonicerine - 5370086 HMDB0005799 C17557 1-hexadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphate - 9547168 HMDB0114841 - Aspartylcysteine - 18218191 HMDB0028750 - 2,3-bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine(1-) - 70698354 - - (6aR,9R,10aR)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline - 10381998 - - Lonijaposide C - 24879107 - - Aureothin - 6569946 - - 2-Hydroxy-imipramine glucuronide - 10874382 HMDB0060717 - {4-[1-hydroxy-3-(5-methoxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-en-1-yl]phenyl}oxidanesulfonic acid - 131832343 HMDB0125877 - NCGC00380900-01_C20H29NO12_2-{[6-O-(beta-D-Glucopyranosyl)-beta-D-glucopyranosyl]oxy}-2-phenylacetamide - 11248520 - - [3-hydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate - 129008871 - C00641 Carnitine C12:1 - 53481671 HMDB0013326 - [2-[4-Hydroxy-2,5-bis(hydroxymethyl)-3-(3-methylbutanoyloxy)oxolan-2-yl]oxy-6-(hydroxymethyl)-4,5-bis(2-methylpropanoyloxy)oxan-3-yl] decanoate - 45360062 - - S-(5-Deoxy-D-ribos-5-yl)-L-homocysteine - 24798681 - C03539 (2S)-2alpha-[(E)-2,4,5-Trimethoxystyryl]-3abeta-(4-methoxyphenyl)-6-methoxy-8,9abeta-dihydroxy-2,3,3a,9a-tetrahydro-9H-furo[3,2-b][1]benzopyran-9-one - 636874 - - N-(beta-D-glucosyl)nicotinate - 24771779 - - 8-Hydroxyeicosa-9,11,14-trienoic acid - 53394269 - - Cysteinyl-Methionine - 16657136 HMDB0028781 - (2R)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]amino]-4-methyl-pentanoic acid - 439299 - C00732 Osimertinib - 71496458 HMDB0248778 - Asn-Trp - 18218187 HMDB0028742 - Rotenone - - - C07593 Omarigliptin - 46209133 - - Ceritinib - 57379345 HMDB0249821 - Olmutinib - 54758501 - - 11alpha,15S-Dihydroxy-17S,20-dimethyl-9-oxoprosta-2E,13E-dien-1-oic acid - 73357588 - - 8-iso PGF3 - - - - 8-iso-17-phenyl trinor Prostaglandin F2 - - - - NSC250429 - 317610 - - PG(16:0/0:0)[U] - - - - 2,3-dinor,6-keto-PGF1 - - - - Val-Arg-Ala-Glu - - - - 17-U-46619 - 125462785 - - Lys-HoPhe-OH - - - - L-a-Lysophosphatidylserine - - - - Asn-Glu-Ile-Lys - - - - Thr-Lys-Pro-Arg - - - - Asp-Leu-Ala-Glu - - - - stigmast-5-en-3beta-ol 3-0-beta-D-glucopyranoside - - - - Nap-Abu-OH - - - - N-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotin - - - - Leu-Glu-Asp-Arg - - - - Asp-Tyr-Ile-Glu - - - - Arg-Thr-Ile-Glu - - - - Lys-Glu-Thr-Glu - - - - 19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5S,7S,9R,11,15R,hexamethyl-8-oxo-2E,10E,12E,16Z,18E-nonadecapentaenoic acid - 71684517 - - Val-Gln-Ala-Arg - - - - 19(R)-hydroxy-PGB2 - - - - Ile-His-Ala-Glu - - - - Leu-Glu-Tyr-Asp - - - - (1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one - 455262 HMDB0035813 - Misoprostol(free acid)-d5 - - - - His-Ser-Lys-Lys - - - - Carmamycin B - - - - Val-Ile-Asp-Lys - - - - Acetoxy-8-gingerol - - - - Ile-His-Asn-Glu - - - - Ala-Asn-Val-Asp - - - - TyrMe-Lys-OH - - - - Leu-Asp-Val-Lys-His - - - - Ile-Lys-Gln-Asp - - - - HoPhe-Gly-OH - - - - Asn-Ile-Arg-Asp - - - - Leu-Met-OH - - - - Stearidonoyl glycine - - - - Ile-Asp-Phe-Arg - - - - Ile-Abu-OH - - - - Phe4Cl-Tyr-OH - - - - Phe4Cl-Ile-OH - - - - PtdIns-(4,5)-P2(1,2-dioctanoyl) - 49867504 - - AL 8810 ethyl amide - - - - Asn-Thr-Asp-Arg - - - - His-Tyr-Gln-Asp - - - - Isorebaudioside A - - - - Ser-Leu-Lys-Glu - - - - Arg-Leu-Asn-Arg - - - - JWH 250 N-(5-carboxyxypentyl) metabolite - - - - Ser-Ala-Gln-Asp - - - - Acetoxy-6-gingerol - - - - Ile-Ala-Gln-Asp - - - - 6k-PGF1d4 - - - - Arg-Gly-Glu-Val-Leu - - - - Ser-HoPhe-OH - - - - Val-Ile-Leu-Asp - - - - Luminespib - 135539077 HMDB0254202 - Leu-Ser-Ala-Asp - - - - Val-His-Ile-Glu - - - - Val-Phe-Asp-Arg - - - - 15(S)-15-methyl PGF2 ethyl amide - - - - Ile-Ser-Val-Asp - - - - Thr-Ile-Lys-Glu - - - - AGC - 10063341 - - Asp-His-Phe-Asp - - - - Gal1-3[Fuc1-4]GlcNAc1-3Gal1-4GlcNAcSp - - - - Leu-Phe-Ala-Glu - - - - PtdIns-(5)-P1(1,2-dipalmitoyl) - 57347698 - - Leu-Asp-Glu-Lys - - - - Phe-Thr-Lys-Lys - - - - Thr-Asn-Ala-Asp - - - - Gal(1-3)[Fuc(1-2)]Gal(1-4)GlcSp - - - - Arg-Asn-Phe-Arg - - - - (5S,6R,7E,9E,11Z,14Z)-6-[(2S)-2-amino-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid - 51404801 HMDB0002200 - Val-Thr-Ile-Asp - - - - Thr-Glu-Leu-Lys - - - - GalNAc1-4GlcNAcSp - - - - Asn-Thr-Ile-Arg - - - - Neu5Ac2-6LacDiNAcSp - - - - Ser-Abu-OH - - - - His-Ser-Leu-Lys - - - - N-Valylphenylalanine - 144746 HMDB0255244 - Leu-Phe-Lys-Lys - - - - Val-Gln-Ile-Asp - - - - 5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid - - - - 19-hydroxy-17-oxoandrost-5-en-3-yl sulfate - - - - Tyr-TyrMe-OH - - - - Lys-Ala-Asn-Lys - - - - U-46619 Glycine methyl ester - - - - Leu-Ile-Ser-Glu - - - - Ala-Asp-Phe-Asp - - - - 17-phenoxy trinor Prostaglandin F2 - 35028626 - - Ile-Gln-Phe-Arg - - - - Val-Asp-Ile-Arg - - - - Malyngamide C acetate - 49782891 - - IRIFLOPHENONE TRIMETHYL ETHER - - - - Asn-Leu-Arg-Arg - - - - 7-HYDROXY-7-DESACETOXYKHIVORINIC ACID,METHYL ESTER - - - - METHIONYL-LEUCYLPHENYLALANINE - - - - 5(S),6(R)-Lipoxin A4-d5 - - - - Thr-Phe-Gln-Asp - - - - Val-His-Leu-Asp - - - - Phe4Cl-HoPhe-OH - - - - (5E,8E,11E,14E)-19-Hydroxyicosa-5,8,11,14-tetraenoic acid - 133226 HMDB0243622 - Ile-Asn-Val-Asp - - - - Val-Glu-Phe-Asp - - - - Abu-Asp-OH - - - - Tyrphostin A25 - 2061 HMDB0259357 - Ala-His-Tyr-Glu - - - - Ile-Arg-Asn-Asp - - - - Asn-Ser-Leu-Arg - - - - Ser-Ile-Arg-Arg - - - - Ser-Lys-Val-Glu - - - - Asp-Lys-Tyr-Asp - - - - Phe-Asp-Glu-Phe-Leu - - - - Nap-Tyr-OH - - - - Gal1-3Gal1-4GlcSp - - - - Ser-Thr-Asn-Glu - - - - Fuc1-2Gal1-4GlcNAcSp - - - - Ser-Nap-OH - - - - Ala-Lys-Asn-Glu - - - - Ser-His-Gln-Glu - - - - Val-Leu-Gln-Glu - - - - Nap-Gly-OH - - - - Leu-Glu-Cys-Glu - - - - Abu-Ser-OH - - - - 3-[(2S,3R,4S,5R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one - 139031044 HMDB0037745 - 14,15-Epoxyeicosa-5z-enoic acid - 53394468 HMDB0244590 - Ala-Val-Asp-Asp - - - - 13(S),14(S)-epoxy Fluprostenol isopropyl ester - - - - Nap-Asn-OH - - - - Arillatose B - 56776292 HMDB0125608 - Ala-Thr-Val-Glu - - - - 16-phenoxy tetranor PGF2 cyclopropyl methyl amide - - - - Ser-Leu-Asn-Arg - - - - Asn-Ile-Thr-Glu - - - - 5Androstan-3ol-17-one sulfate - - - - Phe-Abu-OH - - - - Ile-Ser-Thr-Glu - - - - Ser-Leu-Val-Glu - - - - TyrMe-Val-OH - - - - Angiotensin I/II (107) - - - - 1-heptadecanoyl-sn-glycerol 3-phosphate - - - - 3,16-DIDEOXYMEXICANOLIDE-3-DIOL - - - - Thr-Ile-Gln-Asp - - - - Val-Leu-Ser-Asp - - - - Ile-Phe-Asp-Arg - - - - 3-hydroxyandrost-5-en-17-one sulfate - - - - (2R)-3-(5-acetamido-2-hydroxyphenyl)sulfanyl-2-azaniumylpropanoate - 40428953 HMDB0240217 - Thr-Lys-Asn-Glu - - - - 4-hydroxy Nonenal Glutathione-d3 - - - - Phe-Asn-Ile-Glu - - - - 17-trifluoromethylphenyl-13,14-dihydro trinor PGF2 - - - - Phe-Val-His-Arg - - - - 4-hydroxy Nonenal Mercapturic Acid-d3 - - - - Celestrol methyl ester - 10004662 - - N-[(2-Hydroxy-1-hydroxymethyl)ethyl]-9alpha,11alpha,15R-trihydroxy-16-(3-trifluoromethyl)phenoxy)-17,18,19,20-tetranorprosta-5Z,13E-dien-1-amide - 91746439 - - Thr-Asp-Lys-Arg - - - - Arg-Ala-Leu-Lys - - - - PGF2 diethyl amide - - - - Thr-Val-Asp-Lys - - - - N-(3-amino-3-oxopropyl)-5-(dithiolan-3-yl)pentanamide - 118856241 - - PtdIns-(4)-P1(1,2-dioctanoyl) - 132285272 - - Asp-Abu-OH - - - - Thr-Arg-Tyr-Asp - - - - Asp-Lys-Thr-Glu - - - - Ser-His-Ala-Lys - - - - Ala-Ile-Asn-Glu - - - - Abu-His-OH - - - - Asp-Ala-Lys-Arg - - - - Ala-Val-Asn-Asp - - - - Thr-Ala-Val-Asp - - - - Ser-Asp-Thr-Glu - - - - Leu-Pro-Val-Leu-Glu - - - - Deacetoxy(7)-7-oxokhivorinic acid - 6708640 - - Lys-Leu-Arg-Asp - - - - 2,3-dinor Thromboxane B1 - 52921884 - - ISODUARTIN METHYL ETHER - - - - Lys-Arg-Leu-Glu - - - - Arg-Lys-Ala-Glu - - - - Asn-His-Phe-Asp - - - - Ser-Val-Arg-Glu - - - - Phe-Tyr-Leu-Glu - - - - tetranor-PGDM lactone - - - - Ser-Asn-Gln-Asp - - - - Ser-Gln-Asp-Glu - - - - Phe-His-Ile-Glu - - - - Phe-Ala-Arg-Asp - - - - 1,2-Dioleoyl-sn-glycero-3-phospho-(1'-myo-inositol) - - HMDB0009837 C00626 Auda - 10069117 HMDB0248721 - Tumonoic acid H - 25058105 - - Estradiol-17 3-sulfate - - - - Ile-Tyr-Val-Arg - - - - Asn-His-Val-Asp - - - - Thr-Tyr-Leu-Glu - - - - Lys-Ile-Arg-Asp - - - - Asp-Glu-Thr-Asp - - - - Lys-Gln-Asp-Lys - - - - methyl (13E)-11,16-dihydroxy-16-methyl-9-oxoprost-13-en-1-oate - 6030697 - - Abu-Ile-OH - - - - Val-Tyr-Asp-Arg - - - - Ser-Ala-Asp-Lys - - - - Val-Thr-Val-Leu-Val - - - - Lys-Phe-Asp-Lys - - - - 15-deoxy--12,14-PGJ2-d4 - - - - Ile-Thr-His-Asp - - - - Ser-Gln-Leu-Lys - - - - Thr-Lys-Ala-Glu - - - - Thr-Val-His-Lys - - - - Tumonoic acid G - 25058104 - - Ile-Leu-Leu-Gly-Ala - - - - Abu-Tyr-OH - - - - HoPhe-Phe-OH - - - - Hex2ulof( 2-6)Hex2ulof( 2-6)Hex( 1-2 )Hex2ulof - 25202930 - - DG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) - 53478042 HMDB0007148 C00641 DG(20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) - 53478305 HMDB0007525 C00641 DG(18:2(9Z,12Z)/24:1(15Z)/0:0) - 53478111 HMDB0007268 C00641 TG(14:0/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131753439 HMDB0042297 C00422 I(-) - - HMDB0059634 C05590 [(2S)-2,3-bis[[(Z)-tetradec-9-enoyl]oxy]propyl] (Z)-hexadec-9-enoate - 131758727 HMDB0047886 C00422 (2S)-2-azaniumyl-3-(7-chloro-1H-indol-3-yl)propanoate - 45266734 - - [(2S)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-tetradecanoyloxypropyl] (6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoate - 131753942 HMDB0042805 C00422 magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-4-oxo-11-propyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid - 124201682 - C21433 (3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one - 51136538 HMDB0038736 - Resveratrol - - - C03582 DG(20:2(11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) - 53478235 HMDB0007438 C00641 [(2S)-1-hydroxy-3-icosanoyloxypropan-2-yl] 19-methylicosanoate - 131802686 HMDB0094211 C00641 DG(20:4(5Z,8Z,11Z,14Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0) - 9543946 HMDB0007527 C00641 [(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-tetradecanoyloxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate - 131753471 HMDB0042329 C00422 5'-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5'-thioadenosine - 25246222 - - (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al - 5282320 HMDB0303974 C14045 (6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid - 134819281 HMDB0062363 - DG(20:0/20:4(8Z,11Z,14Z,17Z)/0:0) - 53478197 HMDB0007374 C00641 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) - 131753940 HMDB0042803 C00422 1-Erucoyl-2-arachidonyl-sn-glycerol - 53478394 HMDB0007629 C00641 (3beta,17alpha,23S)-17,23-Epoxy-3,28,29-trihydroxy-27-norlanost-8-en-24-one - 73816066 HMDB0035221 - DG(22:1(13Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) - 53478403 HMDB0007641 C00641 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycerol - 53478130 HMDB0007288 C00641 (+)-3-Hydroxylarreatricin - 71448995 - C20431 TG(10:0/14:0/a-17:0)[rac] - 131778424 HMDB0071620 C00422 Cinncassiol E - 46173972 HMDB0036857 C17659 (1S,9S)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene - 15978237 - - 4-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-2-azaniumylbutanoate - 50986259 - - TG(10:0/12:0/18:0) - 131779408 HMDB0072613 C00422 DG(18:0/20:3(5Z,8Z,11Z)/0:0) - 53478052 HMDB0007168 C00641 TG(20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z)) - 131764895 HMDB0054298 C00422 (3r,7r,11r,15r)-3,11-Bis[(5r)-2-amino-4,5-dihydro-1h-imidazol-5-yl]-7,15-dimethyl-1,9-dioxacyclohexadecane-2,10-dione - 135438603 - C09940 TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 131754006 HMDB0042869 C00422 DG(18:3(6Z,9Z,12Z)/20:2(11Z,14Z)/0:0) - 53478125 HMDB0007283 C00641 1-(3-Cyano-3,3-diphenylpropyl)-4-phenylpiperidin-1-ium-4-carboxylate - 25273607 - - TG(18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)/20:4(8Z,11Z,14Z,17Z)) - 131766005 HMDB0055484 C00422 12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d - 124201677 - C21429 DG(20:2(11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) - 9543852 HMDB0007431 C00641 Methyl (2R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2-carboxylate - 13890827 - C20371 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate - 131758952 HMDB0048111 C00422 TG(20:0/8:0/13:0) - 131771263 HMDB0063610 C00422 (1R,6R)-6-hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate - 5287432 HMDB0303951 C05817 DG(18:4(6Z,9Z,12Z,15Z)/20:0/0:0) - 53478168 HMDB0007339 C00641 Physalin I - 131751562 HMDB0034402 - 1-(9Z,12Z-octadecadienoyl)-2-docosanoyl-sn-glycerol - 9543833 HMDB0007260 C00641 Histidinyl-Asparagine - 9860193 HMDB0304779 - 6-(2-Amino-2-carboxyethyl)-7,8-dioxo-1,2,3,4,7,8-hexahydroquinoline-2,4-dicarboxylic acid - 11954214 - - TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z)) - 131753945 HMDB0042808 C00422 [(1S,4aS,7S,7aR)-4-(acetyloxymethyl)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl] 3-methylbutanoate - 101681746 HMDB0040980 - TG(14:0/20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)) - 131753792 HMDB0042655 C00422 TG(14:0/18:4(6Z,9Z,12Z,15Z)/22:4(7Z,10Z,13Z,16Z)) - 131753939 HMDB0042802 C00422 Meliantriol - 101650343 - - TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 131764657 HMDB0054032 C00422 TG(14:0/18:4(6Z,9Z,12Z,15Z)/18:3(6Z,9Z,12Z)) - 131753934 HMDB0042797 C00422 TG(18:3(9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z)) - 131765703 HMDB0055163 C00422 1-(8Z,11Z,14Z-eicosatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol - 9543941 HMDB0007498 C00641 TG(20:4(5Z,8Z,11Z,14Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z)) - 131764656 HMDB0054031 C00422 TG(10:0/12:0/14:0) - 131777922 HMDB0071114 C00422 11-hydroxy-15-methoxy-6,8,20-trioxapentacyclo[10.8.0.0(2),.0(3),.0(1),(1)]icosa-1(12),2(9),10,14,16,18-hexaen-13-one - 131835187 HMDB0128892 - tetraHCA - 13991770 HMDB0062534 - 1-(8Z,11Z,14Z-eicosatrienoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol - 9543927 HMDB0007495 C00641 3-Hydroxy-2-methylpyridine-4,5-dicarboxylate - 54683777 - - (20S)-Cholesta-5-ene-3beta,17,20-triol - 21145112 HMDB0006764 C05499 3alpha,7alpha,12alpha,25-Tetrahydroxy-5beta-cholestane-24-one - 131769842 HMDB0060137 - DG(20:3(8Z,11Z,14Z)/18:3(9Z,12Z,15Z)/0:0) - 53478277 HMDB0007482 C00641 (10Z)-17-(4-amino-3-methylbutyl)-9,27-dihydroxy-6,10,13,27-tetramethyl-22-methylidene-14-(4-methyl-5-oxo-2H-furan-2-yl)-28,29,30-trioxapentacyclo[22.3.1.11,4.14,7.012,17]triaconta-10,13-dien-18-one - 102593591 HMDB0030494 - TG(16:1(9Z)/22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) - 131759725 HMDB0048913 C00422 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate - 131758947 HMDB0048106 C00422 DG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) - 9543842 HMDB0007375 C00641 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate - 131758954 HMDB0048113 C00422 (1R,2S,4S,6R,7S,8R,9S,12S,13S,18S)-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]-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosan-16-one - 102444970 HMDB0030337 - 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside - 85228900 HMDB0036400 - DG(20:4(5Z,8Z,11Z,14Z)/24:1(15Z)/0:0) - 53478307 HMDB0007529 C00641 TG(20:0/20:5(5Z,8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131757123 HMDB0046175 C00422 (3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol - 131751225 HMDB0031963 - DG(20:4(5Z,8Z,11Z,14Z)/24:0/0:0) - 53478306 HMDB0007528 C00641 Tryptophylasparagine - 18218248 HMDB0029078 - TG(10:0/18:0/16:0) - 131779506 HMDB0072712 C00422 DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z)/0:0) - 53478300 HMDB0007514 C00641 Charine - 137199997 HMDB0039877 - TG(10:0/18:0/15:0) - 131779511 HMDB0072717 C00422 DG(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)/0:0) - 9543872 HMDB0007518 C00641 DG(20:4(5Z,8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)/0:0) - 53478298 HMDB0007512 C00641 5-Hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate - 443736 HMDB0301917 C12248 (1S,4aS,7S,7aR)-7-methyl-1-[(2S,3R,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid - 118701456 HMDB0037028 C11647 TG(10:0/12:0/i-14:0) - 131779568 HMDB0072774 C00422 TG(10:0/10:0/18:0) - 98117769 HMDB0071703 C00422 1-(11Z-eicosenoyl)-2-docosanoyl-sn-glycerol - 9543875 HMDB0007405 C00641 [(2S)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate - 131758945 HMDB0048104 C00422 [(2S)-3-hydroxy-2-(14-methylhexadecanoyloxy)propyl] docosanoate - 131802816 HMDB0094472 C00641 [(9E,11S,12R,13R,14R,15R,16R,17S,18S,19E,21Z)-2,11,15,17,27,29-hexahydroxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate - 11954039 - - 12alpha-Hydroxy-13,18-dehydroparain - 73081379 HMDB0039557 - (24E)-15alpha-Acetoxy-3alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid - 131751734 HMDB0035387 - 5,18-Dihydroxy-1,14,21,25-tetramethyl-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,10-diene-13,19,24,27-tetrone - 15609522 HMDB0034342 - TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)) - 131765738 HMDB0055200 C00422 (1S,12S,13S,14S,15E)-15-ethylidene-3,17-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-13-carbaldehyde - 5281960 - - 1-(13Z-docosenoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol - 9543962 HMDB0007643 C00641 TG(10:0/12:0/a-13:0)[rac] - 131778194 HMDB0071388 C00422 1-(6Z,9Z,12Z-octadecatrienoyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol - 53478137 HMDB0007295 C00641 11beta,12alpha-Diacetoxyneotecleanin - 641710 - - Ser-Glu-Val-Lys-Met - - - - (1R,13S,14Z,19S,21S)-14-(2-hydroxyethylidene)-4,5-dimethoxy-8,16-diazahexacyclo[11.5.2.11,8.02,7.016,19.012,21]henicosa-2,4,6,11-tetraen-9-one - 101532796 - - TG(18:0/22:2(13Z,16Z)/o-18:0) - 131756238 HMDB0045234 C00422 Val-Ser-Thr-Asp - - - - Lys-Ser-Asp-Glu-Met - - - - Z-Val-Ala-Asp-AMC - - - - magnesium - 54749448 - - 12-Ethyl-8-isobutylbacteriochlorophyllide e - 122706336 - - Leu-Ser-Phe-Met-Gln - - - - N,N,Diacetyl-Lys-DAla-DAla - - - - (4aR)-3-Methyl-5-methylene-6beta-(beta-D-glucopyranosyloxy)-8abeta-methyl-9abeta-hydroxy-2,4,4aalpha,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-2-one - 10928051 - - TG(22:0/20:3(5Z,8Z,11Z)/o-18:0) - 131757489 HMDB0046580 C00422 [(1R,2R,6R,10S,11R,13S,15R,17R)-13-Benzyl-6-hydroxy-4,17-dimethyl-5-oxo-15-prop-1-en-2-yl-12,14,18-trioxapentacyclo[11.4.1.01,10.02,6.011,15]octadeca-3,8-dien-8-yl]methyl 2-(3-hydroxy-5-methoxyphenyl)acetate - 94865759 - - 1-[5-[[(2E)-3,7-dimethylocta-2,6-dienoxy]methyl]-3,4-dihydroxyoxolan-2-yl]pyrimidine-2,4-dione - 91939764 - - Asn-Leu-Pro-Ala-Lys - - - - Naphyrone 1-naphthyl isomer (hydrochloride) - 11702467 - - S,R-Noscapine - - - C09592 Trp-Leu-Lys-Ser-Asn - - - - Tyr-HoPhe-OH - - - - 2-(3-Hydroxy-4,5-dimethoxyphenyl)-5-[8-hydroxy-7-methoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-5-yl]-7-methoxy-3,4-dihydro-2H-1-benzopyran-8-ol - 75072286 HMDB0040319 - (1R,4aR)-8,8-dimethyl-2-oxospiro[4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylate - 90658142 - - PyroGlu-Met-Arg - - - - Dye X-732-100Ea - - - - [1-[[(2S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]azanium - 25245802 - - Leu-Arg-Gly-Pro-Ser - - - - Leu-Ile-Pro-Leu-Leu - - - - Val-Gln-Met-Met-Thr - - - - N-[(3s,5s,7s)-Adamantan-1-yl]-1-(5-fluoro-4-hydroxypentyl)-1H-indazole-3-carboxamide - - - - 3,4,8,9,10-pentahydroxy-6-oxo-7-{5,11,12,13-tetrahydroxy-4-[1-hydroxy-2-(sulfooxy)ethyl]-8-oxo-3,7-dioxatricyclo[7.4.0.0(2),]trideca-1(13),9,11-trien-10-yl}-6H-benzo[c]chromene-1-carboxylic acid - 131835771 HMDB0129524 - (2R,4R)-tert-butyl 2-phenyl-4-vinylthiazolidine-3-carboxylate - - - - Lys-Phe-Leu-Glu - - - - 7-{4-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3,5-dimethoxyphenyl}-6,11-dihydroxy-3-(4-hydroxyphenyl)-2lambda8-dioxatricyclo[7.3.1.0,(1)(3)]trideca-1(13),2,4,6,9,11-hexaen-2-ylium - - HMDB0134843 - [(2R,3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl] [[(2R,3S,4R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate - 44237351 - - (1R)-2,3,3a,8b-Tetrahydro-1alpha-acetoxy-8bbeta-hydroxy-6,8-dimethoxy-3abeta-(4-methoxyphenyl)-3beta-phenyl-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester - 10530360 - - 2-Naphthalenecarboxamide, 1-hydroxy-N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]- - 73438566 - - Phe-Asp-Phe-Gln-Asn - - - - 3-ET-5-(2-(3-Ethyl-thiazolidin-2-ylidene)-ethylidene)-2-thioxo-thiazolidin-4-one - 22301063 - - 2,3,4,7,8,9,15,22,23,28-decahydroxy-14-(hydroxymethyl)-13,25,32,35-tetraoxaoctacyclo[14.13.3.3(1),(2).0,(3).0,(1)(1).0(1),(2).0(1),(2).0(2),(3)(3)]pentatriaconta-1,3,5(30),6,8,10,19(24),20,22,28-decaene-12,27,31,34-tetrone - 131838393 HMDB0134686 - TG(15:0/22:0/22:4(7Z,10Z,13Z,16Z)) - 131754253 HMDB0043125 C00422 Uridine-5'-diphosphate-glucose 133-89-1 8629 HMDB0000286 C00029 Salicylanilide 87-17-2 6872 - C18915 Xanthotoxol 2009-24-7 65090 HMDB0029457 C00841 METABOLITES_END #END